0 B12R1.30 C#CCCC(=O)c1ccccc1 1458a_100000185807_100000753159 [0,0,0,0,0,0|1,0,2]=3 1 B12R1.30 C#CCNC(=O)c1ccccc1 11a_100000212058_100000185807 [0,0,0,0,0,0|1,0,2]=3 2 B12R1.30 C#CCNC(=O)c1ccccc1 1626a_100000212058_100000185807 [0,0,0,0,0,0|1,0,2]=3 3 B12R1.30 C#CCNC(=O)c1ccccc1 240690a_100000212058_100000185807 [0,0,0,0,0,0|1,0,2]=3 4 B12R1.30 C#CCNC(=O)c1ccccc1 527a_100000212058_100000185807 [0,0,0,0,0,0|1,0,2]=3 5 B12R1.30 C#CCOC(C)c1ccccc1 34a_100000210247_100000211855 [0,0,0,0,0,0|1,0,3]=4 6 B12R1.30 C#CCO[C@H](C)c1ccccc1 34a_100000761318_100000184674 [0,0,0,0,0,0|1,0,3]=4 7 B12R1.30 C#CCO[C@H](C)c1ccccc1 7a_100000761318_100000038162 [0,0,0,0,0,0|1,0,3]=4 8 B12R1.30 C/C=C/CC(=O)c1ccccc1 1458a_100000185807_100102629194 [0,0,0,0,0,0|1,0,2]=3 9 B12R1.30 C=CCCC(=O)c1ccccc1 1458a_100000185807_100000754431 [0,0,0,0,0,0|1,0,2]=3 10 B12R1.30 C=CCNC(=O)c1ccccc1 1626a_100020586998_100000185807 [0,0,0,0,0,0|1,0,2]=3 11 B12R1.30 C=CCNC(=O)c1ccccc1 240690a_100020586998_100000185807 [0,0,0,0,0,0|1,0,2]=3 12 B12R1.30 C=CCNC(=O)c1ccccc1 527a_100020586998_100000185807 [0,0,0,0,0,0|1,0,2]=3 13 B12R1.30 C=CCOC(C)c1ccccc1 34a_200000210373_100000211855 [0,0,0,0,0,0|1,0,3]=4 14 B12R1.30 C=CCO[C@H](C)c1ccccc1 34a_100000761318_100015514636 [0,0,0,0,0,0|1,0,3]=4 15 B12R1.30 C=CCO[C@H](C)c1ccccc1 7a_100000761318_100015514636 [0,0,0,0,0,0|1,0,3]=4 16 B12R1.30 CC#CCC(=O)c1ccccc1 1458a_100000185807_100000748600 [0,0,0,0,0,0|1,0,2]=3 17 B12R1.30 CC(NCCF)c1ccccc1 269862a_100000724931_100000185851 [0,0,0,0,0,0|3,0,1]=4 18 B12R1.30 CC(NCCF)c1ccccc1 34a_100000724931_100000211855 [0,0,0,0,0,0|3,0,1]=4 19 B12R1.30 CC(NCCO)c1ccccc1 2230a_100016997473_100000230085 [0,0,0,0,0,0|3,0,1]=4 20 B12R1.30 CC(NCCO)c1ccccc1 269862a_100000210304_100000185851 [0,0,0,0,0,0|3,0,1]=4 21 B12R1.30 CC(NCCO)c1ccccc1 34a_100016990907_100000211855 [0,0,0,0,0,0|3,0,1]=4 22 B12R1.30 CC(OCCBr)c1ccccc1 34a_100000211926_100000211855 [0,0,0,0,0,0|2,0,1]=3 23 B12R1.30 CC(OCCN)c1ccccc1 34a_100000210304_100000211855 [0,0,0,0,0,0|2,0,1]=3 24 B12R1.30 CC(SCCF)c1ccccc1 62a_100000230085_100011217306 [0,0,0,0,0,0|2,1,1]=4 25 B12R1.30 CC(SCCF)c1ccccc1 62a_100011217306_100000230085 [0,0,0,0,0,0|2,1,1]=4 26 B12R1.30 CC(SCCO)c1ccccc1 62a_100000211926_100000230085 [0,0,0,0,0,0|2,1,1]=4 27 B12R1.30 CC(SCCO)c1ccccc1 62a_100000230085_100000211926 [0,0,0,0,0,0|2,1,1]=4 28 B12R1.30 CC=CCC(=O)c1ccccc1 1458a_100000185807_100000070051 [0,0,0,0,0,0|1,0,2]=3 29 B12R1.30 CC=NNC(=O)c1ccccc1 4a_100000184135_200000210099 [0,0,0,0,0,0|2,0,1]=3 30 B12R1.30 CC=NNC(=O)c1ccccn1 4a_100000184044_200000210099 [0,0,0,0,0,0|3,0,1]=4 31 B12R1.30 CC=NNC(=O)c1cccnc1 4a_100000189771_200000210099 [0,0,0,0,0,0|3,0,1]=4 32 B12R1.30 CC=NNC(=O)c1ccncc1 4a_100000189768_200000210099 [0,0,0,0,0,0|3,0,1]=4 33 B12R1.30 CCCCC(=O)c1ccccc1 1458a_100000185807_100000210211 [0,0,0,0,0,0|1,0,0]=1 34 B12R1.30 CCCCN(C)c1ccccc1 2230a_100000210012_100000210211 [0,0,0,0,0,0|3,0,0]=3 35 B12R1.30 CCCCN(C)c1ccccc1 2230a_100000211623_200000210301 [0,0,0,0,0,0|3,0,0]=3 36 B12R1.30 CCCCN(C)c1ccccc1 269982a_100000210012_100000210211 [0,0,0,0,0,0|3,0,0]=3 37 B12R1.30 CCCCN(C)c1ccccc1 269982a_100000211623_200000210301 [0,0,0,0,0,0|3,0,0]=3 38 B12R1.30 CCCCN(C)c1ccccc1 34a_100000210012_100000210210 [0,0,0,0,0,0|3,0,0]=3 39 B12R1.30 CCCCN(C)c1ccccc1 34a_100000211623_200000210301 [0,0,0,0,0,0|3,0,0]=3 40 B12R1.30 CCCCN([13CH3])c1ccccc1 2230a_100000211623_200025704644 [0,0,0,0,0,0|3,0,0]=3 41 B12R1.30 CCCCN([13CH3])c1ccccc1 269982a_100000211623_200025704644 [0,0,0,0,0,0|3,0,0]=3 42 B12R1.30 CCCCN([13CH3])c1ccccc1 34a_100000211623_200025704644 [0,0,0,0,0,0|3,0,0]=3 43 B12R1.30 CCCNC(=O)c1ccccc1 11a_100020643023_100000185807 [0,0,0,0,0,0|1,0,0]=1 44 B12R1.30 CCCNC(=O)c1ccccc1 1626a_100020643023_100000185807 [0,0,0,0,0,0|1,0,0]=1 45 B12R1.30 CCCNC(=O)c1ccccc1 240690a_100020643023_100000185807 [0,0,0,0,0,0|1,0,0]=1 46 B12R1.30 CCCNC(=O)c1ccccc1 527a_100020643023_100000185807 [0,0,0,0,0,0|1,0,0]=1 47 B12R1.30 CCCNC(C)c1ccccc1 269862a_100020643023_100000185851 [0,0,0,0,0,0|2,0,1]=3 48 B12R1.30 CCCNC(C)c1ccccn1 2230a_100000181244_100000210303 [0,0,0,0,0,0|3,0,1]=4 49 B12R1.30 CCCNC(C)c1ccccn1 269862a_100020643023_100000210467 [0,0,0,0,0,0|3,0,1]=4 50 B12R1.30 CCCNC(C)c1cccnc1 2230a_100000195435_100000210303 [0,0,0,0,0,0|3,0,1]=4 51 B12R1.30 CCCNC(C)c1cccnc1 269862a_100020643023_100000210468 [0,0,0,0,0,0|3,0,1]=4 52 B12R1.30 CCCNC(C)c1ccncc1 2230a_100000181269_100000210303 [0,0,0,0,0,0|3,0,1]=4 53 B12R1.30 CCCNC(C)c1ccncc1 269862a_100020643023_100000185792 [0,0,0,0,0,0|3,0,1]=4 54 B12R1.30 CCCN[C@H](C)c1ccccc1 2230a_100000751104_100000210303 [0,0,0,0,0,0|2,0,1]=3 55 B12R1.30 CCCOC(C)c1ccccc1 34a_100000210258_100000211855 [0,0,0,0,0,0|1,0,1]=2 56 B12R1.30 CCCO[C@H](C)c1ccccc1 34a_100000761318_100000210303 [0,0,0,0,0,0|1,0,1]=2 57 B12R1.30 CCCO[C@H](C)c1ccccc1 7a_100000761318_100000210303 [0,0,0,0,0,0|1,0,1]=2 58 B12R1.30 CCCSC(C)c1ccccc1 62a_100000210303_100000230085 [0,0,0,0,0,0|1,1,1]=3 59 B12R1.30 CCCSC(C)c1ccccc1 62a_100000230085_100000210303 [0,0,0,0,0,0|1,1,1]=3 60 B12R1.30 CCNCC(C)c1ccccc1 2230a_100000701038_100000210202 [0,0,0,0,0,0|3,0,1]=4 61 B12R1.30 CCNCC(C)c1ccccc1 2230a_100015525214_100000756946 [0,0,0,0,0,0|3,0,1]=4 62 B12R1.30 CCNCC(C)c1ccccc1 270004a_100015525214_100000212034 [0,0,0,0,0,0|3,0,1]=4 63 B12R1.30 CCNCC(C)c1ccccc1 34a_100000701038_100000210202 [0,0,0,0,0,0|3,0,1]=4 64 B12R1.30 CCNCC(O)c1ccccc1 2230a_100000210709_100000210202 [0,0,0,0,0,0|2,0,2]=4 65 B12R1.30 CCNCC(O)c1ccccc1 2230a_100015525214_100000185958 [0,0,0,0,0,0|2,0,2]=4 66 B12R1.30 CCNC[C@@H](O)c1ccccc1 2230a_100015525214_100011933945 [0,0,0,0,0,0|2,0,2]=4 67 B12R1.30 CCNN=C(C)c1ccccc1 4a_100000756455_100000185851 [0,0,0,0,0,0|3,0,0]=3 68 B12R1.30 CCNN=C(C)c1ccccn1 4a_100000756455_100000210467 [0,0,0,0,0,0|4,0,0]=4 69 B12R1.30 CCNN=C(C)c1cccnc1 4a_100000756455_100000210468 [0,0,0,0,0,0|4,0,0]=4 70 B12R1.30 CCNN=C(C)c1ccncc1 4a_100000756455_100000185792 [0,0,0,0,0,0|4,0,0]=4 71 B12R1.30 CCNNC(=O)c1ccccc1 22a_100000756455_100000185807 [0,0,0,0,0,0|2,0,0]=2 72 B12R1.30 CCOCC(=O)c1ccccn1 34a_100121572206_100000027445 [0,0,0,0,0,0|3,0,0]=3 73 B12R1.30 CCOCC(C)c1ccccc1 34a_100011215166_100000210202 [0,0,0,0,0,0|3,0,1]=4 74 B12R1.30 CCOCC(C)c1ccccc1 34a_100121572206_100000756946 [0,0,0,0,0,0|3,0,1]=4 75 B12R1.30 CCOCC(C)c1ccccc1 7a_100011215166_100000210202 [0,0,0,0,0,0|3,0,1]=4 76 B12R1.30 CCOCC(O)c1ccccc1 34a_100121572206_100000185958 [0,0,0,0,0,0|2,0,2]=4 77 B12R1.30 CCOCN(C)c1ccccc1 269982a_100000210012_100000739092 [0,0,0,0,0,0|4,0,0]=4 78 B12R1.30 CCOC[C@@H](N)c1ccccc1 34a_100000751927_100000210202 [0,0,0,0,0,0|3,0,1]=4 79 B12R1.30 CCOC[C@@H](O)c1ccccc1 34a_100121572206_100011933945 [0,0,0,0,0,0|2,0,2]=4 80 B12R1.30 CCSCC(=O)c1ccccc1 62a_100000210202_100000211460 [0,0,0,0,0,0|2,0,0]=2 81 B12R1.30 CCSCC(=O)c1ccccc1 62a_100000211460_100000210202 [0,0,0,0,0,0|2,0,0]=2 82 B12R1.30 CCSCC(=O)c1ccccn1 62a_100000027445_100000210202 [0,0,0,0,0,0|3,0,0]=3 83 B12R1.30 CCSCC(=O)c1ccccn1 62a_100000210202_100000027445 [0,0,0,0,0,0|3,0,0]=3 84 B12R1.30 CCSCC(=O)c1cccnc1 62a_100000210202_100000757877 [0,0,0,0,0,0|3,0,0]=3 85 B12R1.30 CCSCC(=O)c1cccnc1 62a_100000757877_100000210202 [0,0,0,0,0,0|3,0,0]=3 86 B12R1.30 CCSCC(=O)c1ccncc1 62a_100000027454_100000210202 [0,0,0,0,0,0|3,0,0]=3 87 B12R1.30 CCSCC(=O)c1ccncc1 62a_100000210202_100000027454 [0,0,0,0,0,0|3,0,0]=3 88 B12R1.30 CCSCC(=O)c1ncccn1 62a_100000210202_100020636365 [0,0,0,0,0,0|4,0,0]=4 89 B12R1.30 CCSCC(=O)c1ncccn1 62a_100020636365_100000210202 [0,0,0,0,0,0|4,0,0]=4 90 B12R1.30 CCSCC(C)c1ccccc1 62a_100000210202_100000756946 [0,0,0,0,0,0|3,0,1]=4 91 B12R1.30 CCSCC(C)c1ccccc1 62a_100000756946_100000210202 [0,0,0,0,0,0|3,0,1]=4 92 B12R1.30 CCSCC(O)c1ccccc1 62a_100000185958_100000210202 [0,0,0,0,0,0|2,0,2]=4 93 B12R1.30 CCSCC(O)c1ccccc1 62a_100000210202_100000185958 [0,0,0,0,0,0|2,0,2]=4 94 B12R1.30 CCSCS(=O)c1ccccc1 62a_100000210202_100000031784 [0,0,0,0,0,0|3,0,0]=3 95 B12R1.30 CCSC[C@@H](O)c1ccccc1 62a_100000210202_100011933945 [0,0,0,0,0,0|2,0,2]=4 96 B12R1.30 CCSC[C@@H](O)c1ccccc1 62a_100011933945_100000210202 [0,0,0,0,0,0|2,0,2]=4 97 B12R1.30 CN(CCCF)c1ccccc1 2230a_100000210012_100011934791 [0,0,0,0,0,0|4,0,0]=4 98 B12R1.30 CN(CCCF)c1ccccc1 269982a_100000210012_100011934791 [0,0,0,0,0,0|4,0,0]=4 99 B12R1.30 CN(CCCF)c1ccccc1 34a_100000210012_100011934791 [0,0,0,0,0,0|4,0,0]=4 100 B12R1.30 CN(CCCO)c1ccccc1 2230a_100000210012_100000230001 [0,0,0,0,0,0|4,0,0]=4 101 B12R1.30 CN(CCCO)c1ccccc1 2230a_100000212590_200000210301 [0,0,0,0,0,0|4,0,0]=4 102 B12R1.30 CN(CCCO)c1ccccc1 269982a_100000210012_100011215043 [0,0,0,0,0,0|4,0,0]=4 103 B12R1.30 CN(CCCO)c1ccccc1 269982a_100000212590_200000210301 [0,0,0,0,0,0|4,0,0]=4 104 B12R1.30 CN(CCCO)c1ccccc1 34a_100000210012_100000230001 [0,0,0,0,0,0|4,0,0]=4 105 B12R1.30 CN(CCCO)c1ccccc1 34a_100000212590_200000210301 [0,0,0,0,0,0|4,0,0]=4 106 B12R1.30 CNCCC(=O)c1ccccc1 2230a_106832991635_100000750707 [0,0,0,0,0,0|2,0,0]=2 107 B12R1.30 CNCCC(=O)c1ccccc1 7a_106832991635_100000750707 [0,0,0,0,0,0|2,0,0]=2 108 B12R1.30 CNCCC(C)c1ccccc1 270004a_106832991635_100000189432 [0,0,0,0,0,0|3,0,1]=4 109 B12R1.30 CNCCC(O)c1ccccc1 2230a_100000763605_200000210301 [0,0,0,0,0,0|2,0,2]=4 110 B12R1.30 CNCCS(=O)c1ccccc1 2230a_106832991635_100000740319 [0,0,0,0,0,0|3,0,0]=3 111 B12R1.30 CNCCS(=O)c1ccccc1 7a_106832991635_100000740319 [0,0,0,0,0,0|3,0,0]=3 112 B12R1.30 CNCC[C@@H](O)c1ccccc1 2230a_106832991635_100000729684 [0,0,0,0,0,0|2,0,2]=4 113 B12R1.30 CNCC[C@@H](O)c1ccccc1 34a_100102657272_100000729684 [0,0,0,0,0,0|2,0,2]=4 114 B12R1.30 CNCC[C@@H](O)c1ccccc1 7a_106832991635_100000729684 [0,0,0,0,0,0|2,0,2]=4 115 B12R1.30 CNCOC(=O)c1ccccc1 7a_106832991635_100000073877 [0,0,0,0,0,0|1,0,0]=1 116 B12R1.30 COCCC(=O)c1ccccc1 1458a_100000185807_100000233755 [0,0,0,0,0,0|2,0,0]=2 117 B12R1.30 COCCN(C)c1ccccc1 2230a_100000210012_100011201679 [0,0,0,0,0,0|4,0,0]=4 118 B12R1.30 COCCN(C)c1ccccc1 269982a_100000210012_100000233755 [0,0,0,0,0,0|4,0,0]=4 119 B12R1.30 COCCN(C)c1ccccc1 34a_100000210012_100011201679 [0,0,0,0,0,0|4,0,0]=4 120 B12R1.30 COCC[C@@H](O)c1ccccc1 34a_100138415774_100000729684 [0,0,0,0,0,0|2,0,2]=4 121 B12R1.30 COCC[C@H](N)c1ccccc1 34a_100025705951_200000210301 [0,0,0,0,0,0|3,0,1]=4 122 B12R1.30 COCN[C@H](C)c1ccccc1 2230a_100000751104_100000766300 [0,0,0,0,0,0|3,0,1]=4 123 B12R1.30 COCSC(C)c1ccccc1 62a_100000230085_100000766300 [0,0,0,0,0,0|2,1,1]=4 124 B12R1.30 COCSC(C)c1ccccc1 62a_100000766300_100000230085 [0,0,0,0,0,0|2,1,1]=4 125 B12R1.30 CSCCC(=O)c1ccccc1 1458a_100000185807_100000751147 [0,0,0,0,0,0|2,0,0]=2 126 B12R1.30 CSCCC(=O)c1ccccc1 62a_100000750707_200000210301 [0,0,0,0,0,0|2,0,0]=2 127 B12R1.30 CSCCC(=O)c1ccccc1 62a_200000210301_100000750707 [0,0,0,0,0,0|2,0,0]=2 128 B12R1.30 CSCCN(C)c1ccccc1 2230a_100000210012_100000751147 [0,0,0,0,0,0|4,0,0]=4 129 B12R1.30 CSCCN(C)c1ccccc1 269982a_100000210012_100000212216 [0,0,0,0,0,0|4,0,0]=4 130 B12R1.30 CSCCN(C)c1ccccc1 34a_100000210012_100000212216 [0,0,0,0,0,0|4,0,0]=4 131 B12R1.30 CSCCS(=O)c1ccccc1 62a_200000210301_100000740319 [0,0,0,0,0,0|3,0,0]=3 132 B12R1.30 CSCC[C@@H](O)c1ccccc1 62a_100000729684_200000210301 [0,0,0,0,0,0|2,0,2]=4 133 B12R1.30 CSCC[C@@H](O)c1ccccc1 62a_200000210301_100000729684 [0,0,0,0,0,0|2,0,2]=4 134 B12R1.30 CSCN[C@H](C)c1ccccc1 2230a_100000751104_100011218213 [0,0,0,0,0,0|3,0,1]=4 135 B12R1.30 CSCOC(=O)c1ccccc1 62a_100000073877_200000210301 [0,0,0,0,0,0|1,0,0]=1 136 B12R1.30 CSCOC(=O)c1ccccc1 62a_200000210301_100000073877 [0,0,0,0,0,0|1,0,0]=1 137 B12R1.30 CSCO[C@H](C)c1ccccc1 34a_100000761318_100011218213 [0,0,0,0,0,0|2,0,1]=3 138 B12R1.30 CSCSC(C)c1ccccc1 62a_100000230085_100011218213 [0,0,0,0,0,0|2,1,1]=4 139 B12R1.30 CSCSC(C)c1ccccc1 62a_100011218213_100000230085 [0,0,0,0,0,0|2,1,1]=4 140 B12R1.30 C[C@@H](NCCF)c1ccccc1 2230a_100000751104_100011217306 [0,0,0,0,0,0|3,0,1]=4 141 B12R1.30 C[C@@H](NCCO)c1ccccc1 2230a_100000751104_100000211926 [0,0,0,0,0,0|3,0,1]=4 142 B12R1.30 C[C@@H](OCC#N)c1ccccc1 7a_100000761318_100011215382 [0,0,0,0,0,0|2,0,2]=4 143 B12R1.30 C[C@@H](OCC=O)c1ccccc1 34a_100000761318_200009817547 [0,0,0,0,0,0|2,0,2]=4 144 B12R1.30 C[C@@H](OCC=O)c1ccccc1 7a_100000761318_200015260668 [0,0,0,0,0,0|2,0,2]=4 145 B12R1.30 C[C@@H](OCCF)c1ccccc1 34a_100000761318_100011217306 [0,0,0,0,0,0|2,0,1]=3 146 B12R1.30 C[C@@H](OCCF)c1ccccc1 7a_100000761318_100011217306 [0,0,0,0,0,0|2,0,1]=3 147 B12R1.30 C[C@@H](OCCO)c1ccccc1 34a_100000761318_100000211926 [0,0,0,0,0,0|2,0,1]=3 148 B12R1.30 C[C@@H](OCCO)c1ccccc1 7a_100000761318_100000211926 [0,0,0,0,0,0|2,0,1]=3 149 B12R1.30 N#CCCC(=O)c1ccccc1 1458a_100000185807_100011215226 [0,0,0,0,0,0|2,0,1]=3 150 B12R1.30 N#CCNC(=O)c1ccccc1 1626a_100000734998_100000185807 [0,0,0,0,0,0|2,0,1]=3 151 B12R1.30 N#CCNC(=O)c1ccccc1 527a_100000734998_100000185807 [0,0,0,0,0,0|2,0,1]=3 152 B12R1.30 O=C(CCCF)c1ccccc1 1458a_100000185807_100011934791 [0,0,0,0,0,0|2,0,0]=2 153 B12R1.30 O=C(CCCO)c1ccccc1 1458a_100000185807_100011215043 [0,0,0,0,0,0|2,0,0]=2 154 B12R1.30 O=C(CSCF)c1ccccc1 62a_100000211460_100015361967 [0,0,0,0,0,0|3,0,0]=3 155 B12R1.30 O=C(CSCF)c1ccccc1 62a_100015361967_100000211460 [0,0,0,0,0,0|3,0,0]=3 156 B12R1.30 O=C(CSCF)c1ccccn1 62a_100000027445_100015361967 [0,0,0,0,0,0|4,0,0]=4 157 B12R1.30 O=C(CSCF)c1ccccn1 62a_100015361967_100000027445 [0,0,0,0,0,0|4,0,0]=4 158 B12R1.30 O=C(CSCF)c1cccnc1 62a_100000757877_100015361967 [0,0,0,0,0,0|4,0,0]=4 159 B12R1.30 O=C(CSCF)c1cccnc1 62a_100015361967_100000757877 [0,0,0,0,0,0|4,0,0]=4 160 B12R1.30 O=C(CSCF)c1ccncc1 62a_100000027454_100015361967 [0,0,0,0,0,0|4,0,0]=4 161 B12R1.30 O=C(CSCF)c1ccncc1 62a_100015361967_100000027454 [0,0,0,0,0,0|4,0,0]=4 162 B12R1.30 O=C(NCCF)c1ccccc1 11a_100000724931_100000185807 [0,0,0,0,0,0|2,0,0]=2 163 B12R1.30 O=C(NCCF)c1ccccc1 1626a_100000724931_100000185807 [0,0,0,0,0,0|2,0,0]=2 164 B12R1.30 O=C(NCCF)c1ccccc1 240690a_100000724931_100000185807 [0,0,0,0,0,0|2,0,0]=2 165 B12R1.30 O=C(NCCF)c1ccccc1 527a_100000724931_100000185807 [0,0,0,0,0,0|2,0,0]=2 166 B12R1.30 O=C(NCCO)c1ccccc1 240690a_100000210304_100000185807 [0,0,0,0,0,0|2,0,0]=2 167 B12R1.30 O=C(NCCO)c1ccccc1 527a_100000210304_100000185807 [0,0,0,0,0,0|2,0,0]=2 168 B12R1.30 O=S(CSCF)c1ccccc1 62a_100015361967_100000031784 [0,0,0,0,0,0|4,0,0]=4 169 B12R1.30 [13CH3]N(CCCO)c1ccccc1 2230a_100000212590_200025704644 [0,0,0,0,0,0|4,0,0]=4 170 B12R1.30 [13CH3]N(CCCO)c1ccccc1 269982a_100000212590_200025704644 [0,0,0,0,0,0|4,0,0]=4 171 B12R1.30 [13CH3]N(CCCO)c1ccccc1 34a_100000212590_200025704644 [0,0,0,0,0,0|4,0,0]=4 172 B12R1.30 [13CH3]NCCC(O)c1ccccc1 2230a_100000763605_200025704644 [0,0,0,0,0,0|2,0,2]=4 173 B12R1.30 [13CH3]OCC[C@H](N)c1ccccc1 34a_100025705951_200025704644 [0,0,0,0,0,0|3,0,1]=4 174 B12R1.30 [13CH3]SCCC(=O)c1ccccc1 62a_100000750707_200025704644 [0,0,0,0,0,0|2,0,0]=2 175 B12R1.30 [13CH3]SCCC(=O)c1ccccc1 62a_200025704644_100000750707 [0,0,0,0,0,0|2,0,0]=2 176 B12R1.30 [13CH3]SCCS(=O)c1ccccc1 62a_200025704644_100000740319 [0,0,0,0,0,0|3,0,0]=3 177 B12R1.30 [13CH3]SCC[C@@H](O)c1ccccc1 62a_100000729684_200025704644 [0,0,0,0,0,0|2,0,2]=4 178 B12R1.30 [13CH3]SCC[C@@H](O)c1ccccc1 62a_200025704644_100000729684 [0,0,0,0,0,0|2,0,2]=4 179 B12R1.30 [13CH3]SCOC(=O)c1ccccc1 62a_100000073877_200025704644 [0,0,0,0,0,0|1,0,0]=1 180 B12R1.30 [13CH3]SCOC(=O)c1ccccc1 62a_200025704644_100000073877 [0,0,0,0,0,0|1,0,0]=1 181 B11R1.16 C#CCC(=O)c1ccccc1 1458a_100000185807_100000184674 [1,0,0,0,0,0|0,0,2]=3 182 B11R1.16 C=CCC(=O)c1ccccc1 1458a_100000185807_100000210623 [1,0,0,0,0,0|0,0,2]=3 183 B11R1.16 CC(CN[13CH3])c1ccccc1 2230a_100000701038_200025704644 [1,0,0,0,0,0|2,0,1]=4 184 B11R1.16 CC(CN[13CH3])c1ccccc1 34a_100000701038_200025704644 [1,0,0,0,0,0|2,0,1]=4 185 B11R1.16 CC(CO[13CH3])c1ccccc1 34a_100011215166_200025704644 [1,0,0,0,0,0|2,0,1]=4 186 B11R1.16 CC(CO[13CH3])c1ccccc1 7a_100011215166_200025704644 [1,0,0,0,0,0|2,0,1]=4 187 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_100000756946_200025704644 [1,0,0,0,0,0|2,0,1]=4 188 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_200025704644_100000756946 [1,0,0,0,0,0|2,0,1]=4 189 B11R1.16 CCCC(=O)c1ccccc1 1458a_100000185807_100000210303 [1,0,0,0,0,0|0,0,0]=1 190 B11R1.16 CCCN(C)c1ccccc1 2230a_100000210012_100000210303 [1,0,0,0,0,0|2,0,0]=3 191 B11R1.16 CCCN(C)c1ccccc1 2230a_200011218496_200000210301 [1,0,0,0,0,0|2,0,0]=3 192 B11R1.16 CCCN(C)c1ccccc1 269982a_100000210012_100000210303 [1,0,0,0,0,0|2,0,0]=3 193 B11R1.16 CCCN(C)c1ccccc1 269982a_200011218496_200000210301 [1,0,0,0,0,0|2,0,0]=3 194 B11R1.16 CCCN(C)c1ccccc1 34a_100000210012_100000210303 [1,0,0,0,0,0|2,0,0]=3 195 B11R1.16 CCCN(C)c1ccccc1 34a_200011218496_200000210301 [1,0,0,0,0,0|2,0,0]=3 196 B11R1.16 CCCN([13CH3])c1ccccc1 2230a_200011218496_200025704644 [1,0,0,0,0,0|2,0,0]=3 197 B11R1.16 CCCN([13CH3])c1ccccc1 269982a_200011218496_200025704644 [1,0,0,0,0,0|2,0,0]=3 198 B11R1.16 CCCN([13CH3])c1ccccc1 34a_200011218496_200025704644 [1,0,0,0,0,0|2,0,0]=3 199 B11R1.16 CCNC(=O)c1ccccc1 11a_100015525214_100000185807 [1,0,0,0,0,0|1,0,0]=2 200 B11R1.16 CCNC(=O)c1ccccc1 240690a_100015525214_100000185807 [1,0,0,0,0,0|1,0,0]=2 201 B11R1.16 CCNC(=O)c1ccccc1 527a_100015525214_100000185807 [1,0,0,0,0,0|1,0,0]=2 202 B11R1.16 CCNC(C)c1ccccc1 2230a_100015525214_100000230085 [1,0,0,0,0,0|2,0,1]=4 203 B11R1.16 CCNC(C)c1ccccc1 269862a_100015525214_100000185851 [1,0,0,0,0,0|2,0,1]=4 204 B11R1.16 CCN[C@H](C)c1ccccc1 2230a_100000751104_100000210202 [1,0,0,0,0,0|2,0,1]=4 205 B11R1.16 CCOC(C)c1ccccc1 34a_100121572206_100000211855 [1,0,0,0,0,0|1,0,1]=3 206 B11R1.16 CCO[C@H](C)c1ccccc1 34a_100000761318_100000210202 [1,0,0,0,0,0|1,0,1]=3 207 B11R1.16 CCO[C@H](C)c1ccccc1 7a_100000761318_100000210202 [1,0,0,0,0,0|1,0,1]=3 208 B11R1.16 CCSC(C)c1ccccc1 62a_100000210202_100000230085 [1,0,0,0,0,0|1,1,1]=4 209 B11R1.16 CCSC(C)c1ccccc1 62a_100000230085_100000210202 [1,0,0,0,0,0|1,1,1]=4 210 B11R1.16 CN(CCF)c1ccccc1 2230a_100000210012_100011217306 [1,0,0,0,0,0|3,0,0]=4 211 B11R1.16 CN(CCF)c1ccccc1 269982a_100000210012_100011217306 [1,0,0,0,0,0|3,0,0]=4 212 B11R1.16 CN(CCF)c1ccccc1 34a_100000210012_100011217306 [1,0,0,0,0,0|3,0,0]=4 213 B11R1.16 CN(CCO)c1ccccc1 2230a_100000210012_100000211926 [1,0,0,0,0,0|3,0,0]=4 214 B11R1.16 CN(CCO)c1ccccc1 2230a_100000211345_200000210301 [1,0,0,0,0,0|3,0,0]=4 215 B11R1.16 CN(CCO)c1ccccc1 269982a_100000210012_100000211926 [1,0,0,0,0,0|3,0,0]=4 216 B11R1.16 CN(CCO)c1ccccc1 269982a_100000211345_200000210301 [1,0,0,0,0,0|3,0,0]=4 217 B11R1.16 CN(CCO)c1ccccc1 34a_100000210012_100000211926 [1,0,0,0,0,0|3,0,0]=4 218 B11R1.16 CN(CCO)c1ccccc1 34a_100000211345_200000210301 [1,0,0,0,0,0|3,0,0]=4 219 B11R1.16 CNCC(=O)c1ccccc1 7a_106832991635_100000211460 [1,0,0,0,0,0|1,0,0]=2 220 B11R1.16 CNCC(=O)c1ccccn1 34a_100102657272_100000027445 [1,0,0,0,0,0|2,0,0]=3 221 B11R1.16 CNCC(=O)c1ccccn1 7a_106832991635_100000027445 [1,0,0,0,0,0|2,0,0]=3 222 B11R1.16 CNCC(=O)c1ccncc1 7a_106832991635_100015248511 [1,0,0,0,0,0|2,0,0]=3 223 B11R1.16 CNCC(C)c1ccccc1 2230a_100000701038_200000210301 [1,0,0,0,0,0|2,0,1]=4 224 B11R1.16 CNCC(C)c1ccccc1 2230a_106832991635_100000756946 [1,0,0,0,0,0|2,0,1]=4 225 B11R1.16 CNCC(C)c1ccccc1 270004a_106832991635_100000212034 [1,0,0,0,0,0|2,0,1]=4 226 B11R1.16 CNCC(C)c1ccccc1 34a_100000701038_200000210301 [1,0,0,0,0,0|2,0,1]=4 227 B11R1.16 CNCC(C)c1ccccc1 34a_100102657272_100000756946 [1,0,0,0,0,0|2,0,1]=4 228 B11R1.16 CNCC(C)c1ccccc1 7a_106832991635_100000756946 [1,0,0,0,0,0|2,0,1]=4 229 B11R1.16 CNCC(O)c1ccccc1 2230a_100000210709_200000210301 [1,0,0,0,0,0|1,0,2]=4 230 B11R1.16 CNCC(O)c1ccccc1 2230a_106832991635_100000185958 [1,0,0,0,0,0|1,0,2]=4 231 B11R1.16 CNCC(O)c1ccccc1 34a_100102657272_100000185958 [1,0,0,0,0,0|1,0,2]=4 232 B11R1.16 CNCC(O)c1ccccc1 7a_106832991635_100000185958 [1,0,0,0,0,0|1,0,2]=4 233 B11R1.16 CNC[C@@H](O)c1ccccc1 2230a_106832991635_100011933945 [1,0,0,0,0,0|1,0,2]=4 234 B11R1.16 CNC[C@@H](O)c1ccccc1 34a_100102657272_100011933945 [1,0,0,0,0,0|1,0,2]=4 235 B11R1.16 CNC[C@@H](O)c1ccccc1 7a_106832991635_100011933945 [1,0,0,0,0,0|1,0,2]=4 236 B11R1.16 CNNC(=O)c1ccccc1 22a_100016993582_100000185807 [1,0,0,0,0,0|2,0,0]=3 237 B11R1.16 COCC(=O)c1ccccn1 34a_100138415774_100000027445 [1,0,0,0,0,0|2,0,0]=3 238 B11R1.16 COCC(C)c1ccccc1 34a_100011215166_200000210301 [1,0,0,0,0,0|2,0,1]=4 239 B11R1.16 COCC(C)c1ccccc1 34a_100138415774_100000756946 [1,0,0,0,0,0|2,0,1]=4 240 B11R1.16 COCC(C)c1ccccc1 7a_100011215166_200000210301 [1,0,0,0,0,0|2,0,1]=4 241 B11R1.16 COCC(O)c1ccccc1 34a_100138415774_100000185958 [1,0,0,0,0,0|1,0,2]=4 242 B11R1.16 COCN(C)c1ccccc1 2230a_100000210012_100000766300 [1,0,0,0,0,0|3,0,0]=4 243 B11R1.16 COCN(C)c1ccccc1 269982a_100000210012_100000766300 [1,0,0,0,0,0|3,0,0]=4 244 B11R1.16 COC[C@@H](N)c1ccccc1 34a_100000751927_200000210301 [1,0,0,0,0,0|2,0,1]=4 245 B11R1.16 COC[C@@H](O)c1ccccc1 34a_100138415774_100011933945 [1,0,0,0,0,0|1,0,2]=4 246 B11R1.16 CSCC(=O)c1ccccc1 62a_100000211460_200000210301 [1,0,0,0,0,0|1,0,0]=2 247 B11R1.16 CSCC(=O)c1ccccc1 62a_200000210301_100000211460 [1,0,0,0,0,0|1,0,0]=2 248 B11R1.16 CSCC(=O)c1ccccn1 62a_100000027445_200000210301 [1,0,0,0,0,0|2,0,0]=3 249 B11R1.16 CSCC(=O)c1ccccn1 62a_200000210301_100000027445 [1,0,0,0,0,0|2,0,0]=3 250 B11R1.16 CSCC(=O)c1cccnc1 62a_100000757877_200000210301 [1,0,0,0,0,0|2,0,0]=3 251 B11R1.16 CSCC(=O)c1cccnc1 62a_200000210301_100000757877 [1,0,0,0,0,0|2,0,0]=3 252 B11R1.16 CSCC(=O)c1ccncc1 62a_100000027454_200000210301 [1,0,0,0,0,0|2,0,0]=3 253 B11R1.16 CSCC(=O)c1ccncc1 62a_200000210301_100000027454 [1,0,0,0,0,0|2,0,0]=3 254 B11R1.16 CSCC(=O)c1ncccn1 62a_100020636365_200000210301 [1,0,0,0,0,0|3,0,0]=4 255 B11R1.16 CSCC(=O)c1ncccn1 62a_200000210301_100020636365 [1,0,0,0,0,0|3,0,0]=4 256 B11R1.16 CSCC(C)c1ccccc1 62a_100000756946_200000210301 [1,0,0,0,0,0|2,0,1]=4 257 B11R1.16 CSCC(C)c1ccccc1 62a_200000210301_100000756946 [1,0,0,0,0,0|2,0,1]=4 258 B11R1.16 CSCC(O)c1ccccc1 62a_100000185958_200000210301 [1,0,0,0,0,0|1,0,2]=4 259 B11R1.16 CSCC(O)c1ccccc1 62a_200000210301_100000185958 [1,0,0,0,0,0|1,0,2]=4 260 B11R1.16 CSCN(C)c1ccccc1 2230a_100000210012_100011218213 [1,0,0,0,0,0|3,0,0]=4 261 B11R1.16 CSCN(C)c1ccccc1 269982a_100000210012_100011218213 [1,0,0,0,0,0|3,0,0]=4 262 B11R1.16 CSCN(C)c1ccccc1 34a_100000210012_100011218213 [1,0,0,0,0,0|3,0,0]=4 263 B11R1.16 CSCS(=O)c1ccccc1 62a_200000210301_100000031784 [1,0,0,0,0,0|2,0,0]=3 264 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_100011933945_200000210301 [1,0,0,0,0,0|1,0,2]=4 265 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_200000210301_100011933945 [1,0,0,0,0,0|1,0,2]=4 266 B11R1.16 C[C@@H](OCF)c1ccccc1 34a_100000761318_100015361967 [1,0,0,0,0,0|2,0,1]=4 267 B11R1.16 C[C@@H](OCF)c1ccccc1 7a_100000761318_100015361967 [1,0,0,0,0,0|2,0,1]=4 268 B11R1.16 N#CCC(=O)c1ccccc1 1458a_100000185807_100011214920 [1,0,0,0,0,0|1,0,1]=3 269 B11R1.16 O=C(CCF)c1ccccc1 1458a_100000185807_100011217306 [1,0,0,0,0,0|1,0,0]=2 270 B11R1.16 O=C(CCO)c1ccccc1 1458a_100000185807_100000211926 [1,0,0,0,0,0|1,0,0]=2 271 B11R1.16 [13CH3]N(CCO)c1ccccc1 2230a_100000211345_200025704644 [1,0,0,0,0,0|3,0,0]=4 272 B11R1.16 [13CH3]N(CCO)c1ccccc1 269982a_100000211345_200025704644 [1,0,0,0,0,0|3,0,0]=4 273 B11R1.16 [13CH3]N(CCO)c1ccccc1 34a_100000211345_200025704644 [1,0,0,0,0,0|3,0,0]=4 274 B11R1.16 [13CH3]NCC(O)c1ccccc1 2230a_100000210709_200025704644 [1,0,0,0,0,0|1,0,2]=4 275 B11R1.16 [13CH3]OC[C@@H](N)c1ccccc1 34a_100000751927_200025704644 [1,0,0,0,0,0|2,0,1]=4 276 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_100000211460_200025704644 [1,0,0,0,0,0|1,0,0]=2 277 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_200025704644_100000211460 [1,0,0,0,0,0|1,0,0]=2 278 B11R1.16 [13CH3]SCC(=O)c1ccccn1 62a_100000027445_200025704644 [1,0,0,0,0,0|2,0,0]=3 279 B11R1.16 [13CH3]SCC(=O)c1ccccn1 62a_200025704644_100000027445 [1,0,0,0,0,0|2,0,0]=3 280 B11R1.16 [13CH3]SCC(=O)c1cccnc1 62a_100000757877_200025704644 [1,0,0,0,0,0|2,0,0]=3 281 B11R1.16 [13CH3]SCC(=O)c1cccnc1 62a_200025704644_100000757877 [1,0,0,0,0,0|2,0,0]=3 282 B11R1.16 [13CH3]SCC(=O)c1ccncc1 62a_100000027454_200025704644 [1,0,0,0,0,0|2,0,0]=3 283 B11R1.16 [13CH3]SCC(=O)c1ccncc1 62a_200025704644_100000027454 [1,0,0,0,0,0|2,0,0]=3 284 B11R1.16 [13CH3]SCC(=O)c1ncccn1 62a_100020636365_200025704644 [1,0,0,0,0,0|3,0,0]=4 285 B11R1.16 [13CH3]SCC(=O)c1ncccn1 62a_200025704644_100020636365 [1,0,0,0,0,0|3,0,0]=4 286 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_100000185958_200025704644 [1,0,0,0,0,0|1,0,2]=4 287 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_200025704644_100000185958 [1,0,0,0,0,0|1,0,2]=4 288 B11R1.16 [13CH3]SCS(=O)c1ccccc1 62a_200025704644_100000031784 [1,0,0,0,0,0|2,0,0]=3 289 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_100011933945_200025704644 [1,0,0,0,0,0|1,0,2]=4 290 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_200025704644_100011933945 [1,0,0,0,0,0|1,0,2]=4 291 B11R1.28 BrCCOCc1ccccc1 34a_100000211926_100015291786 [1,0,0,0,0,0|1,0,1]=3 292 B11R1.28 BrCCOCc1ccccn1 34a_100000211926_100000721315 [1,0,0,0,0,0|2,0,1]=4 293 B11R1.28 BrCCOCc1cccnc1 34a_100000211926_100000733263 [1,0,0,0,0,0|2,0,1]=4 294 B11R1.28 C#CCOCc1ccccc1 34a_100000210247_100015291786 [1,0,0,0,0,0|0,0,3]=4 295 B11R1.28 C#CCOCc1ccccc1 34a_100000210790_100000184674 [1,0,0,0,0,0|0,0,3]=4 296 B11R1.28 C#CCOCc1ccccc1 7a_100000210790_100000038162 [1,0,0,0,0,0|0,0,3]=4 297 B11R1.28 C=CCOCc1ccccc1 34a_100000210790_100015514636 [1,0,0,0,0,0|0,0,3]=4 298 B11R1.28 C=CCOCc1ccccc1 34a_200000210373_100015291786 [1,0,0,0,0,0|0,0,3]=4 299 B11R1.28 C=CCOCc1ccccc1 7a_100000210790_100015514636 [1,0,0,0,0,0|0,0,3]=4 300 B11R1.28 CCC=NNc1ccccc1 4a_100015195140_100000210100 [1,0,0,0,0,0|2,0,1]=4 301 B11R1.28 CCCC=Cc1ccccc1 271570a_100016258520_100000210277 [1,0,0,0,0,0|1,0,0]=2 302 B11R1.28 CCCC=Cc1ccccn1 271570a_100016258520_100011216584 [1,0,0,0,0,0|2,0,0]=3 303 B11R1.28 CCCC=Cc1cccnc1 271570a_100016258520_100000752921 [1,0,0,0,0,0|2,0,0]=3 304 B11R1.28 CCCC=Cc1cccnn1 271570a_100016258520_100016991348 [1,0,0,0,0,0|3,0,0]=4 305 B11R1.28 CCCC=Cc1ccncc1 271570a_100016258520_100000035832 [1,0,0,0,0,0|2,0,0]=3 306 B11R1.28 CCCC=Cc1ccncn1 271570a_100016258520_100000703185 [1,0,0,0,0,0|3,0,0]=4 307 B11R1.28 CCCC=Cc1ccnnc1 271570a_100016258520_100000732662 [1,0,0,0,0,0|3,0,0]=4 308 B11R1.28 CCCC=Cc1cnccn1 271570a_100016258520_100000758340 [1,0,0,0,0,0|3,0,0]=4 309 B11R1.28 CCCC=Cc1cncnc1 271570a_100016258520_100011206942 [1,0,0,0,0,0|3,0,0]=4 310 B11R1.28 CCCC=Cc1ncccn1 271570a_100016258520_100000211032 [1,0,0,0,0,0|3,0,0]=4 311 B11R1.28 CCCCNc1ccccc1 34a_100000106764_100000210210 [1,0,0,0,0,0|2,0,0]=3 312 B11R1.28 CCCCOc1ccccc1 34a_100000210340_100000210210 [1,0,0,0,0,0|2,0,0]=3 313 B11R1.28 CCCCOc1ccccc1 7a_100000210340_100000210211 [1,0,0,0,0,0|2,0,0]=3 314 B11R1.28 CCCCOc1cccnc1 34a_100000210849_100000210210 [1,0,0,0,0,0|3,0,0]=4 315 B11R1.28 CCCCOc1cccnc1 7a_100000210849_100000210211 [1,0,0,0,0,0|3,0,0]=4 316 B11R1.28 CCCCOc1ccncc1 34a_100000212176_100000210210 [1,0,0,0,0,0|3,0,0]=4 317 B11R1.28 CCCCSc1ccccc1 62a_100000210211_100000041952 [1,0,0,0,0,0|2,0,0]=3 318 B11R1.28 CCCCSc1ccccc1 62a_100000719477_100000210210 [1,0,0,0,0,0|2,0,0]=3 319 B11R1.28 CCCCSc1ccccn1 62a_100000210211_100011216584 [1,0,0,0,0,0|3,0,0]=4 320 B11R1.28 CCCCSc1ccccn1 62a_100011216584_100000210210 [1,0,0,0,0,0|3,0,0]=4 321 B11R1.28 CCCCSc1cccnc1 62a_100000210063_100000210210 [1,0,0,0,0,0|3,0,0]=4 322 B11R1.28 CCCCSc1cccnc1 62a_100000210211_100000210063 [1,0,0,0,0,0|3,0,0]=4 323 B11R1.28 CCCCSc1ccncc1 62a_100000210211_100000728582 [1,0,0,0,0,0|3,0,0]=4 324 B11R1.28 CCCCSc1ccncc1 62a_100000728582_100000210210 [1,0,0,0,0,0|3,0,0]=4 325 B11R1.28 CCCNCc1ccccc1 207a_100020643023_100015611070 [1,0,0,0,0,0|1,0,1]=3 326 B11R1.28 CCCNCc1ccccc1 2230a_100015324214_100000210303 [1,0,0,0,0,0|1,0,1]=3 327 B11R1.28 CCCNCc1ccccc1 270004a_100020643023_100015611070 [1,0,0,0,0,0|1,0,1]=3 328 B11R1.28 CCCNCc1ccccc1 34a_100015324214_100000210303 [1,0,0,0,0,0|1,0,1]=3 329 B11R1.28 CCCNCc1ccccn1 207a_100020643023_100000209966 [1,0,0,0,0,0|2,0,1]=4 330 B11R1.28 CCCNCc1ccccn1 270004a_100020643023_100000209966 [1,0,0,0,0,0|2,0,1]=4 331 B11R1.28 CCCNCc1cccnc1 207a_100020643023_100000209961 [1,0,0,0,0,0|2,0,1]=4 332 B11R1.28 CCCNCc1cccnc1 270004a_100020643023_100000209961 [1,0,0,0,0,0|2,0,1]=4 333 B11R1.28 CCCNCc1ccncc1 207a_100020643023_100000186114 [1,0,0,0,0,0|2,0,1]=4 334 B11R1.28 CCCOCc1ccccc1 34a_100000210258_100015291786 [1,0,0,0,0,0|0,0,1]=2 335 B11R1.28 CCCOCc1ccccc1 34a_100000210790_100000210303 [1,0,0,0,0,0|0,0,1]=2 336 B11R1.28 CCCOCc1ccccc1 7a_100000210790_100000210303 [1,0,0,0,0,0|0,0,1]=2 337 B11R1.28 CCCOCc1ccccn1 34a_100000210258_100000721315 [1,0,0,0,0,0|1,0,1]=3 338 B11R1.28 CCCOCc1cccnc1 34a_100000210258_100000733263 [1,0,0,0,0,0|1,0,1]=3 339 B11R1.28 CCCOCc1cccnn1 34a_100000210258_100016990269 [1,0,0,0,0,0|2,0,1]=4 340 B11R1.28 CCCOCc1cnccn1 34a_100000210258_100016995436 [1,0,0,0,0,0|2,0,1]=4 341 B11R1.28 CCCOCc1cncnc1 34a_100000210258_100015196519 [1,0,0,0,0,0|2,0,1]=4 342 B11R1.28 CCCOCc1ncccn1 34a_100000210258_100000703007 [1,0,0,0,0,0|2,0,1]=4 343 B11R1.28 CCCSCc1ccccc1 62a_100000210303_100015291786 [1,0,0,0,0,0|0,1,1]=3 344 B11R1.28 CCCSCc1ccccc1 62a_100000211182_100000210303 [1,0,0,0,0,0|0,1,1]=3 345 B11R1.28 CCCSCc1ccccn1 62a_100000210303_100000721315 [1,0,0,0,0,0|1,1,1]=4 346 B11R1.28 CCCSCc1ccccn1 62a_100000721315_100000210303 [1,0,0,0,0,0|1,1,1]=4 347 B11R1.28 CCCSCc1cccnc1 62a_100000210303_100000741622 [1,0,0,0,0,0|1,1,1]=4 348 B11R1.28 CCCSCc1cccnc1 62a_100000741622_100000210303 [1,0,0,0,0,0|1,1,1]=4 349 B11R1.28 CCCSCc1ccncc1 62a_100000210303_100015193705 [1,0,0,0,0,0|1,1,1]=4 350 B11R1.28 CCCSCc1ccncc1 62a_100015193705_100000210303 [1,0,0,0,0,0|1,1,1]=4 351 B11R1.28 CCNCCc1ccccc1 2230a_100000106460_100000210202 [1,0,0,0,0,0|2,0,1]=4 352 B11R1.28 CCNCCc1ccccc1 2230a_100015525214_100000765856 [1,0,0,0,0,0|2,0,1]=4 353 B11R1.28 CCNCCc1ccccc1 34a_100000106460_100000210202 [1,0,0,0,0,0|2,0,1]=4 354 B11R1.28 CCNCSc1ccccc1 2230a_100015525214_100011218342 [1,0,0,0,0,0|3,0,0]=4 355 B11R1.28 CCNN=Cc1ccccc1 4a_100000756455_100015611070 [1,0,0,0,0,0|2,0,0]=3 356 B11R1.28 CCNN=Cc1ccccn1 4a_100000756455_100000209966 [1,0,0,0,0,0|3,0,0]=4 357 B11R1.28 CCNN=Cc1cccnc1 4a_100000756455_100000209961 [1,0,0,0,0,0|3,0,0]=4 358 B11R1.28 CCNN=Cc1ccncc1 4a_100000756455_100000186114 [1,0,0,0,0,0|3,0,0]=4 359 B11R1.28 CCOC=Cc1ccccc1 271570a_100016256518_100000210277 [1,0,0,0,0,0|2,0,0]=3 360 B11R1.28 CCOC=Cc1ccccn1 271570a_100016256518_100011216584 [1,0,0,0,0,0|3,0,0]=4 361 B11R1.28 CCOC=Cc1cccnc1 271570a_100016256518_100000752921 [1,0,0,0,0,0|3,0,0]=4 362 B11R1.28 CCOC=Cc1ccncc1 271570a_100016256518_100000035832 [1,0,0,0,0,0|3,0,0]=4 363 B11R1.28 CCOCCc1ccccc1 34a_100000210268_100000210202 [1,0,0,0,0,0|2,0,1]=4 364 B11R1.28 CCOCCc1ccccc1 34a_100121572206_100000765856 [1,0,0,0,0,0|2,0,1]=4 365 B11R1.28 CCOCCc1ccccc1 7a_100000210268_100000210202 [1,0,0,0,0,0|2,0,1]=4 366 B11R1.28 CCOCSc1ccccc1 62a_100000719477_100000739092 [1,0,0,0,0,0|3,0,0]=4 367 B11R1.28 CCOCSc1ccccc1 62a_100000739092_100000041952 [1,0,0,0,0,0|3,0,0]=4 368 B11R1.28 CCSCCc1ccccc1 62a_100000210202_100011218657 [1,0,0,0,0,0|2,0,1]=4 369 B11R1.28 CCSCCc1ccccc1 62a_100000765856_100000210202 [1,0,0,0,0,0|2,0,1]=4 370 B11R1.28 CCSCSc1ccccc1 62a_100000210202_100011218342 [1,0,0,0,0,0|3,0,0]=4 371 B11R1.28 CCSCSc1ccccc1 62a_100011218342_100000210202 [1,0,0,0,0,0|3,0,0]=4 372 B11R1.28 CNC/C=C/c1ccccc1 2230a_100020603302_200000210301 [1,0,0,0,0,0|2,0,0]=3 373 B11R1.28 CNC/C=C/c1ccccc1 2230a_106832991635_100016265936 [1,0,0,0,0,0|2,0,0]=3 374 B11R1.28 CNC/C=C/c1ccccc1 34a_100020603302_200000210301 [1,0,0,0,0,0|2,0,0]=3 375 B11R1.28 CNC/C=C/c1ccccc1 34a_100102657272_100016265936 [1,0,0,0,0,0|2,0,0]=3 376 B11R1.28 CNC/C=C/c1ccccc1 7a_106832991635_100016265936 [1,0,0,0,0,0|2,0,0]=3 377 B11R1.28 CNCC#Cc1ccccc1 2230a_106832991635_100011352542 [1,0,0,0,0,0|2,0,1]=4 378 B11R1.28 CNCC#Cc1ccccc1 34a_100000735379_200000210301 [1,0,0,0,0,0|2,0,1]=4 379 B11R1.28 CNCC#Cc1ccccc1 34a_100102657272_100011352542 [1,0,0,0,0,0|2,0,1]=4 380 B11R1.28 CNCC#Cc1ccccc1 7a_106832991635_100011352542 [1,0,0,0,0,0|2,0,1]=4 381 B11R1.28 CNCC=Cc1ccccc1 270004a_106832991635_100000210105 [1,0,0,0,0,0|2,0,0]=3 382 B11R1.28 CNCCCc1ccccc1 2230a_100000211184_200000210301 [1,0,0,0,0,0|2,0,1]=4 383 B11R1.28 CNCCCc1ccccc1 2230a_106832991635_100000211621 [1,0,0,0,0,0|2,0,1]=4 384 B11R1.28 CNCCCc1ccccc1 34a_100000211184_200000210301 [1,0,0,0,0,0|2,0,1]=4 385 B11R1.28 CNCCCc1ccccc1 34a_100102657272_100000211621 [1,0,0,0,0,0|2,0,1]=4 386 B11R1.28 CNCCCc1ccccc1 7a_106832991635_100000211621 [1,0,0,0,0,0|2,0,1]=4 387 B11R1.28 CNCCOc1ccccc1 2230a_100000174943_200000210301 [1,0,0,0,0,0|3,0,0]=4 388 B11R1.28 CNCCOc1ccccc1 2230a_106832991635_100000184471 [1,0,0,0,0,0|3,0,0]=4 389 B11R1.28 CNCCOc1ccccc1 270004a_106832991635_100000758736 [1,0,0,0,0,0|3,0,0]=4 390 B11R1.28 CNCCOc1ccccc1 34a_100000174943_200000210301 [1,0,0,0,0,0|3,0,0]=4 391 B11R1.28 CNCCOc1ccccc1 34a_100102657272_100000184471 [1,0,0,0,0,0|3,0,0]=4 392 B11R1.28 CNCCOc1ccccc1 7a_106832991635_100000184471 [1,0,0,0,0,0|3,0,0]=4 393 B11R1.28 CNCCSc1ccccc1 2230a_100000189519_200000210301 [1,0,0,0,0,0|3,0,0]=4 394 B11R1.28 CNCCSc1ccccc1 2230a_106832991635_100000246102 [1,0,0,0,0,0|3,0,0]=4 395 B11R1.28 CNCCSc1ccccc1 34a_100102657272_100000246102 [1,0,0,0,0,0|3,0,0]=4 396 B11R1.28 CNCCSc1ccccc1 7a_106832991635_100000246102 [1,0,0,0,0,0|3,0,0]=4 397 B11R1.28 CNCOCc1ccccc1 2230a_106832991635_100000763385 [1,0,0,0,0,0|1,0,1]=3 398 B11R1.28 CNCOCc1ccccc1 34a_100102657272_100000763385 [1,0,0,0,0,0|1,0,1]=3 399 B11R1.28 CNCSCc1ccccc1 2230a_106832991635_200011217039 [1,0,0,0,0,0|1,1,1]=4 400 B11R1.28 CNCSCc1ccccc1 34a_100102657272_200011217039 [1,0,0,0,0,0|1,1,1]=4 401 B11R1.28 COC/C=C/c1ccccc1 34a_100000210256_200000210301 [1,0,0,0,0,0|2,0,0]=3 402 B11R1.28 COC/C=C/c1ccccc1 34a_100138415774_100016265936 [1,0,0,0,0,0|2,0,0]=3 403 B11R1.28 COC/C=C/c1cccnc1 34a_200102594124_200000210301 [1,0,0,0,0,0|3,0,0]=4 404 B11R1.28 COCC#Cc1ccccc1 34a_100011217464_200000210301 [1,0,0,0,0,0|2,0,1]=4 405 B11R1.28 COCC#Cc1ccccc1 34a_100138415774_100011352542 [1,0,0,0,0,0|2,0,1]=4 406 B11R1.28 COCC#Cc1ccccc1 7a_100011217464_200000210301 [1,0,0,0,0,0|2,0,1]=4 407 B11R1.28 COCC=Cc1ccccc1 271570a_100016286323_100000210277 [1,0,0,0,0,0|2,0,0]=3 408 B11R1.28 COCC=Cc1ccccn1 271570a_100016286323_100011216584 [1,0,0,0,0,0|3,0,0]=4 409 B11R1.28 COCC=Cc1cccnc1 271570a_100016286323_100000752921 [1,0,0,0,0,0|3,0,0]=4 410 B11R1.28 COCC=Cc1ccncc1 271570a_100016286323_100000035832 [1,0,0,0,0,0|3,0,0]=4 411 B11R1.28 COCCCc1ccccc1 34a_100000210828_200000210301 [1,0,0,0,0,0|2,0,1]=4 412 B11R1.28 COCCCc1ccccc1 34a_100138415774_100000211621 [1,0,0,0,0,0|2,0,1]=4 413 B11R1.28 COCCCc1ccccc1 7a_100000210828_200000210301 [1,0,0,0,0,0|2,0,1]=4 414 B11R1.28 COCCNc1ccccc1 34a_100000106764_100011201679 [1,0,0,0,0,0|3,0,0]=4 415 B11R1.28 COCCNc1ccccc1 34a_100000211345_200000210301 [1,0,0,0,0,0|3,0,0]=4 416 B11R1.28 COCCOc1ccccc1 34a_100000210260_200000210301 [1,0,0,0,0,0|3,0,0]=4 417 B11R1.28 COCCOc1ccccc1 34a_100000210340_100011201679 [1,0,0,0,0,0|3,0,0]=4 418 B11R1.28 COCCOc1ccccc1 34a_100138415774_100000184471 [1,0,0,0,0,0|3,0,0]=4 419 B11R1.28 COCCOc1ccccc1 7a_100000210260_200000210301 [1,0,0,0,0,0|3,0,0]=4 420 B11R1.28 COCCOc1ccccc1 7a_100000210340_100000233755 [1,0,0,0,0,0|3,0,0]=4 421 B11R1.28 COCCSc1ccccc1 34a_100138415774_100000246102 [1,0,0,0,0,0|3,0,0]=4 422 B11R1.28 COCCSc1ccccc1 62a_100000233755_100000041952 [1,0,0,0,0,0|3,0,0]=4 423 B11R1.28 COCCSc1ccccc1 62a_100000719477_100000233755 [1,0,0,0,0,0|3,0,0]=4 424 B11R1.28 COCCSc1ccccc1 7a_100000230494_200000210301 [1,0,0,0,0,0|3,0,0]=4 425 B11R1.28 COCNCc1ccccc1 2230a_100015324214_100000766300 [1,0,0,0,0,0|2,0,1]=4 426 B11R1.28 COCOCc1ccccc1 34a_100138415774_100000763385 [1,0,0,0,0,0|1,0,1]=3 427 B11R1.28 COCSCc1ccccc1 34a_100138415774_200011217039 [1,0,0,0,0,0|1,1,1]=4 428 B11R1.28 COCSCc1ccccc1 62a_100000211182_100000766300 [1,0,0,0,0,0|1,1,1]=4 429 B11R1.28 COCSCc1ccccc1 62a_100000766300_100015291786 [1,0,0,0,0,0|1,1,1]=4 430 B11R1.28 CSC/C=C/c1ccccc1 62a_100016265936_200000210301 [1,0,0,0,0,0|2,0,0]=3 431 B11R1.28 CSC/C=C/c1ccccc1 62a_200000210301_100016265936 [1,0,0,0,0,0|2,0,0]=3 432 B11R1.28 CSCC#Cc1ccccc1 62a_200000210301_100011352542 [1,0,0,0,0,0|2,0,1]=4 433 B11R1.28 CSCCCc1ccccc1 62a_100000211621_200000210301 [1,0,0,0,0,0|2,0,1]=4 434 B11R1.28 CSCCCc1ccccc1 62a_200000210301_100000211621 [1,0,0,0,0,0|2,0,1]=4 435 B11R1.28 CSCCNc1ccccc1 34a_100000106764_100000212216 [1,0,0,0,0,0|3,0,0]=4 436 B11R1.28 CSCCOc1ccccc1 34a_100000210340_100000212216 [1,0,0,0,0,0|3,0,0]=4 437 B11R1.28 CSCCOc1ccccc1 62a_100000184471_200000210301 [1,0,0,0,0,0|3,0,0]=4 438 B11R1.28 CSCCOc1ccccc1 62a_200000210301_100000184471 [1,0,0,0,0,0|3,0,0]=4 439 B11R1.28 CSCCOc1ccccc1 7a_100000210340_100000212216 [1,0,0,0,0,0|3,0,0]=4 440 B11R1.28 CSCCSc1ccccc1 62a_100000212216_100000041952 [1,0,0,0,0,0|3,0,0]=4 441 B11R1.28 CSCCSc1ccccc1 62a_100000246102_200000210301 [1,0,0,0,0,0|3,0,0]=4 442 B11R1.28 CSCCSc1ccccc1 62a_100000719477_100000751147 [1,0,0,0,0,0|3,0,0]=4 443 B11R1.28 CSCCSc1ccccc1 62a_200000210301_100000246102 [1,0,0,0,0,0|3,0,0]=4 444 B11R1.28 CSCNCc1ccccc1 2230a_100015324214_100011218213 [1,0,0,0,0,0|2,0,1]=4 445 B11R1.28 CSCNCc1ccccc1 34a_100015324214_100011218213 [1,0,0,0,0,0|2,0,1]=4 446 B11R1.28 CSCOCc1ccccc1 34a_100000210790_100011218213 [1,0,0,0,0,0|1,0,1]=3 447 B11R1.28 CSCOCc1ccccc1 62a_100000763385_200000210301 [1,0,0,0,0,0|1,0,1]=3 448 B11R1.28 CSCOCc1ccccc1 62a_200000210301_100000763385 [1,0,0,0,0,0|1,0,1]=3 449 B11R1.28 CSCSCc1ccccc1 62a_100000211182_100011218213 [1,0,0,0,0,0|1,1,1]=4 450 B11R1.28 CSCSCc1ccccc1 62a_100011218213_100015291786 [1,0,0,0,0,0|1,1,1]=4 451 B11R1.28 CSCSCc1ccccc1 62a_200000210301_200011217039 [1,0,0,0,0,0|1,1,1]=4 452 B11R1.28 CSCSCc1ccccc1 62a_200011217039_200000210301 [1,0,0,0,0,0|1,1,1]=4 453 B11R1.28 FCCCNc1ccccc1 34a_100000106764_100011934791 [1,0,0,0,0,0|3,0,0]=4 454 B11R1.28 FCCCOc1ccccc1 34a_100000210340_100011934791 [1,0,0,0,0,0|3,0,0]=4 455 B11R1.28 FCCCOc1ccccc1 7a_100000210340_100011934791 [1,0,0,0,0,0|3,0,0]=4 456 B11R1.28 FCCCSc1ccccc1 62a_100000719477_100011934791 [1,0,0,0,0,0|3,0,0]=4 457 B11R1.28 FCCCSc1ccccc1 62a_100011934791_100000041952 [1,0,0,0,0,0|3,0,0]=4 458 B11R1.28 FCCNCc1ccccc1 2230a_100015324214_100011217306 [1,0,0,0,0,0|2,0,1]=4 459 B11R1.28 FCCNCc1ccccc1 34a_100000724931_100015291786 [1,0,0,0,0,0|2,0,1]=4 460 B11R1.28 FCCNCc1ccccc1 34a_100015324214_100011217306 [1,0,0,0,0,0|2,0,1]=4 461 B11R1.28 FCCOCc1ccccc1 34a_100000210790_100011217306 [1,0,0,0,0,0|1,0,1]=3 462 B11R1.28 FCCOCc1ccccc1 7a_100000210790_100011217306 [1,0,0,0,0,0|1,0,1]=3 463 B11R1.28 FCCSCc1ccccc1 62a_100000211182_100011217306 [1,0,0,0,0,0|1,1,1]=4 464 B11R1.28 FCCSCc1ccccc1 62a_100011217306_100015291786 [1,0,0,0,0,0|1,1,1]=4 465 B11R1.28 N#CCOCc1ccccc1 7a_100000210790_100011215382 [1,0,0,0,0,0|1,0,2]=4 466 B11R1.28 NCCOCc1ccccc1 34a_100000210304_100015291786 [1,0,0,0,0,0|1,0,1]=3 467 B11R1.28 NCCOCc1ccccn1 34a_100000210304_100000721315 [1,0,0,0,0,0|2,0,1]=4 468 B11R1.28 NCCOCc1cccnc1 34a_100000210304_100000733263 [1,0,0,0,0,0|2,0,1]=4 469 B11R1.28 O=CCOCc1ccccc1 34a_100000210790_200009817547 [1,0,0,0,0,0|1,0,2]=4 470 B11R1.28 O=CCOCc1ccccc1 7a_100000210790_200015260668 [1,0,0,0,0,0|1,0,2]=4 471 B11R1.28 OCCCNc1ccccc1 34a_100000106764_100000230001 [1,0,0,0,0,0|3,0,0]=4 472 B11R1.28 OCCCOc1ccccc1 34a_100000210340_100000230001 [1,0,0,0,0,0|3,0,0]=4 473 B11R1.28 OCCCOc1ccccc1 7a_100000210340_100011215043 [1,0,0,0,0,0|3,0,0]=4 474 B11R1.28 OCCCSc1ccccc1 62a_100000719477_100011215043 [1,0,0,0,0,0|3,0,0]=4 475 B11R1.28 OCCCSc1ccccc1 62a_100011215043_100000041952 [1,0,0,0,0,0|3,0,0]=4 476 B11R1.28 OCCNCc1ccccc1 207a_100000210304_100015611070 [1,0,0,0,0,0|2,0,1]=4 477 B11R1.28 OCCNCc1ccccc1 2230a_100015324214_100000211926 [1,0,0,0,0,0|2,0,1]=4 478 B11R1.28 OCCNCc1ccccc1 2230a_100016997473_100015291786 [1,0,0,0,0,0|2,0,1]=4 479 B11R1.28 OCCNCc1ccccc1 270004a_100000210304_100015611070 [1,0,0,0,0,0|2,0,1]=4 480 B11R1.28 OCCNCc1ccccc1 34a_100015324214_100000211926 [1,0,0,0,0,0|2,0,1]=4 481 B11R1.28 OCCNCc1ccccc1 34a_100016990907_100015291786 [1,0,0,0,0,0|2,0,1]=4 482 B11R1.28 OCCOCc1ccccc1 34a_100000210790_100000211926 [1,0,0,0,0,0|1,0,1]=3 483 B11R1.28 OCCOCc1ccccc1 7a_100000210790_100000211926 [1,0,0,0,0,0|1,0,1]=3 484 B11R1.28 OCCSCc1ccccc1 62a_100000211182_100000211926 [1,0,0,0,0,0|1,1,1]=4 485 B11R1.28 OCCSCc1ccccc1 62a_100000211926_100015291786 [1,0,0,0,0,0|1,1,1]=4 486 B11R1.28 [13CH3]NC/C=C/c1ccccc1 2230a_100020603302_200025704644 [1,0,0,0,0,0|2,0,0]=3 487 B11R1.28 [13CH3]NC/C=C/c1ccccc1 34a_100020603302_200025704644 [1,0,0,0,0,0|2,0,0]=3 488 B11R1.28 [13CH3]NCC#Cc1ccccc1 34a_100000735379_200025704644 [1,0,0,0,0,0|2,0,1]=4 489 B11R1.28 [13CH3]NCCCc1ccccc1 2230a_100000211184_200025704644 [1,0,0,0,0,0|2,0,1]=4 490 B11R1.28 [13CH3]NCCCc1ccccc1 34a_100000211184_200025704644 [1,0,0,0,0,0|2,0,1]=4 491 B11R1.28 [13CH3]NCCOc1ccccc1 2230a_100000174943_200025704644 [1,0,0,0,0,0|3,0,0]=4 492 B11R1.28 [13CH3]NCCOc1ccccc1 34a_100000174943_200025704644 [1,0,0,0,0,0|3,0,0]=4 493 B11R1.28 [13CH3]NCCSc1ccccc1 2230a_100000189519_200025704644 [1,0,0,0,0,0|3,0,0]=4 494 B11R1.28 [13CH3]OC/C=C/c1ccccc1 34a_100000210256_200025704644 [1,0,0,0,0,0|2,0,0]=3 495 B11R1.28 [13CH3]OC/C=C/c1cccnc1 34a_200102594124_200025704644 [1,0,0,0,0,0|3,0,0]=4 496 B11R1.28 [13CH3]OCC#Cc1ccccc1 34a_100011217464_200025704644 [1,0,0,0,0,0|2,0,1]=4 497 B11R1.28 [13CH3]OCC#Cc1ccccc1 7a_100011217464_200025704644 [1,0,0,0,0,0|2,0,1]=4 498 B11R1.28 [13CH3]OCCCc1ccccc1 34a_100000210828_200025704644 [1,0,0,0,0,0|2,0,1]=4 499 B11R1.28 [13CH3]OCCCc1ccccc1 7a_100000210828_200025704644 [1,0,0,0,0,0|2,0,1]=4 500 B11R1.28 [13CH3]OCCNc1ccccc1 34a_100000211345_200025704644 [1,0,0,0,0,0|3,0,0]=4 501 B11R1.28 [13CH3]OCCOc1ccccc1 34a_100000210260_200025704644 [1,0,0,0,0,0|3,0,0]=4 502 B11R1.28 [13CH3]OCCOc1ccccc1 7a_100000210260_200025704644 [1,0,0,0,0,0|3,0,0]=4 503 B11R1.28 [13CH3]OCCSc1ccccc1 7a_100000230494_200025704644 [1,0,0,0,0,0|3,0,0]=4 504 B11R1.28 [13CH3]SC/C=C/c1ccccc1 62a_100016265936_200025704644 [1,0,0,0,0,0|2,0,0]=3 505 B11R1.28 [13CH3]SC/C=C/c1ccccc1 62a_200025704644_100016265936 [1,0,0,0,0,0|2,0,0]=3 506 B11R1.28 [13CH3]SCC#Cc1ccccc1 62a_200025704644_100011352542 [1,0,0,0,0,0|2,0,1]=4 507 B11R1.28 [13CH3]SCCCc1ccccc1 62a_100000211621_200025704644 [1,0,0,0,0,0|2,0,1]=4 508 B11R1.28 [13CH3]SCCCc1ccccc1 62a_200025704644_100000211621 [1,0,0,0,0,0|2,0,1]=4 509 B11R1.28 [13CH3]SCCOc1ccccc1 62a_100000184471_200025704644 [1,0,0,0,0,0|3,0,0]=4 510 B11R1.28 [13CH3]SCCOc1ccccc1 62a_200025704644_100000184471 [1,0,0,0,0,0|3,0,0]=4 511 B11R1.28 [13CH3]SCCSc1ccccc1 62a_100000246102_200025704644 [1,0,0,0,0,0|3,0,0]=4 512 B11R1.28 [13CH3]SCCSc1ccccc1 62a_200025704644_100000246102 [1,0,0,0,0,0|3,0,0]=4 513 B11R1.28 [13CH3]SCOCc1ccccc1 62a_100000763385_200025704644 [1,0,0,0,0,0|1,0,1]=3 514 B11R1.28 [13CH3]SCOCc1ccccc1 62a_200025704644_100000763385 [1,0,0,0,0,0|1,0,1]=3 515 B11R1.28 [13CH3]SCSCc1ccccc1 62a_200011217039_200025704644 [1,0,0,0,0,0|1,1,1]=4 516 B11R1.28 [13CH3]SCSCc1ccccc1 62a_200025704644_200011217039 [1,0,0,0,0,0|1,1,1]=4 517 B13R1.11 C#CC(C)NC(=O)c1ccccc1 11a_100000707721_100000185807 [0,1,0,0,0,0|1,0,2]=4 518 B13R1.11 C#CC(C)NC(=O)c1ccccc1 1626a_100000707721_100000185807 [0,1,0,0,0,0|1,0,2]=4 519 B13R1.11 C#CC(C)NC(=O)c1ccccc1 240690a_100000707721_100000185807 [0,1,0,0,0,0|1,0,2]=4 520 B13R1.11 C#CC(C)NC(=O)c1ccccc1 527a_100000707721_100000185807 [0,1,0,0,0,0|1,0,2]=4 521 B13R1.11 CC(C#N)NC(=O)c1ccccc1 11a_100000737613_100000185807 [0,1,0,0,0,0|2,0,1]=4 522 B13R1.11 CC(C#N)NC(=O)c1ccccc1 1626a_100000737613_100000185807 [0,1,0,0,0,0|2,0,1]=4 523 B13R1.11 CC(C#N)NC(=O)c1ccccc1 527a_100000737613_100000185807 [0,1,0,0,0,0|2,0,1]=4 524 B13R1.11 CC(CF)OC(C)c1ccccc1 34a_100016041109_100000211855 [0,1,0,0,0,0|2,0,1]=4 525 B13R1.11 CC(CF)OC(C)c1ccccc1 7a_100016041109_100000230085 [0,1,0,0,0,0|2,0,1]=4 526 B13R1.11 CC(CN)OC(C)c1ccccc1 34a_100000210904_100000211855 [0,1,0,0,0,0|2,0,1]=4 527 B13R1.11 CC(CO)O[C@H](C)c1ccccc1 34a_100000761318_100012180447 [0,1,0,0,0,0|2,0,1]=4 528 B13R1.11 CC(CO)O[C@H](C)c1ccccc1 7a_100000761318_100012180447 [0,1,0,0,0,0|2,0,1]=4 529 B13R1.11 CCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000210202 [0,1,0,0,0,0|2,0,1]=4 530 B13R1.11 CCC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000747405 [0,1,0,0,0,0|1,0,1]=3 531 B13R1.11 CCC(=O)CC(=O)c1ccccc1 1458a_100000210414_100000211460 [0,1,0,0,0,0|1,0,1]=3 532 B13R1.11 CCC(=O)CC(=O)c1ccccn1 1458a_100000210414_100000027445 [0,1,0,0,0,0|2,0,1]=4 533 B13R1.11 CCC(=O)CC(=O)c1cccnc1 1458a_100000210414_100015188593 [0,1,0,0,0,0|2,0,1]=4 534 B13R1.11 CCC(=O)CC(=O)c1ccncc1 1458a_100000210414_100000027454 [0,1,0,0,0,0|2,0,1]=4 535 B13R1.11 CCC(C)CC(=O)c1ccccc1 1458a_100000185807_100000748023 [0,1,0,0,0,0|1,0,0]=2 536 B13R1.11 CCC(C)CN(C)c1ccccc1 2230a_100000210012_100000748023 [0,1,0,0,0,0|3,0,0]=4 537 B13R1.11 CCC(C)CN(C)c1ccccc1 269982a_100000210012_100000748023 [0,1,0,0,0,0|3,0,0]=4 538 B13R1.11 CCC(C)CN(C)c1ccccc1 34a_100000210012_100000748023 [0,1,0,0,0,0|3,0,0]=4 539 B13R1.11 CCC(C)NC(=O)c1ccccc1 11a_100000209981_100000185807 [0,1,0,0,0,0|1,0,0]=2 540 B13R1.11 CCC(C)NC(=O)c1ccccc1 1626a_100000209981_100000185807 [0,1,0,0,0,0|1,0,0]=2 541 B13R1.11 CCC(C)NC(=O)c1ccccc1 240690a_100000209981_100000185807 [0,1,0,0,0,0|1,0,0]=2 542 B13R1.11 CCC(C)NC(=O)c1ccccc1 527a_100000209981_100000185807 [0,1,0,0,0,0|1,0,0]=2 543 B13R1.11 CCC(C)NC(C)c1ccccc1 2230a_100000209981_100000230085 [0,1,0,0,0,0|2,0,1]=4 544 B13R1.11 CCC(C)NC(C)c1ccccc1 269862a_100000209981_100000185851 [0,1,0,0,0,0|2,0,1]=4 545 B13R1.11 CCC(C)N[C@H](C)c1ccccc1 2230a_100000751104_100000758301 [0,1,0,0,0,0|2,0,1]=4 546 B13R1.11 CCC(C)OC(C)c1ccccc1 7a_100000210228_100000230085 [0,1,0,0,0,0|1,0,1]=3 547 B13R1.11 CCC(C)O[C@H](C)c1ccccc1 34a_100000761318_100011215416 [0,1,0,0,0,0|1,0,1]=3 548 B13R1.11 CCC(C)O[C@H](C)c1ccccc1 7a_100000761318_100000758301 [0,1,0,0,0,0|1,0,1]=3 549 B13R1.11 CCC(C)SC(C)c1ccccc1 62a_100000230085_100000758301 [0,1,0,0,0,0|1,1,1]=4 550 B13R1.11 CCC(C)SC(C)c1ccccc1 62a_100000758301_100000230085 [0,1,0,0,0,0|1,1,1]=4 551 B13R1.11 CCC(O)CC(=O)c1ccccc1 1458a_100000185807_100011218378 [0,1,0,0,0,0|1,0,0]=2 552 B13R1.11 CCC(O)CN(C)c1ccccc1 2230a_100000210012_100011218378 [0,1,0,0,0,0|3,0,0]=4 553 B13R1.11 CCC(O)CN(C)c1ccccc1 269982a_100000210012_100011218378 [0,1,0,0,0,0|3,0,0]=4 554 B13R1.11 CCC(O)CN(C)c1ccccc1 34a_100000210012_100011218378 [0,1,0,0,0,0|3,0,0]=4 555 B13R1.11 CCN(C)CC(=O)c1ccccc1 269982a_100000225621_100000211460 [0,1,0,0,0,0|2,0,0]=3 556 B13R1.11 CCN(C)CC(=O)c1ccccn1 269982a_100000225621_100000027445 [0,1,0,0,0,0|3,0,0]=4 557 B13R1.11 CCN(C)CC(=O)c1cccnc1 269982a_100000225621_100000757877 [0,1,0,0,0,0|3,0,0]=4 558 B13R1.11 CCN(C)CC(=O)c1ccncc1 269982a_100000225621_100000027454 [0,1,0,0,0,0|3,0,0]=4 559 B13R1.11 CCN(C)CS(=O)c1ccccc1 269982a_100000225621_100000031784 [0,1,0,0,0,0|3,0,0]=4 560 B13R1.11 CC[C@H](C)CC(=O)c1ccccc1 1458a_100000185807_100009816398 [0,1,0,0,0,0|1,0,0]=2 561 B13R1.11 CC[C@H](C)CN(C)c1ccccc1 2230a_100000210012_100009816398 [0,1,0,0,0,0|3,0,0]=4 562 B13R1.11 CC[C@H](C)CN(C)c1ccccc1 269982a_100000210012_100009816398 [0,1,0,0,0,0|3,0,0]=4 563 B13R1.11 CC[C@H](C)CN(C)c1ccccc1 34a_100000210012_100009816398 [0,1,0,0,0,0|3,0,0]=4 564 B13R1.11 CNC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000183359 [0,1,0,0,0,0|2,0,1]=4 565 B13R1.11 COC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000747449 [0,1,0,0,0,0|2,0,1]=4 566 B13R1.11 C[C@@H](CO)CC(=O)c1ccccc1 1458a_100000185807_100000059175 [0,1,0,0,0,0|2,0,0]=3 567 B13R1.11 C[C@H](CF)NC(=O)c1ccccc1 11a_100102880703_100000185807 [0,1,0,0,0,0|2,0,0]=3 568 B13R1.11 C[C@H](CF)NC(=O)c1ccccc1 1626a_100102880703_100000185807 [0,1,0,0,0,0|2,0,0]=3 569 B13R1.11 C[C@H](CF)NC(=O)c1ccccc1 240690a_100102880703_100000185807 [0,1,0,0,0,0|2,0,0]=3 570 B13R1.11 C[C@H](CF)NC(=O)c1ccccc1 527a_100102880703_100000185807 [0,1,0,0,0,0|2,0,0]=3 571 B13R1.11 C[C@H](CO)NC(=O)c1ccccc1 240690a_100000737577_100000185807 [0,1,0,0,0,0|2,0,0]=3 572 B13R1.11 C[C@H](CO)NC(=O)c1ccccc1 527a_100000737577_100000185807 [0,1,0,0,0,0|2,0,0]=3 573 B13R1.11 O=C(CO)CC(=O)c1ccccc1 1458a_100000210174_100000211460 [0,1,0,0,0,0|2,0,1]=4 574 B13R1.17 C#CCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000753159 [0,1,0,0,0,0|1,0,2]=4 575 B13R1.17 C#CCCC(=O)c1ccc(cc1)C 1458a_100000188618_100000753159 [0,1,0,0,0,0|1,0,2]=4 576 B13R1.17 C#CCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000753159 [0,1,0,0,0,0|1,0,2]=4 577 B13R1.17 C#CCCC(=O)c1ccc(cc1)F 1458a_100000187176_100000753159 [0,1,0,0,0,0|1,0,2]=4 578 B13R1.17 C#CCCC(=O)c1ccc(cc1)I 1458a_100000187904_100000753159 [0,1,0,0,0,0|1,0,2]=4 579 B13R1.17 C#CCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000753159 [0,1,0,0,0,0|1,0,2]=4 580 B13R1.17 C#CCNC(=O)c1ccc(cc1)Br 11a_100000212058_100000185839 [0,1,0,0,0,0|1,0,2]=4 581 B13R1.17 C#CCNC(=O)c1ccc(cc1)Br 1626a_100000212058_100000185839 [0,1,0,0,0,0|1,0,2]=4 582 B13R1.17 C#CCNC(=O)c1ccc(cc1)Br 240690a_100000212058_100000185839 [0,1,0,0,0,0|1,0,2]=4 583 B13R1.17 C#CCNC(=O)c1ccc(cc1)Br 527a_100000212058_100000185839 [0,1,0,0,0,0|1,0,2]=4 584 B13R1.17 C#CCNC(=O)c1ccc(cc1)C 11a_100000212058_100000188618 [0,1,0,0,0,0|1,0,2]=4 585 B13R1.17 C#CCNC(=O)c1ccc(cc1)C 1626a_100000212058_100000188618 [0,1,0,0,0,0|1,0,2]=4 586 B13R1.17 C#CCNC(=O)c1ccc(cc1)C 240690a_100000212058_100000188618 [0,1,0,0,0,0|1,0,2]=4 587 B13R1.17 C#CCNC(=O)c1ccc(cc1)C 527a_100000212058_100000188618 [0,1,0,0,0,0|1,0,2]=4 588 B13R1.17 C#CCNC(=O)c1ccc(cc1)Cl 11a_100000212058_100000210187 [0,1,0,0,0,0|1,0,2]=4 589 B13R1.17 C#CCNC(=O)c1ccc(cc1)Cl 1626a_100000212058_100000210187 [0,1,0,0,0,0|1,0,2]=4 590 B13R1.17 C#CCNC(=O)c1ccc(cc1)Cl 240690a_100000212058_100000210187 [0,1,0,0,0,0|1,0,2]=4 591 B13R1.17 C#CCNC(=O)c1ccc(cc1)Cl 527a_100000212058_100000210187 [0,1,0,0,0,0|1,0,2]=4 592 B13R1.17 C#CCNC(=O)c1ccc(cc1)F 11a_100000212058_100000187176 [0,1,0,0,0,0|1,0,2]=4 593 B13R1.17 C#CCNC(=O)c1ccc(cc1)F 1626a_100000212058_100000187176 [0,1,0,0,0,0|1,0,2]=4 594 B13R1.17 C#CCNC(=O)c1ccc(cc1)F 240690a_100000212058_100000187176 [0,1,0,0,0,0|1,0,2]=4 595 B13R1.17 C#CCNC(=O)c1ccc(cc1)F 527a_100000212058_100000187176 [0,1,0,0,0,0|1,0,2]=4 596 B13R1.17 C#CCNC(=O)c1ccc(cc1)I 11a_100000212058_100000187904 [0,1,0,0,0,0|1,0,2]=4 597 B13R1.17 C#CCNC(=O)c1ccc(cc1)I 1626a_100000212058_100000187904 [0,1,0,0,0,0|1,0,2]=4 598 B13R1.17 C#CCNC(=O)c1ccc(cc1)I 240690a_100000212058_100000187904 [0,1,0,0,0,0|1,0,2]=4 599 B13R1.17 C#CCNC(=O)c1ccc(cc1)I 527a_100000212058_100000187904 [0,1,0,0,0,0|1,0,2]=4 600 B13R1.17 C#CCNC(=O)c1ccc(cc1)O 240690a_100000212058_100000212099 [0,1,0,0,0,0|1,0,2]=4 601 B13R1.17 C#CCNC(=O)c1ccc(cc1)O 527a_100000212058_100000212099 [0,1,0,0,0,0|1,0,2]=4 602 B13R1.17 C/C=C/CC(=O)c1ccc(cc1)Br 1458a_100000185839_100102629194 [0,1,0,0,0,0|1,0,2]=4 603 B13R1.17 C/C=C/CC(=O)c1ccc(cc1)C 1458a_100000188618_100102629194 [0,1,0,0,0,0|1,0,2]=4 604 B13R1.17 C/C=C/CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100102629194 [0,1,0,0,0,0|1,0,2]=4 605 B13R1.17 C/C=C/CC(=O)c1ccc(cc1)F 1458a_100000187176_100102629194 [0,1,0,0,0,0|1,0,2]=4 606 B13R1.17 C/C=C/CC(=O)c1ccc(cc1)I 1458a_100000187904_100102629194 [0,1,0,0,0,0|1,0,2]=4 607 B13R1.17 C/C=C/CC(=O)c1ccc(cc1)O 1458a_100000212099_100102629194 [0,1,0,0,0,0|1,0,2]=4 608 B13R1.17 C=CCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000754431 [0,1,0,0,0,0|1,0,2]=4 609 B13R1.17 C=CCCC(=O)c1ccc(cc1)C 1458a_100000188618_100000754431 [0,1,0,0,0,0|1,0,2]=4 610 B13R1.17 C=CCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000754431 [0,1,0,0,0,0|1,0,2]=4 611 B13R1.17 C=CCCC(=O)c1ccc(cc1)F 1458a_100000187176_100000754431 [0,1,0,0,0,0|1,0,2]=4 612 B13R1.17 C=CCCC(=O)c1ccc(cc1)I 1458a_100000187904_100000754431 [0,1,0,0,0,0|1,0,2]=4 613 B13R1.17 C=CCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000754431 [0,1,0,0,0,0|1,0,2]=4 614 B13R1.17 C=CCCC(=O)c1ccc(cc1)O 271570a_203496583355_200012050250 [0,1,0,0,0,0|1,0,2]=4 615 B13R1.17 C=CCNC(=O)c1ccc(cc1)Br 1626a_100020586998_100000185839 [0,1,0,0,0,0|1,0,2]=4 616 B13R1.17 C=CCNC(=O)c1ccc(cc1)Br 240690a_100020586998_100000185839 [0,1,0,0,0,0|1,0,2]=4 617 B13R1.17 C=CCNC(=O)c1ccc(cc1)Br 527a_100020586998_100000185839 [0,1,0,0,0,0|1,0,2]=4 618 B13R1.17 C=CCNC(=O)c1ccc(cc1)C 1626a_100020586998_100000188618 [0,1,0,0,0,0|1,0,2]=4 619 B13R1.17 C=CCNC(=O)c1ccc(cc1)C 240690a_100020586998_100000188618 [0,1,0,0,0,0|1,0,2]=4 620 B13R1.17 C=CCNC(=O)c1ccc(cc1)C 527a_100020586998_100000188618 [0,1,0,0,0,0|1,0,2]=4 621 B13R1.17 C=CCNC(=O)c1ccc(cc1)Cl 1626a_100020586998_100000210187 [0,1,0,0,0,0|1,0,2]=4 622 B13R1.17 C=CCNC(=O)c1ccc(cc1)Cl 240690a_100020586998_100000210187 [0,1,0,0,0,0|1,0,2]=4 623 B13R1.17 C=CCNC(=O)c1ccc(cc1)Cl 527a_100020586998_100000210187 [0,1,0,0,0,0|1,0,2]=4 624 B13R1.17 C=CCNC(=O)c1ccc(cc1)F 1626a_100020586998_100000187176 [0,1,0,0,0,0|1,0,2]=4 625 B13R1.17 C=CCNC(=O)c1ccc(cc1)F 240690a_100020586998_100000187176 [0,1,0,0,0,0|1,0,2]=4 626 B13R1.17 C=CCNC(=O)c1ccc(cc1)F 527a_100020586998_100000187176 [0,1,0,0,0,0|1,0,2]=4 627 B13R1.17 C=CCNC(=O)c1ccc(cc1)I 1626a_100020586998_100000187904 [0,1,0,0,0,0|1,0,2]=4 628 B13R1.17 C=CCNC(=O)c1ccc(cc1)I 240690a_100020586998_100000187904 [0,1,0,0,0,0|1,0,2]=4 629 B13R1.17 C=CCNC(=O)c1ccc(cc1)I 527a_100020586998_100000187904 [0,1,0,0,0,0|1,0,2]=4 630 B13R1.17 C=CCNC(=O)c1ccc(cc1)O 240690a_100020586998_100000212099 [0,1,0,0,0,0|1,0,2]=4 631 B13R1.17 C=CCNC(=O)c1ccc(cc1)O 527a_100020586998_100000212099 [0,1,0,0,0,0|1,0,2]=4 632 B13R1.17 CC#CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000748600 [0,1,0,0,0,0|1,0,2]=4 633 B13R1.17 CC#CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000748600 [0,1,0,0,0,0|1,0,2]=4 634 B13R1.17 CC#CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000748600 [0,1,0,0,0,0|1,0,2]=4 635 B13R1.17 CC#CCC(=O)c1ccc(cc1)F 1458a_100000187176_100000748600 [0,1,0,0,0,0|1,0,2]=4 636 B13R1.17 CC#CCC(=O)c1ccc(cc1)I 1458a_100000187904_100000748600 [0,1,0,0,0,0|1,0,2]=4 637 B13R1.17 CC#CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000748600 [0,1,0,0,0,0|1,0,2]=4 638 B13R1.17 CC(OCCBr)c1ccc(cc1)Br 34a_100000211926_100000755118 [0,1,0,0,0,0|2,0,1]=4 639 B13R1.17 CC(OCCBr)c1ccc(cc1)F 34a_100000211926_100000743420 [0,1,0,0,0,0|2,0,1]=4 640 B13R1.17 CC(OCCF)c1ccc(cc1)Br 34a_100000745893_100011217306 [0,1,0,0,0,0|2,0,1]=4 641 B13R1.17 CC(OCCF)c1ccc(cc1)Br 7a_100000745893_100011217306 [0,1,0,0,0,0|2,0,1]=4 642 B13R1.17 CC(OCCF)c1ccc(cc1)F 34a_100000181323_100011217306 [0,1,0,0,0,0|2,0,1]=4 643 B13R1.17 CC(OCCF)c1ccc(cc1)F 7a_100000181323_100011217306 [0,1,0,0,0,0|2,0,1]=4 644 B13R1.17 CC(OCCF)c1ccc(cc1)N 34a_100011216399_100011217306 [0,1,0,0,0,0|2,0,1]=4 645 B13R1.17 CC(OCCN)c1ccc(cc1)Br 34a_100000210304_100000755118 [0,1,0,0,0,0|2,0,1]=4 646 B13R1.17 CC(OCCN)c1ccc(cc1)F 34a_100000210304_100000743420 [0,1,0,0,0,0|2,0,1]=4 647 B13R1.17 CC(OCCO)c1ccc(cc1)Br 34a_100000745893_100000211926 [0,1,0,0,0,0|2,0,1]=4 648 B13R1.17 CC(OCCO)c1ccc(cc1)Br 7a_100000745893_100000211926 [0,1,0,0,0,0|2,0,1]=4 649 B13R1.17 CC(OCCO)c1ccc(cc1)F 34a_100000181323_100000211926 [0,1,0,0,0,0|2,0,1]=4 650 B13R1.17 CC(OCCO)c1ccc(cc1)F 7a_100000181323_100000211926 [0,1,0,0,0,0|2,0,1]=4 651 B13R1.17 CC(OCCO)c1ccc(cc1)N 34a_100011216399_100000211926 [0,1,0,0,0,0|2,0,1]=4 652 B13R1.17 CC=CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000070051 [0,1,0,0,0,0|1,0,2]=4 653 B13R1.17 CC=CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000070051 [0,1,0,0,0,0|1,0,2]=4 654 B13R1.17 CC=CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000070051 [0,1,0,0,0,0|1,0,2]=4 655 B13R1.17 CC=CCC(=O)c1ccc(cc1)F 1458a_100000187176_100000070051 [0,1,0,0,0,0|1,0,2]=4 656 B13R1.17 CC=CCC(=O)c1ccc(cc1)I 1458a_100000187904_100000070051 [0,1,0,0,0,0|1,0,2]=4 657 B13R1.17 CC=CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000070051 [0,1,0,0,0,0|1,0,2]=4 658 B13R1.17 CC=NNC(=O)c1ccc(cc1)Br 4a_100000183614_200000210099 [0,1,0,0,0,0|2,0,1]=4 659 B13R1.17 CC=NNC(=O)c1ccc(cc1)C 4a_100000189790_200000210099 [0,1,0,0,0,0|2,0,1]=4 660 B13R1.17 CC=NNC(=O)c1ccc(cc1)Cl 4a_100000184390_200000210099 [0,1,0,0,0,0|2,0,1]=4 661 B13R1.17 CC=NNC(=O)c1ccc(cc1)F 4a_100000182866_200000210099 [0,1,0,0,0,0|2,0,1]=4 662 B13R1.17 CC=NNC(=O)c1ccc(cc1)I 4a_100000189773_200000210099 [0,1,0,0,0,0|2,0,1]=4 663 B13R1.17 CCCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210211 [0,1,0,0,0,0|1,0,0]=2 664 B13R1.17 CCCCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210211 [0,1,0,0,0,0|1,0,0]=2 665 B13R1.17 CCCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210211 [0,1,0,0,0,0|1,0,0]=2 666 B13R1.17 CCCCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210211 [0,1,0,0,0,0|1,0,0]=2 667 B13R1.17 CCCCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210211 [0,1,0,0,0,0|1,0,0]=2 668 B13R1.17 CCCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210211 [0,1,0,0,0,0|1,0,0]=2 669 B13R1.17 CCCCC(=O)c1ccc(cc1)O 271570a_203496583355_100011215321 [0,1,0,0,0,0|1,0,0]=2 670 B13R1.17 CCCCN(C)c1ccc(cc1)Br 2230a_100000219623_100000210211 [0,1,0,0,0,0|3,0,0]=4 671 B13R1.17 CCCCN(C)c1ccc(cc1)Br 269982a_100000219623_100000210211 [0,1,0,0,0,0|3,0,0]=4 672 B13R1.17 CCCCN(C)c1ccc(cc1)Br 34a_100000219623_100000210210 [0,1,0,0,0,0|3,0,0]=4 673 B13R1.17 CCCCN(C)c1ccc(cc1)C 2230a_100000219977_100000210211 [0,1,0,0,0,0|3,0,0]=4 674 B13R1.17 CCCCN(C)c1ccc(cc1)C 269982a_100000219977_100000210211 [0,1,0,0,0,0|3,0,0]=4 675 B13R1.17 CCCCN(C)c1ccc(cc1)C 34a_100000219977_100000210210 [0,1,0,0,0,0|3,0,0]=4 676 B13R1.17 CCCCN(C)c1ccc(cc1)Cl 2230a_100020629279_100000210211 [0,1,0,0,0,0|3,0,0]=4 677 B13R1.17 CCCCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000210211 [0,1,0,0,0,0|3,0,0]=4 678 B13R1.17 CCCCN(C)c1ccc(cc1)Cl 34a_100020629279_100000210210 [0,1,0,0,0,0|3,0,0]=4 679 B13R1.17 CCCCN(C)c1ccc(cc1)F 2230a_100000219829_100000210211 [0,1,0,0,0,0|3,0,0]=4 680 B13R1.17 CCCCN(C)c1ccc(cc1)F 269982a_100000219829_100000210211 [0,1,0,0,0,0|3,0,0]=4 681 B13R1.17 CCCCN(C)c1ccc(cc1)F 34a_100000219829_100000210210 [0,1,0,0,0,0|3,0,0]=4 682 B13R1.17 CCCCN(C)c1ccc(cc1)I 2230a_100000743151_100000210211 [0,1,0,0,0,0|3,0,0]=4 683 B13R1.17 CCCCN(C)c1ccc(cc1)I 269982a_100000743151_100000210211 [0,1,0,0,0,0|3,0,0]=4 684 B13R1.17 CCCCN(C)c1ccc(cc1)I 34a_100000743151_100000210210 [0,1,0,0,0,0|3,0,0]=4 685 B13R1.17 CCCCN(C)c1ccc(cc1)O 269982a_100000182112_100000210211 [0,1,0,0,0,0|3,0,0]=4 686 B13R1.17 CCCCN(C)c1ccc(cc1)O 34a_100000182112_100000210210 [0,1,0,0,0,0|3,0,0]=4 687 B13R1.17 CCCCS(=O)c1ccc(cc1)O 271570a_203496583355_100016336038 [0,1,0,0,0,0|2,0,0]=3 688 B13R1.17 CCCNC(=O)c1ccc(cc1)Br 11a_100020643023_100000185839 [0,1,0,0,0,0|1,0,0]=2 689 B13R1.17 CCCNC(=O)c1ccc(cc1)Br 1626a_100020643023_100000185839 [0,1,0,0,0,0|1,0,0]=2 690 B13R1.17 CCCNC(=O)c1ccc(cc1)Br 240690a_100020643023_100000185839 [0,1,0,0,0,0|1,0,0]=2 691 B13R1.17 CCCNC(=O)c1ccc(cc1)Br 527a_100020643023_100000185839 [0,1,0,0,0,0|1,0,0]=2 692 B13R1.17 CCCNC(=O)c1ccc(cc1)C 11a_100020643023_100000188618 [0,1,0,0,0,0|1,0,0]=2 693 B13R1.17 CCCNC(=O)c1ccc(cc1)C 1626a_100020643023_100000188618 [0,1,0,0,0,0|1,0,0]=2 694 B13R1.17 CCCNC(=O)c1ccc(cc1)C 240690a_100020643023_100000188618 [0,1,0,0,0,0|1,0,0]=2 695 B13R1.17 CCCNC(=O)c1ccc(cc1)C 527a_100020643023_100000188618 [0,1,0,0,0,0|1,0,0]=2 696 B13R1.17 CCCNC(=O)c1ccc(cc1)Cl 11a_100020643023_100000210187 [0,1,0,0,0,0|1,0,0]=2 697 B13R1.17 CCCNC(=O)c1ccc(cc1)Cl 1626a_100020643023_100000210187 [0,1,0,0,0,0|1,0,0]=2 698 B13R1.17 CCCNC(=O)c1ccc(cc1)Cl 240690a_100020643023_100000210187 [0,1,0,0,0,0|1,0,0]=2 699 B13R1.17 CCCNC(=O)c1ccc(cc1)Cl 527a_100020643023_100000210187 [0,1,0,0,0,0|1,0,0]=2 700 B13R1.17 CCCNC(=O)c1ccc(cc1)F 11a_100020643023_100000187176 [0,1,0,0,0,0|1,0,0]=2 701 B13R1.17 CCCNC(=O)c1ccc(cc1)F 1626a_100020643023_100000187176 [0,1,0,0,0,0|1,0,0]=2 702 B13R1.17 CCCNC(=O)c1ccc(cc1)F 240690a_100020643023_100000187176 [0,1,0,0,0,0|1,0,0]=2 703 B13R1.17 CCCNC(=O)c1ccc(cc1)F 527a_100020643023_100000187176 [0,1,0,0,0,0|1,0,0]=2 704 B13R1.17 CCCNC(=O)c1ccc(cc1)I 11a_100020643023_100000187904 [0,1,0,0,0,0|1,0,0]=2 705 B13R1.17 CCCNC(=O)c1ccc(cc1)I 1626a_100020643023_100000187904 [0,1,0,0,0,0|1,0,0]=2 706 B13R1.17 CCCNC(=O)c1ccc(cc1)I 240690a_100020643023_100000187904 [0,1,0,0,0,0|1,0,0]=2 707 B13R1.17 CCCNC(=O)c1ccc(cc1)I 527a_100020643023_100000187904 [0,1,0,0,0,0|1,0,0]=2 708 B13R1.17 CCCNC(=O)c1ccc(cc1)O 240690a_100020643023_100000212099 [0,1,0,0,0,0|1,0,0]=2 709 B13R1.17 CCCNC(=O)c1ccc(cc1)O 271570a_203496583355_200000152267 [0,1,0,0,0,0|1,0,0]=2 710 B13R1.17 CCCNC(=O)c1ccc(cc1)O 527a_100020643023_100000212099 [0,1,0,0,0,0|1,0,0]=2 711 B13R1.17 CCCNC(=O)c1ccc(cn1)O 271570a_203496583355_100011781247 [0,1,0,0,0,0|2,0,0]=3 712 B13R1.17 CCCNC(=O)c1ccc(nc1)O 271570a_203496583355_100000161739 [0,1,0,0,0,0|2,0,0]=3 713 B13R1.17 CCCNC(C)c1ccc(cc1)Br 269862a_100020643023_100000185794 [0,1,0,0,0,0|2,0,1]=4 714 B13R1.17 CCCNC(C)c1ccc(cc1)C 269862a_100020643023_100000185793 [0,1,0,0,0,0|2,0,1]=4 715 B13R1.17 CCCNC(C)c1ccc(cc1)Cl 269862a_100020643023_100000185797 [0,1,0,0,0,0|2,0,1]=4 716 B13R1.17 CCCNC(C)c1ccc(cc1)F 269862a_100020643023_100000185800 [0,1,0,0,0,0|2,0,1]=4 717 B13R1.17 CCCNC(C)c1ccc(cc1)I 269862a_100020643023_100000185465 [0,1,0,0,0,0|2,0,1]=4 718 B13R1.17 CCCN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100000210303 [0,1,0,0,0,0|2,0,1]=4 719 B13R1.17 CCCN[C@@H](C)c1ccc(cc1)F 34a_100025705893_100000210303 [0,1,0,0,0,0|2,0,1]=4 720 B13R1.17 CCCN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100000210303 [0,1,0,0,0,0|2,0,1]=4 721 B13R1.17 CCCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000210303 [0,1,0,0,0,0|2,0,1]=4 722 B13R1.17 CCCN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100000210303 [0,1,0,0,0,0|2,0,1]=4 723 B13R1.17 CCCN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100000210303 [0,1,0,0,0,0|2,0,1]=4 724 B13R1.17 CCCN[C@H](C)c1ccc(cc1)C 34a_100016988085_100000210303 [0,1,0,0,0,0|2,0,1]=4 725 B13R1.17 CCCN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100000210303 [0,1,0,0,0,0|2,0,1]=4 726 B13R1.17 CCCN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100000210303 [0,1,0,0,0,0|2,0,1]=4 727 B13R1.17 CCCOC(C)c1ccc(cc1)Br 34a_100000210258_100000755118 [0,1,0,0,0,0|1,0,1]=3 728 B13R1.17 CCCOC(C)c1ccc(cc1)Br 34a_100000745893_100000210303 [0,1,0,0,0,0|1,0,1]=3 729 B13R1.17 CCCOC(C)c1ccc(cc1)Br 7a_100000745893_100000210303 [0,1,0,0,0,0|1,0,1]=3 730 B13R1.17 CCCOC(C)c1ccc(cc1)C 34a_100000210258_100011261388 [0,1,0,0,0,0|1,0,1]=3 731 B13R1.17 CCCOC(C)c1ccc(cc1)F 34a_100000181323_100000210303 [0,1,0,0,0,0|1,0,1]=3 732 B13R1.17 CCCOC(C)c1ccc(cc1)F 34a_100000210258_100000743420 [0,1,0,0,0,0|1,0,1]=3 733 B13R1.17 CCCOC(C)c1ccc(cc1)F 7a_100000181323_100000210303 [0,1,0,0,0,0|1,0,1]=3 734 B13R1.17 CCCOC(C)c1ccc(cc1)N 34a_100011216399_100000210303 [0,1,0,0,0,0|1,0,1]=3 735 B13R1.17 CCCOC(C)c1ccc(cn1)Br 34a_100012353650_100000210303 [0,1,0,0,0,0|2,0,1]=4 736 B13R1.17 CCCOC(C)c1ccc(cn1)Br 7a_100012353650_100000210303 [0,1,0,0,0,0|2,0,1]=4 737 B13R1.17 CCCOC(C)c1ccc(nc1)Br 34a_200010274204_100000210303 [0,1,0,0,0,0|2,0,1]=4 738 B13R1.17 CCCOC(C)c1ccc(nc1)Br 7a_200010274204_100000210303 [0,1,0,0,0,0|2,0,1]=4 739 B13R1.17 CCCOC(C)c1ccc(nc1)C 34a_200011815720_100000210303 [0,1,0,0,0,0|2,0,1]=4 740 B13R1.17 CCCOC(C)c1ccc(nc1)C 7a_200011815720_100000210303 [0,1,0,0,0,0|2,0,1]=4 741 B13R1.17 CCCOC(C)c1ccc(nc1)Cl 34a_200012017543_100000210303 [0,1,0,0,0,0|2,0,1]=4 742 B13R1.17 CCCOC(C)c1ccc(nc1)Cl 7a_200012017543_100000210303 [0,1,0,0,0,0|2,0,1]=4 743 B13R1.17 CCCO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100000210303 [0,1,0,0,0,0|1,0,1]=3 744 B13R1.17 CCCO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100000210303 [0,1,0,0,0,0|1,0,1]=3 745 B13R1.17 CCCO[C@H](C)c1ccc(cc1)C 34a_100000690690_100000210303 [0,1,0,0,0,0|1,0,1]=3 746 B13R1.17 CCCO[C@H](C)c1ccc(cc1)C 7a_100000690690_100000210303 [0,1,0,0,0,0|1,0,1]=3 747 B13R1.17 CCCSC(C)c1ccc(cc1)Br 62a_100000210303_100000755118 [0,1,0,0,0,0|1,1,1]=4 748 B13R1.17 CCCSC(C)c1ccc(cc1)Br 62a_100000755118_100000210303 [0,1,0,0,0,0|1,1,1]=4 749 B13R1.17 CCCSC(C)c1ccc(cc1)C 62a_100000210303_100011261388 [0,1,0,0,0,0|1,1,1]=4 750 B13R1.17 CCCSC(C)c1ccc(cc1)C 62a_100011261388_100000210303 [0,1,0,0,0,0|1,1,1]=4 751 B13R1.17 CCCSC(C)c1ccc(cc1)Cl 62a_100000210303_100000684792 [0,1,0,0,0,0|1,1,1]=4 752 B13R1.17 CCCSC(C)c1ccc(cc1)Cl 62a_100000684792_100000210303 [0,1,0,0,0,0|1,1,1]=4 753 B13R1.17 CCCSC(C)c1ccc(cc1)F 62a_100000210303_100000743420 [0,1,0,0,0,0|1,1,1]=4 754 B13R1.17 CCCSC(C)c1ccc(cc1)F 62a_100000743420_100000210303 [0,1,0,0,0,0|1,1,1]=4 755 B13R1.17 CCNCC(=O)c1ccc(cc1)C 2230a_100015525214_100000211441 [0,1,0,0,0,0|2,0,0]=3 756 B13R1.17 CCNN=C(C)c1ccc(cc1)Br 4a_100000756455_100000185794 [0,1,0,0,0,0|3,0,0]=4 757 B13R1.17 CCNN=C(C)c1ccc(cc1)C 4a_100000756455_100000185793 [0,1,0,0,0,0|3,0,0]=4 758 B13R1.17 CCNN=C(C)c1ccc(cc1)Cl 4a_100000756455_100000185797 [0,1,0,0,0,0|3,0,0]=4 759 B13R1.17 CCNN=C(C)c1ccc(cc1)F 4a_100000756455_100000185800 [0,1,0,0,0,0|3,0,0]=4 760 B13R1.17 CCNN=C(C)c1ccc(cc1)I 4a_100000756455_100000185465 [0,1,0,0,0,0|3,0,0]=4 761 B13R1.17 CCNN=C(C)c1ccc(cc1)O 4a_100000756455_100000185113 [0,1,0,0,0,0|3,0,0]=4 762 B13R1.17 CCNNC(=O)c1ccc(cc1)Br 22a_100000756455_100000185839 [0,1,0,0,0,0|2,0,0]=3 763 B13R1.17 CCNNC(=O)c1ccc(cc1)C 22a_100000756455_100000188618 [0,1,0,0,0,0|2,0,0]=3 764 B13R1.17 CCNNC(=O)c1ccc(cc1)Cl 22a_100000756455_100000210187 [0,1,0,0,0,0|2,0,0]=3 765 B13R1.17 CCNNC(=O)c1ccc(cc1)F 22a_100000756455_100000187176 [0,1,0,0,0,0|2,0,0]=3 766 B13R1.17 CCNNC(=O)c1ccc(cc1)I 22a_100000756455_100000187904 [0,1,0,0,0,0|2,0,0]=3 767 B13R1.17 CCNNC(=O)c1ccc(cc1)O 22a_100000756455_100000212099 [0,1,0,0,0,0|2,0,0]=3 768 B13R1.17 CCOCC(=O)c1ccc(cc1)Br 34a_100121572206_100000188085 [0,1,0,0,0,0|2,0,0]=3 769 B13R1.17 CCOCC(=O)c1ccc(cc1)C 34a_100121572206_100000211441 [0,1,0,0,0,0|2,0,0]=3 770 B13R1.17 CCOCC(=O)c1ccc(cc1)F 34a_100000246311_100000210202 [0,1,0,0,0,0|2,0,0]=3 771 B13R1.17 CCOCC(=O)c1ccc(cc1)I 34a_100121572206_100011216261 [0,1,0,0,0,0|2,0,0]=3 772 B13R1.17 CCOCC(=O)c1ccc(cc1)O 34a_100121572206_100009814261 [0,1,0,0,0,0|2,0,0]=3 773 B13R1.17 CCSCC(=O)c1ccc(cc1)Br 62a_100000188085_100000210202 [0,1,0,0,0,0|2,0,0]=3 774 B13R1.17 CCSCC(=O)c1ccc(cc1)C 62a_100000210202_100000211441 [0,1,0,0,0,0|2,0,0]=3 775 B13R1.17 CCSCC(=O)c1ccc(cc1)C 62a_100000211441_100000210202 [0,1,0,0,0,0|2,0,0]=3 776 B13R1.17 CCSCC(=O)c1ccc(cc1)Cl 62a_100000210202_100000211071 [0,1,0,0,0,0|2,0,0]=3 777 B13R1.17 CCSCC(=O)c1ccc(cc1)Cl 62a_100000211071_100000210202 [0,1,0,0,0,0|2,0,0]=3 778 B13R1.17 CCSCC(=O)c1ccc(cc1)F 62a_100000210202_100000211279 [0,1,0,0,0,0|2,0,0]=3 779 B13R1.17 CCSCC(=O)c1ccc(cc1)F 62a_100000211279_100000210202 [0,1,0,0,0,0|2,0,0]=3 780 B13R1.17 CCSCC(=O)c1ccc(cc1)I 62a_100000210202_100011216261 [0,1,0,0,0,0|2,0,0]=3 781 B13R1.17 CCSCC(=O)c1ccc(cc1)I 62a_100011216261_100000210202 [0,1,0,0,0,0|2,0,0]=3 782 B13R1.17 CCSCC(=O)c1ccc(cc1)O 62a_100000210202_100009814261 [0,1,0,0,0,0|2,0,0]=3 783 B13R1.17 CCSCC(=O)c1ccc(cc1)O 62a_100009814261_100000210202 [0,1,0,0,0,0|2,0,0]=3 784 B13R1.17 CCSCC(=O)c1ccc(cn1)Cl 62a_100000210202_100016989621 [0,1,0,0,0,0|3,0,0]=4 785 B13R1.17 CCSCC(=O)c1ccc(cn1)Cl 62a_100016989621_100000210202 [0,1,0,0,0,0|3,0,0]=4 786 B13R1.17 CCSCC(=O)c1ccc(nc1)C 62a_100000210202_100012027583 [0,1,0,0,0,0|3,0,0]=4 787 B13R1.17 CCSCC(=O)c1ccc(nc1)C 62a_100012027583_100000210202 [0,1,0,0,0,0|3,0,0]=4 788 B13R1.17 CCSCC(=O)c1ccc(nc1)Cl 62a_100000210202_100009864725 [0,1,0,0,0,0|3,0,0]=4 789 B13R1.17 CCSCC(=O)c1ccc(nc1)Cl 62a_100009864725_100000210202 [0,1,0,0,0,0|3,0,0]=4 790 B13R1.17 CNCCC(=O)c1ccc(cc1)Br 7a_106832991635_100011215963 [0,1,0,0,0,0|2,0,0]=3 791 B13R1.17 CNCCC(=O)c1ccc(cc1)C 2230a_106832991635_100000701375 [0,1,0,0,0,0|2,0,0]=3 792 B13R1.17 CNCCC(=O)c1ccc(cc1)C 7a_106832991635_100000701375 [0,1,0,0,0,0|2,0,0]=3 793 B13R1.17 CNCCC(=O)c1ccc(cc1)Cl 7a_106832991635_100011216492 [0,1,0,0,0,0|2,0,0]=3 794 B13R1.17 CNCCC(=O)c1ccc(cc1)F 2230a_106832991635_100000211231 [0,1,0,0,0,0|2,0,0]=3 795 B13R1.17 CNCCC(=O)c1ccc(cc1)F 7a_106832991635_100000211231 [0,1,0,0,0,0|2,0,0]=3 796 B13R1.17 CNCCC(=O)c1ccc(cc1)O 2230a_106832991635_100009879949 [0,1,0,0,0,0|2,0,0]=3 797 B13R1.17 CNCCC(=O)c1ccc(cc1)O 7a_106832991635_100009879949 [0,1,0,0,0,0|2,0,0]=3 798 B13R1.17 COCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000233755 [0,1,0,0,0,0|2,0,0]=3 799 B13R1.17 COCCC(=O)c1ccc(cc1)C 1458a_100000188618_100000233755 [0,1,0,0,0,0|2,0,0]=3 800 B13R1.17 COCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000233755 [0,1,0,0,0,0|2,0,0]=3 801 B13R1.17 COCCC(=O)c1ccc(cc1)F 1458a_100000187176_100000233755 [0,1,0,0,0,0|2,0,0]=3 802 B13R1.17 COCCC(=O)c1ccc(cc1)I 1458a_100000187904_100000233755 [0,1,0,0,0,0|2,0,0]=3 803 B13R1.17 COCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000233755 [0,1,0,0,0,0|2,0,0]=3 804 B13R1.17 CSCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000751147 [0,1,0,0,0,0|2,0,0]=3 805 B13R1.17 CSCCC(=O)c1ccc(cc1)Br 62a_100011215963_200000210301 [0,1,0,0,0,0|2,0,0]=3 806 B13R1.17 CSCCC(=O)c1ccc(cc1)Br 62a_200000210301_100011215963 [0,1,0,0,0,0|2,0,0]=3 807 B13R1.17 CSCCC(=O)c1ccc(cc1)C 1458a_100000188618_100000751147 [0,1,0,0,0,0|2,0,0]=3 808 B13R1.17 CSCCC(=O)c1ccc(cc1)C 62a_100000701375_200000210301 [0,1,0,0,0,0|2,0,0]=3 809 B13R1.17 CSCCC(=O)c1ccc(cc1)C 62a_200000210301_100000701375 [0,1,0,0,0,0|2,0,0]=3 810 B13R1.17 CSCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000751147 [0,1,0,0,0,0|2,0,0]=3 811 B13R1.17 CSCCC(=O)c1ccc(cc1)Cl 62a_100011216492_200000210301 [0,1,0,0,0,0|2,0,0]=3 812 B13R1.17 CSCCC(=O)c1ccc(cc1)Cl 62a_200000210301_100011216492 [0,1,0,0,0,0|2,0,0]=3 813 B13R1.17 CSCCC(=O)c1ccc(cc1)F 1458a_100000187176_100000751147 [0,1,0,0,0,0|2,0,0]=3 814 B13R1.17 CSCCC(=O)c1ccc(cc1)F 62a_100000211231_200000210301 [0,1,0,0,0,0|2,0,0]=3 815 B13R1.17 CSCCC(=O)c1ccc(cc1)F 62a_200000210301_100000211231 [0,1,0,0,0,0|2,0,0]=3 816 B13R1.17 CSCCC(=O)c1ccc(cc1)I 1458a_100000187904_100000751147 [0,1,0,0,0,0|2,0,0]=3 817 B13R1.17 CSCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000751147 [0,1,0,0,0,0|2,0,0]=3 818 B13R1.17 CSCCC(=O)c1ccc(cc1)O 62a_200000210301_100009879949 [0,1,0,0,0,0|2,0,0]=3 819 B13R1.17 CSCOC(C)c1ccc(cc1)Br 34a_100000745893_100011218213 [0,1,0,0,0,0|2,0,1]=4 820 B13R1.17 CSCOC(C)c1ccc(cc1)F 34a_100000181323_100011218213 [0,1,0,0,0,0|2,0,1]=4 821 B13R1.17 CSCOC(C)c1ccc(cc1)N 34a_100011216399_100011218213 [0,1,0,0,0,0|2,0,1]=4 822 B13R1.17 CSCO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100011218213 [0,1,0,0,0,0|2,0,1]=4 823 B13R1.17 CSCO[C@H](C)c1ccc(cc1)C 34a_100000690690_100011218213 [0,1,0,0,0,0|2,0,1]=4 824 B13R1.17 C[C@H](OCCF)c1ccc(cc1)Cl 34a_100011852131_100011217306 [0,1,0,0,0,0|2,0,1]=4 825 B13R1.17 C[C@H](OCCF)c1ccc(cc1)Cl 7a_100011852131_100011217306 [0,1,0,0,0,0|2,0,1]=4 826 B13R1.17 C[C@H](OCCO)c1ccc(cc1)Cl 34a_100011852131_100000211926 [0,1,0,0,0,0|2,0,1]=4 827 B13R1.17 C[C@H](OCCO)c1ccc(cc1)Cl 7a_100011852131_100000211926 [0,1,0,0,0,0|2,0,1]=4 828 B13R1.17 Cc1ccc(cc1)C(=O)CCC#N 1458a_100000188618_100011215226 [0,1,0,0,0,0|2,0,1]=4 829 B13R1.17 Cc1ccc(cc1)C(=O)CCCF 1458a_100000188618_100011934791 [0,1,0,0,0,0|2,0,0]=3 830 B13R1.17 Cc1ccc(cc1)C(=O)CCCO 1458a_100000188618_100011215043 [0,1,0,0,0,0|2,0,0]=3 831 B13R1.17 Cc1ccc(cc1)C(=O)CCS[13CH3] 62a_100000701375_200025704644 [0,1,0,0,0,0|2,0,0]=3 832 B13R1.17 Cc1ccc(cc1)C(=O)CCS[13CH3] 62a_200025704644_100000701375 [0,1,0,0,0,0|2,0,0]=3 833 B13R1.17 Cc1ccc(cc1)C(=O)CSCF 62a_100000211441_100015361967 [0,1,0,0,0,0|3,0,0]=4 834 B13R1.17 Cc1ccc(cc1)C(=O)CSCF 62a_100015361967_100000211441 [0,1,0,0,0,0|3,0,0]=4 835 B13R1.17 Cc1ccc(cc1)C(=O)NCC#N 1626a_100000734998_100000188618 [0,1,0,0,0,0|2,0,1]=4 836 B13R1.17 Cc1ccc(cc1)C(=O)NCC#N 527a_100000734998_100000188618 [0,1,0,0,0,0|2,0,1]=4 837 B13R1.17 Cc1ccc(cc1)C(=O)NCCF 11a_100000724931_100000188618 [0,1,0,0,0,0|2,0,0]=3 838 B13R1.17 Cc1ccc(cc1)C(=O)NCCF 1626a_100000724931_100000188618 [0,1,0,0,0,0|2,0,0]=3 839 B13R1.17 Cc1ccc(cc1)C(=O)NCCF 240690a_100000724931_100000188618 [0,1,0,0,0,0|2,0,0]=3 840 B13R1.17 Cc1ccc(cc1)C(=O)NCCF 527a_100000724931_100000188618 [0,1,0,0,0,0|2,0,0]=3 841 B13R1.17 Cc1ccc(cc1)C(=O)NCCO 240690a_100000210304_100000188618 [0,1,0,0,0,0|2,0,0]=3 842 B13R1.17 Cc1ccc(cc1)C(=O)NCCO 527a_100000210304_100000188618 [0,1,0,0,0,0|2,0,0]=3 843 B13R1.17 Cc1ccc(cc1)C(C)OCCBr 34a_100000211926_100011261388 [0,1,0,0,0,0|2,0,1]=4 844 B13R1.17 Cc1ccc(cc1)C(C)OCCN 34a_100000210304_100011261388 [0,1,0,0,0,0|2,0,1]=4 845 B13R1.17 Cc1ccc(cc1)[C@@H](C)OCCF 34a_100000690690_100011217306 [0,1,0,0,0,0|2,0,1]=4 846 B13R1.17 Cc1ccc(cc1)[C@@H](C)OCCF 7a_100000690690_100011217306 [0,1,0,0,0,0|2,0,1]=4 847 B13R1.17 Cc1ccc(cc1)[C@@H](C)OCCO 34a_100000690690_100000211926 [0,1,0,0,0,0|2,0,1]=4 848 B13R1.17 Cc1ccc(cc1)[C@@H](C)OCCO 7a_100000690690_100000211926 [0,1,0,0,0,0|2,0,1]=4 849 B13R1.17 N#CCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100011215226 [0,1,0,0,0,0|2,0,1]=4 850 B13R1.17 N#CCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100011215226 [0,1,0,0,0,0|2,0,1]=4 851 B13R1.17 N#CCCC(=O)c1ccc(cc1)F 1458a_100000187176_100011215226 [0,1,0,0,0,0|2,0,1]=4 852 B13R1.17 N#CCCC(=O)c1ccc(cc1)I 1458a_100000187904_100011215226 [0,1,0,0,0,0|2,0,1]=4 853 B13R1.17 N#CCCC(=O)c1ccc(cc1)O 1458a_100000212099_100011215226 [0,1,0,0,0,0|2,0,1]=4 854 B13R1.17 N#CCCC(=O)c1ccc(cc1)O 271570a_203496583355_100000689336 [0,1,0,0,0,0|2,0,1]=4 855 B13R1.17 N#CCNC(=O)c1ccc(cc1)Br 1626a_100000734998_100000185839 [0,1,0,0,0,0|2,0,1]=4 856 B13R1.17 N#CCNC(=O)c1ccc(cc1)Br 527a_100000734998_100000185839 [0,1,0,0,0,0|2,0,1]=4 857 B13R1.17 N#CCNC(=O)c1ccc(cc1)Cl 1626a_100000734998_100000210187 [0,1,0,0,0,0|2,0,1]=4 858 B13R1.17 N#CCNC(=O)c1ccc(cc1)Cl 527a_100000734998_100000210187 [0,1,0,0,0,0|2,0,1]=4 859 B13R1.17 N#CCNC(=O)c1ccc(cc1)F 1626a_100000734998_100000187176 [0,1,0,0,0,0|2,0,1]=4 860 B13R1.17 N#CCNC(=O)c1ccc(cc1)F 527a_100000734998_100000187176 [0,1,0,0,0,0|2,0,1]=4 861 B13R1.17 N#CCNC(=O)c1ccc(cc1)I 1626a_100000734998_100000187904 [0,1,0,0,0,0|2,0,1]=4 862 B13R1.17 N#CCNC(=O)c1ccc(cc1)I 527a_100000734998_100000187904 [0,1,0,0,0,0|2,0,1]=4 863 B13R1.17 N#CCNC(=O)c1ccc(cc1)O 271570a_203496583355_100000752546 [0,1,0,0,0,0|2,0,1]=4 864 B13R1.17 N#CCNC(=O)c1ccc(cc1)O 527a_100000734998_100000212099 [0,1,0,0,0,0|2,0,1]=4 865 B13R1.17 O=C(CCCF)c1ccc(cc1)Br 1458a_100000185839_100011934791 [0,1,0,0,0,0|2,0,0]=3 866 B13R1.17 O=C(CCCF)c1ccc(cc1)Cl 1458a_100000210187_100011934791 [0,1,0,0,0,0|2,0,0]=3 867 B13R1.17 O=C(CCCF)c1ccc(cc1)F 1458a_100000187176_100011934791 [0,1,0,0,0,0|2,0,0]=3 868 B13R1.17 O=C(CCCF)c1ccc(cc1)I 1458a_100000187904_100011934791 [0,1,0,0,0,0|2,0,0]=3 869 B13R1.17 O=C(CCCF)c1ccc(cc1)O 1458a_100000212099_100011934791 [0,1,0,0,0,0|2,0,0]=3 870 B13R1.17 O=C(CCCO)c1ccc(cc1)Br 1458a_100000185839_100011215043 [0,1,0,0,0,0|2,0,0]=3 871 B13R1.17 O=C(CCCO)c1ccc(cc1)Cl 1458a_100000210187_100011215043 [0,1,0,0,0,0|2,0,0]=3 872 B13R1.17 O=C(CCCO)c1ccc(cc1)F 1458a_100000187176_100011215043 [0,1,0,0,0,0|2,0,0]=3 873 B13R1.17 O=C(CCCO)c1ccc(cc1)I 1458a_100000187904_100011215043 [0,1,0,0,0,0|2,0,0]=3 874 B13R1.17 O=C(CCCO)c1ccc(cc1)O 1458a_100000212099_100011215043 [0,1,0,0,0,0|2,0,0]=3 875 B13R1.17 O=C(COCF)c1ccc(cc1)F 34a_100000246311_100015361967 [0,1,0,0,0,0|3,0,0]=4 876 B13R1.17 O=C(CSCF)c1ccc(cc1)Br 62a_100000188085_100015361967 [0,1,0,0,0,0|3,0,0]=4 877 B13R1.17 O=C(CSCF)c1ccc(cc1)Cl 62a_100000211071_100015361967 [0,1,0,0,0,0|3,0,0]=4 878 B13R1.17 O=C(CSCF)c1ccc(cc1)Cl 62a_100015361967_100000211071 [0,1,0,0,0,0|3,0,0]=4 879 B13R1.17 O=C(CSCF)c1ccc(cc1)F 62a_100000211279_100015361967 [0,1,0,0,0,0|3,0,0]=4 880 B13R1.17 O=C(CSCF)c1ccc(cc1)F 62a_100015361967_100000211279 [0,1,0,0,0,0|3,0,0]=4 881 B13R1.17 O=C(CSCF)c1ccc(cc1)I 62a_100011216261_100015361967 [0,1,0,0,0,0|3,0,0]=4 882 B13R1.17 O=C(CSCF)c1ccc(cc1)I 62a_100015361967_100011216261 [0,1,0,0,0,0|3,0,0]=4 883 B13R1.17 O=C(CSCF)c1ccc(cc1)O 62a_100009814261_100015361967 [0,1,0,0,0,0|3,0,0]=4 884 B13R1.17 O=C(CSCF)c1ccc(cc1)O 62a_100015361967_100009814261 [0,1,0,0,0,0|3,0,0]=4 885 B13R1.17 O=C(NCCF)c1ccc(cc1)Br 11a_100000724931_100000185839 [0,1,0,0,0,0|2,0,0]=3 886 B13R1.17 O=C(NCCF)c1ccc(cc1)Br 1626a_100000724931_100000185839 [0,1,0,0,0,0|2,0,0]=3 887 B13R1.17 O=C(NCCF)c1ccc(cc1)Br 240690a_100000724931_100000185839 [0,1,0,0,0,0|2,0,0]=3 888 B13R1.17 O=C(NCCF)c1ccc(cc1)Br 527a_100000724931_100000185839 [0,1,0,0,0,0|2,0,0]=3 889 B13R1.17 O=C(NCCF)c1ccc(cc1)Cl 11a_100000724931_100000210187 [0,1,0,0,0,0|2,0,0]=3 890 B13R1.17 O=C(NCCF)c1ccc(cc1)Cl 1626a_100000724931_100000210187 [0,1,0,0,0,0|2,0,0]=3 891 B13R1.17 O=C(NCCF)c1ccc(cc1)Cl 240690a_100000724931_100000210187 [0,1,0,0,0,0|2,0,0]=3 892 B13R1.17 O=C(NCCF)c1ccc(cc1)Cl 527a_100000724931_100000210187 [0,1,0,0,0,0|2,0,0]=3 893 B13R1.17 O=C(NCCF)c1ccc(cc1)F 11a_100000724931_100000187176 [0,1,0,0,0,0|2,0,0]=3 894 B13R1.17 O=C(NCCF)c1ccc(cc1)F 1626a_100000724931_100000187176 [0,1,0,0,0,0|2,0,0]=3 895 B13R1.17 O=C(NCCF)c1ccc(cc1)F 240690a_100000724931_100000187176 [0,1,0,0,0,0|2,0,0]=3 896 B13R1.17 O=C(NCCF)c1ccc(cc1)F 527a_100000724931_100000187176 [0,1,0,0,0,0|2,0,0]=3 897 B13R1.17 O=C(NCCF)c1ccc(cc1)I 11a_100000724931_100000187904 [0,1,0,0,0,0|2,0,0]=3 898 B13R1.17 O=C(NCCF)c1ccc(cc1)I 1626a_100000724931_100000187904 [0,1,0,0,0,0|2,0,0]=3 899 B13R1.17 O=C(NCCF)c1ccc(cc1)I 240690a_100000724931_100000187904 [0,1,0,0,0,0|2,0,0]=3 900 B13R1.17 O=C(NCCF)c1ccc(cc1)I 527a_100000724931_100000187904 [0,1,0,0,0,0|2,0,0]=3 901 B13R1.17 O=C(NCCF)c1ccc(cc1)O 240690a_100000724931_100000212099 [0,1,0,0,0,0|2,0,0]=3 902 B13R1.17 O=C(NCCF)c1ccc(cc1)O 527a_100000724931_100000212099 [0,1,0,0,0,0|2,0,0]=3 903 B13R1.17 O=C(NCCO)c1ccc(cc1)Br 240690a_100000210304_100000185839 [0,1,0,0,0,0|2,0,0]=3 904 B13R1.17 O=C(NCCO)c1ccc(cc1)Br 527a_100000210304_100000185839 [0,1,0,0,0,0|2,0,0]=3 905 B13R1.17 O=C(NCCO)c1ccc(cc1)Cl 240690a_100000210304_100000210187 [0,1,0,0,0,0|2,0,0]=3 906 B13R1.17 O=C(NCCO)c1ccc(cc1)Cl 527a_100000210304_100000210187 [0,1,0,0,0,0|2,0,0]=3 907 B13R1.17 O=C(NCCO)c1ccc(cc1)F 240690a_100000210304_100000187176 [0,1,0,0,0,0|2,0,0]=3 908 B13R1.17 O=C(NCCO)c1ccc(cc1)F 527a_100000210304_100000187176 [0,1,0,0,0,0|2,0,0]=3 909 B13R1.17 O=C(NCCO)c1ccc(cc1)I 240690a_100000210304_100000187904 [0,1,0,0,0,0|2,0,0]=3 910 B13R1.17 O=C(NCCO)c1ccc(cc1)I 527a_100000210304_100000187904 [0,1,0,0,0,0|2,0,0]=3 911 B13R1.17 O=C(NCCO)c1ccc(cc1)O 240690a_100000210304_100000212099 [0,1,0,0,0,0|2,0,0]=3 912 B13R1.17 O=C(NCCO)c1ccc(cc1)O 271570a_203496583355_200000158904 [0,1,0,0,0,0|2,0,0]=3 913 B13R1.17 O=C(NCCO)c1ccc(cc1)O 527a_100000210304_100000212099 [0,1,0,0,0,0|2,0,0]=3 914 B13R1.17 [13CH3]SCCC(=O)c1ccc(cc1)Br 62a_100011215963_200025704644 [0,1,0,0,0,0|2,0,0]=3 915 B13R1.17 [13CH3]SCCC(=O)c1ccc(cc1)Br 62a_200025704644_100011215963 [0,1,0,0,0,0|2,0,0]=3 916 B13R1.17 [13CH3]SCCC(=O)c1ccc(cc1)Cl 62a_100011216492_200025704644 [0,1,0,0,0,0|2,0,0]=3 917 B13R1.17 [13CH3]SCCC(=O)c1ccc(cc1)Cl 62a_200025704644_100011216492 [0,1,0,0,0,0|2,0,0]=3 918 B13R1.17 [13CH3]SCCC(=O)c1ccc(cc1)F 62a_100000211231_200025704644 [0,1,0,0,0,0|2,0,0]=3 919 B13R1.17 [13CH3]SCCC(=O)c1ccc(cc1)F 62a_200025704644_100000211231 [0,1,0,0,0,0|2,0,0]=3 920 B13R1.17 [13CH3]SCCC(=O)c1ccc(cc1)O 62a_200025704644_100009879949 [0,1,0,0,0,0|2,0,0]=3 921 B13R1.17 [2H]C(OCCC)c1ccc(cc1)F 34a_217856618577_100000210303 [0,1,0,0,0,0|1,0,1]=3 922 B13R1.17 [2H]C(OCCC)c1ccc(cc1)F 7a_217856618577_100000210303 [0,1,0,0,0,0|1,0,1]=3 923 B13R1.17 [2H]C(OCCF)c1ccc(cc1)F 34a_217856618577_100011217306 [0,1,0,0,0,0|2,0,1]=4 924 B13R1.17 [2H]C(OCCF)c1ccc(cc1)F 7a_217856618577_100011217306 [0,1,0,0,0,0|2,0,1]=4 925 B13R1.17 [2H]C(OCCO)c1ccc(cc1)F 34a_217856618577_100000211926 [0,1,0,0,0,0|2,0,1]=4 926 B13R1.17 [2H]C(OCCO)c1ccc(cc1)F 7a_217856618577_100000211926 [0,1,0,0,0,0|2,0,1]=4 927 B13R1.17 [2H]C(OCSC)c1ccc(cc1)F 34a_217856618577_100011218213 [0,1,0,0,0,0|2,0,1]=4 928 B13R1.18 C#CCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000753159 [0,1,0,0,0,0|1,0,2]=4 929 B13R1.18 C#CCCC(=O)c1cccc(c1)C 1458a_100000189346_100000753159 [0,1,0,0,0,0|1,0,2]=4 930 B13R1.18 C#CCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000753159 [0,1,0,0,0,0|1,0,2]=4 931 B13R1.18 C#CCCC(=O)c1cccc(c1)F 1458a_100000210950_100000753159 [0,1,0,0,0,0|1,0,2]=4 932 B13R1.18 C#CCCC(=O)c1cccc(c1)I 1458a_100000184098_100000753159 [0,1,0,0,0,0|1,0,2]=4 933 B13R1.18 C#CCCC(=O)c1cccc(c1)O 1458a_100000183914_100000753159 [0,1,0,0,0,0|1,0,2]=4 934 B13R1.18 C#CCNC(=O)c1cccc(c1)Br 11a_100000212058_100000210664 [0,1,0,0,0,0|1,0,2]=4 935 B13R1.18 C#CCNC(=O)c1cccc(c1)Br 1626a_100000212058_100000210664 [0,1,0,0,0,0|1,0,2]=4 936 B13R1.18 C#CCNC(=O)c1cccc(c1)Br 240690a_100000212058_100000210664 [0,1,0,0,0,0|1,0,2]=4 937 B13R1.18 C#CCNC(=O)c1cccc(c1)Br 527a_100000212058_100000210664 [0,1,0,0,0,0|1,0,2]=4 938 B13R1.18 C#CCNC(=O)c1cccc(c1)C 11a_100000212058_100000189346 [0,1,0,0,0,0|1,0,2]=4 939 B13R1.18 C#CCNC(=O)c1cccc(c1)C 1626a_100000212058_100000189346 [0,1,0,0,0,0|1,0,2]=4 940 B13R1.18 C#CCNC(=O)c1cccc(c1)C 240690a_100000212058_100000189346 [0,1,0,0,0,0|1,0,2]=4 941 B13R1.18 C#CCNC(=O)c1cccc(c1)C 527a_100000212058_100000189346 [0,1,0,0,0,0|1,0,2]=4 942 B13R1.18 C#CCNC(=O)c1cccc(c1)Cl 11a_100000212058_100000210390 [0,1,0,0,0,0|1,0,2]=4 943 B13R1.18 C#CCNC(=O)c1cccc(c1)Cl 1626a_100000212058_100000210390 [0,1,0,0,0,0|1,0,2]=4 944 B13R1.18 C#CCNC(=O)c1cccc(c1)Cl 240690a_100000212058_100000210390 [0,1,0,0,0,0|1,0,2]=4 945 B13R1.18 C#CCNC(=O)c1cccc(c1)Cl 527a_100000212058_100000210390 [0,1,0,0,0,0|1,0,2]=4 946 B13R1.18 C#CCNC(=O)c1cccc(c1)F 11a_100000212058_100000210950 [0,1,0,0,0,0|1,0,2]=4 947 B13R1.18 C#CCNC(=O)c1cccc(c1)F 1626a_100000212058_100000210950 [0,1,0,0,0,0|1,0,2]=4 948 B13R1.18 C#CCNC(=O)c1cccc(c1)F 240690a_100000212058_100000210950 [0,1,0,0,0,0|1,0,2]=4 949 B13R1.18 C#CCNC(=O)c1cccc(c1)F 527a_100000212058_100000210950 [0,1,0,0,0,0|1,0,2]=4 950 B13R1.18 C#CCNC(=O)c1cccc(c1)I 11a_100000212058_100000184098 [0,1,0,0,0,0|1,0,2]=4 951 B13R1.18 C#CCNC(=O)c1cccc(c1)I 1626a_100000212058_100000184098 [0,1,0,0,0,0|1,0,2]=4 952 B13R1.18 C#CCNC(=O)c1cccc(c1)I 240690a_100000212058_100000184098 [0,1,0,0,0,0|1,0,2]=4 953 B13R1.18 C#CCNC(=O)c1cccc(c1)I 527a_100000212058_100000184098 [0,1,0,0,0,0|1,0,2]=4 954 B13R1.18 C#CCNC(=O)c1cccc(c1)O 240690a_100000212058_100000183914 [0,1,0,0,0,0|1,0,2]=4 955 B13R1.18 C#CCNC(=O)c1cccc(c1)O 527a_100000212058_100000183914 [0,1,0,0,0,0|1,0,2]=4 956 B13R1.18 C/C=C/CC(=O)c1cccc(c1)Br 1458a_100000210664_100102629194 [0,1,0,0,0,0|1,0,2]=4 957 B13R1.18 C/C=C/CC(=O)c1cccc(c1)C 1458a_100000189346_100102629194 [0,1,0,0,0,0|1,0,2]=4 958 B13R1.18 C/C=C/CC(=O)c1cccc(c1)Cl 1458a_100000210390_100102629194 [0,1,0,0,0,0|1,0,2]=4 959 B13R1.18 C/C=C/CC(=O)c1cccc(c1)F 1458a_100000210950_100102629194 [0,1,0,0,0,0|1,0,2]=4 960 B13R1.18 C/C=C/CC(=O)c1cccc(c1)I 1458a_100000184098_100102629194 [0,1,0,0,0,0|1,0,2]=4 961 B13R1.18 C/C=C/CC(=O)c1cccc(c1)O 1458a_100000183914_100102629194 [0,1,0,0,0,0|1,0,2]=4 962 B13R1.18 C=CCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000754431 [0,1,0,0,0,0|1,0,2]=4 963 B13R1.18 C=CCCC(=O)c1cccc(c1)C 1458a_100000189346_100000754431 [0,1,0,0,0,0|1,0,2]=4 964 B13R1.18 C=CCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000754431 [0,1,0,0,0,0|1,0,2]=4 965 B13R1.18 C=CCCC(=O)c1cccc(c1)F 1458a_100000210950_100000754431 [0,1,0,0,0,0|1,0,2]=4 966 B13R1.18 C=CCCC(=O)c1cccc(c1)I 1458a_100000184098_100000754431 [0,1,0,0,0,0|1,0,2]=4 967 B13R1.18 C=CCCC(=O)c1cccc(c1)O 1458a_100000183914_100000754431 [0,1,0,0,0,0|1,0,2]=4 968 B13R1.18 C=CCNC(=O)c1cccc(c1)Br 1626a_100020586998_100000210664 [0,1,0,0,0,0|1,0,2]=4 969 B13R1.18 C=CCNC(=O)c1cccc(c1)Br 240690a_100020586998_100000210664 [0,1,0,0,0,0|1,0,2]=4 970 B13R1.18 C=CCNC(=O)c1cccc(c1)Br 527a_100020586998_100000210664 [0,1,0,0,0,0|1,0,2]=4 971 B13R1.18 C=CCNC(=O)c1cccc(c1)C 1626a_100020586998_100000189346 [0,1,0,0,0,0|1,0,2]=4 972 B13R1.18 C=CCNC(=O)c1cccc(c1)C 240690a_100020586998_100000189346 [0,1,0,0,0,0|1,0,2]=4 973 B13R1.18 C=CCNC(=O)c1cccc(c1)C 527a_100020586998_100000189346 [0,1,0,0,0,0|1,0,2]=4 974 B13R1.18 C=CCNC(=O)c1cccc(c1)Cl 1626a_100020586998_100000210390 [0,1,0,0,0,0|1,0,2]=4 975 B13R1.18 C=CCNC(=O)c1cccc(c1)Cl 240690a_100020586998_100000210390 [0,1,0,0,0,0|1,0,2]=4 976 B13R1.18 C=CCNC(=O)c1cccc(c1)Cl 527a_100020586998_100000210390 [0,1,0,0,0,0|1,0,2]=4 977 B13R1.18 C=CCNC(=O)c1cccc(c1)F 1626a_100020586998_100000210950 [0,1,0,0,0,0|1,0,2]=4 978 B13R1.18 C=CCNC(=O)c1cccc(c1)F 240690a_100020586998_100000210950 [0,1,0,0,0,0|1,0,2]=4 979 B13R1.18 C=CCNC(=O)c1cccc(c1)F 527a_100020586998_100000210950 [0,1,0,0,0,0|1,0,2]=4 980 B13R1.18 C=CCNC(=O)c1cccc(c1)I 1626a_100020586998_100000184098 [0,1,0,0,0,0|1,0,2]=4 981 B13R1.18 C=CCNC(=O)c1cccc(c1)I 240690a_100020586998_100000184098 [0,1,0,0,0,0|1,0,2]=4 982 B13R1.18 C=CCNC(=O)c1cccc(c1)I 527a_100020586998_100000184098 [0,1,0,0,0,0|1,0,2]=4 983 B13R1.18 C=CCNC(=O)c1cccc(c1)O 240690a_100020586998_100000183914 [0,1,0,0,0,0|1,0,2]=4 984 B13R1.18 C=CCNC(=O)c1cccc(c1)O 527a_100020586998_100000183914 [0,1,0,0,0,0|1,0,2]=4 985 B13R1.18 CC#CCC(=O)c1cccc(c1)Br 1458a_100000210664_100000748600 [0,1,0,0,0,0|1,0,2]=4 986 B13R1.18 CC#CCC(=O)c1cccc(c1)C 1458a_100000189346_100000748600 [0,1,0,0,0,0|1,0,2]=4 987 B13R1.18 CC#CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000748600 [0,1,0,0,0,0|1,0,2]=4 988 B13R1.18 CC#CCC(=O)c1cccc(c1)F 1458a_100000210950_100000748600 [0,1,0,0,0,0|1,0,2]=4 989 B13R1.18 CC#CCC(=O)c1cccc(c1)I 1458a_100000184098_100000748600 [0,1,0,0,0,0|1,0,2]=4 990 B13R1.18 CC#CCC(=O)c1cccc(c1)O 1458a_100000183914_100000748600 [0,1,0,0,0,0|1,0,2]=4 991 B13R1.18 CC(OCCF)c1cccc(c1)Br 34a_100000246457_100011217306 [0,1,0,0,0,0|2,0,1]=4 992 B13R1.18 CC(OCCF)c1cccc(c1)Br 7a_100000246457_100011217306 [0,1,0,0,0,0|2,0,1]=4 993 B13R1.18 CC(OCCF)c1cccc(c1)F 34a_100000744526_100011217306 [0,1,0,0,0,0|2,0,1]=4 994 B13R1.18 CC(OCCF)c1cccc(c1)F 7a_100000744526_100011217306 [0,1,0,0,0,0|2,0,1]=4 995 B13R1.18 CC(OCCF)c1cccc(c1)I 34a_100013085317_100011217306 [0,1,0,0,0,0|2,0,1]=4 996 B13R1.18 CC(OCCF)c1cccc(c1)I 7a_100013085317_100011217306 [0,1,0,0,0,0|2,0,1]=4 997 B13R1.18 CC(OCCF)c1cccc(c1)N 34a_100011217120_100011217306 [0,1,0,0,0,0|2,0,1]=4 998 B13R1.18 CC(OCCF)c1cccc(c1)N 7a_100011217120_100011217306 [0,1,0,0,0,0|2,0,1]=4 999 B13R1.18 CC(OCCO)c1cccc(c1)Br 34a_100000246457_100000211926 [0,1,0,0,0,0|2,0,1]=4 1000 B13R1.18 CC(OCCO)c1cccc(c1)Br 7a_100000246457_100000211926 [0,1,0,0,0,0|2,0,1]=4 1001 B13R1.18 CC(OCCO)c1cccc(c1)F 34a_100000744526_100000211926 [0,1,0,0,0,0|2,0,1]=4 1002 B13R1.18 CC(OCCO)c1cccc(c1)F 7a_100000744526_100000211926 [0,1,0,0,0,0|2,0,1]=4 1003 B13R1.18 CC(OCCO)c1cccc(c1)I 34a_100013085317_100000211926 [0,1,0,0,0,0|2,0,1]=4 1004 B13R1.18 CC(OCCO)c1cccc(c1)I 7a_100013085317_100000211926 [0,1,0,0,0,0|2,0,1]=4 1005 B13R1.18 CC(OCCO)c1cccc(c1)N 34a_100011217120_100000211926 [0,1,0,0,0,0|2,0,1]=4 1006 B13R1.18 CC(OCCO)c1cccc(c1)N 7a_100011217120_100000211926 [0,1,0,0,0,0|2,0,1]=4 1007 B13R1.18 CC=CCC(=O)c1cccc(c1)Br 1458a_100000210664_100000070051 [0,1,0,0,0,0|1,0,2]=4 1008 B13R1.18 CC=CCC(=O)c1cccc(c1)C 1458a_100000189346_100000070051 [0,1,0,0,0,0|1,0,2]=4 1009 B13R1.18 CC=CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000070051 [0,1,0,0,0,0|1,0,2]=4 1010 B13R1.18 CC=CCC(=O)c1cccc(c1)F 1458a_100000210950_100000070051 [0,1,0,0,0,0|1,0,2]=4 1011 B13R1.18 CC=CCC(=O)c1cccc(c1)I 1458a_100000184098_100000070051 [0,1,0,0,0,0|1,0,2]=4 1012 B13R1.18 CC=CCC(=O)c1cccc(c1)O 1458a_100000183914_100000070051 [0,1,0,0,0,0|1,0,2]=4 1013 B13R1.18 CC=NNC(=O)c1cccc(c1)Br 4a_100000189783_200000210099 [0,1,0,0,0,0|2,0,1]=4 1014 B13R1.18 CC=NNC(=O)c1cccc(c1)C 4a_100000189845_200000210099 [0,1,0,0,0,0|2,0,1]=4 1015 B13R1.18 CC=NNC(=O)c1cccc(c1)Cl 4a_100000183659_200000210099 [0,1,0,0,0,0|2,0,1]=4 1016 B13R1.18 CC=NNC(=O)c1cccc(c1)F 4a_100000189798_200000210099 [0,1,0,0,0,0|2,0,1]=4 1017 B13R1.18 CC=NNC(=O)c1cccc(c1)I 4a_100000186306_200000210099 [0,1,0,0,0,0|2,0,1]=4 1018 B13R1.18 CCCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210211 [0,1,0,0,0,0|1,0,0]=2 1019 B13R1.18 CCCCC(=O)c1cccc(c1)C 1458a_100000189346_100000210211 [0,1,0,0,0,0|1,0,0]=2 1020 B13R1.18 CCCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210211 [0,1,0,0,0,0|1,0,0]=2 1021 B13R1.18 CCCCC(=O)c1cccc(c1)F 1458a_100000210950_100000210211 [0,1,0,0,0,0|1,0,0]=2 1022 B13R1.18 CCCCC(=O)c1cccc(c1)I 1458a_100000184098_100000210211 [0,1,0,0,0,0|1,0,0]=2 1023 B13R1.18 CCCCC(=O)c1cccc(c1)O 1458a_100000183914_100000210211 [0,1,0,0,0,0|1,0,0]=2 1024 B13R1.18 CCCCN(C)c1cccc(c1)Br 2230a_100000219648_100000210211 [0,1,0,0,0,0|3,0,0]=4 1025 B13R1.18 CCCCN(C)c1cccc(c1)Br 269982a_100000219648_100000210211 [0,1,0,0,0,0|3,0,0]=4 1026 B13R1.18 CCCCN(C)c1cccc(c1)Br 34a_100000219648_100000210210 [0,1,0,0,0,0|3,0,0]=4 1027 B13R1.18 CCCCN(C)c1cccc(c1)C 2230a_100000219674_100000210211 [0,1,0,0,0,0|3,0,0]=4 1028 B13R1.18 CCCCN(C)c1cccc(c1)C 269982a_100000219674_100000210211 [0,1,0,0,0,0|3,0,0]=4 1029 B13R1.18 CCCCN(C)c1cccc(c1)C 34a_100000219674_100000210210 [0,1,0,0,0,0|3,0,0]=4 1030 B13R1.18 CCCCN(C)c1cccc(c1)Cl 2230a_100000220044_100000210211 [0,1,0,0,0,0|3,0,0]=4 1031 B13R1.18 CCCCN(C)c1cccc(c1)Cl 269982a_100000220044_100000210211 [0,1,0,0,0,0|3,0,0]=4 1032 B13R1.18 CCCCN(C)c1cccc(c1)Cl 34a_100000220044_100000210210 [0,1,0,0,0,0|3,0,0]=4 1033 B13R1.18 CCCCN(C)c1cccc(c1)F 2230a_100020633736_100000210211 [0,1,0,0,0,0|3,0,0]=4 1034 B13R1.18 CCCCN(C)c1cccc(c1)F 269982a_100020633736_100000210211 [0,1,0,0,0,0|3,0,0]=4 1035 B13R1.18 CCCCN(C)c1cccc(c1)F 34a_100020633736_100000210210 [0,1,0,0,0,0|3,0,0]=4 1036 B13R1.18 CCCCN(C)c1cccc(c1)I 2230a_100000221217_100000210211 [0,1,0,0,0,0|3,0,0]=4 1037 B13R1.18 CCCCN(C)c1cccc(c1)I 269982a_100000221217_100000210211 [0,1,0,0,0,0|3,0,0]=4 1038 B13R1.18 CCCCN(C)c1cccc(c1)I 34a_100000221217_100000210210 [0,1,0,0,0,0|3,0,0]=4 1039 B13R1.18 CCCCN(C)c1cccc(c1)O 2230a_100000756613_100000210211 [0,1,0,0,0,0|3,0,0]=4 1040 B13R1.18 CCCCN(C)c1cccc(c1)O 269982a_100000756613_100000210211 [0,1,0,0,0,0|3,0,0]=4 1041 B13R1.18 CCCCN(C)c1cccc(c1)O 34a_100000756613_100000210210 [0,1,0,0,0,0|3,0,0]=4 1042 B13R1.18 CCCCS(=O)c1cccc(c1)O 271570a_203496583355_200010264433 [0,1,0,0,0,0|2,0,0]=3 1043 B13R1.18 CCCNC(=O)c1cccc(c1)Br 11a_100020643023_100000210664 [0,1,0,0,0,0|1,0,0]=2 1044 B13R1.18 CCCNC(=O)c1cccc(c1)Br 1626a_100020643023_100000210664 [0,1,0,0,0,0|1,0,0]=2 1045 B13R1.18 CCCNC(=O)c1cccc(c1)Br 240690a_100020643023_100000210664 [0,1,0,0,0,0|1,0,0]=2 1046 B13R1.18 CCCNC(=O)c1cccc(c1)Br 527a_100020643023_100000210664 [0,1,0,0,0,0|1,0,0]=2 1047 B13R1.18 CCCNC(=O)c1cccc(c1)C 11a_100020643023_100000189346 [0,1,0,0,0,0|1,0,0]=2 1048 B13R1.18 CCCNC(=O)c1cccc(c1)C 1626a_100020643023_100000189346 [0,1,0,0,0,0|1,0,0]=2 1049 B13R1.18 CCCNC(=O)c1cccc(c1)C 240690a_100020643023_100000189346 [0,1,0,0,0,0|1,0,0]=2 1050 B13R1.18 CCCNC(=O)c1cccc(c1)C 527a_100020643023_100000189346 [0,1,0,0,0,0|1,0,0]=2 1051 B13R1.18 CCCNC(=O)c1cccc(c1)Cl 11a_100020643023_100000210390 [0,1,0,0,0,0|1,0,0]=2 1052 B13R1.18 CCCNC(=O)c1cccc(c1)Cl 1626a_100020643023_100000210390 [0,1,0,0,0,0|1,0,0]=2 1053 B13R1.18 CCCNC(=O)c1cccc(c1)Cl 240690a_100020643023_100000210390 [0,1,0,0,0,0|1,0,0]=2 1054 B13R1.18 CCCNC(=O)c1cccc(c1)Cl 527a_100020643023_100000210390 [0,1,0,0,0,0|1,0,0]=2 1055 B13R1.18 CCCNC(=O)c1cccc(c1)F 11a_100020643023_100000210950 [0,1,0,0,0,0|1,0,0]=2 1056 B13R1.18 CCCNC(=O)c1cccc(c1)F 1626a_100020643023_100000210950 [0,1,0,0,0,0|1,0,0]=2 1057 B13R1.18 CCCNC(=O)c1cccc(c1)F 240690a_100020643023_100000210950 [0,1,0,0,0,0|1,0,0]=2 1058 B13R1.18 CCCNC(=O)c1cccc(c1)F 527a_100020643023_100000210950 [0,1,0,0,0,0|1,0,0]=2 1059 B13R1.18 CCCNC(=O)c1cccc(c1)I 11a_100020643023_100000184098 [0,1,0,0,0,0|1,0,0]=2 1060 B13R1.18 CCCNC(=O)c1cccc(c1)I 1626a_100020643023_100000184098 [0,1,0,0,0,0|1,0,0]=2 1061 B13R1.18 CCCNC(=O)c1cccc(c1)I 240690a_100020643023_100000184098 [0,1,0,0,0,0|1,0,0]=2 1062 B13R1.18 CCCNC(=O)c1cccc(c1)I 527a_100020643023_100000184098 [0,1,0,0,0,0|1,0,0]=2 1063 B13R1.18 CCCNC(=O)c1cccc(c1)O 240690a_100020643023_100000183914 [0,1,0,0,0,0|1,0,0]=2 1064 B13R1.18 CCCNC(=O)c1cccc(c1)O 271570a_203496583355_200000152271 [0,1,0,0,0,0|1,0,0]=2 1065 B13R1.18 CCCNC(=O)c1cccc(c1)O 527a_100020643023_100000183914 [0,1,0,0,0,0|1,0,0]=2 1066 B13R1.18 CCCNC(=O)c1cncc(c1)O 271570a_203496583355_200000152275 [0,1,0,0,0,0|2,0,0]=3 1067 B13R1.18 CCCNC(C)c1cccc(c1)Br 2230a_100020642005_100000210303 [0,1,0,0,0,0|2,0,1]=4 1068 B13R1.18 CCCNC(C)c1cccc(c1)Br 269862a_100020643023_100000210093 [0,1,0,0,0,0|2,0,1]=4 1069 B13R1.18 CCCNC(C)c1cccc(c1)C 269862a_100020643023_100000211476 [0,1,0,0,0,0|2,0,1]=4 1070 B13R1.18 CCCNC(C)c1cccc(c1)Cl 2230a_100102723534_100000210303 [0,1,0,0,0,0|2,0,1]=4 1071 B13R1.18 CCCNC(C)c1cccc(c1)Cl 269862a_100020643023_200000210964 [0,1,0,0,0,0|2,0,1]=4 1072 B13R1.18 CCCNC(C)c1cccc(c1)Cl 34a_100102723534_100000210303 [0,1,0,0,0,0|2,0,1]=4 1073 B13R1.18 CCCNC(C)c1cccc(c1)F 269862a_100020643023_100000187083 [0,1,0,0,0,0|2,0,1]=4 1074 B13R1.18 CCCNC(C)c1cccc(c1)I 269862a_100020643023_100011356966 [0,1,0,0,0,0|2,0,1]=4 1075 B13R1.18 CCCNC(C)c1cccc(c1)O 2230a_100000740644_100000210303 [0,1,0,0,0,0|2,0,1]=4 1076 B13R1.18 CCCNC(C)c1cccc(c1)O 269862a_100020643023_100000211620 [0,1,0,0,0,0|2,0,1]=4 1077 B13R1.18 CCCN[C@H](C)c1cccc(c1)C 2230a_100000698126_100000210303 [0,1,0,0,0,0|2,0,1]=4 1078 B13R1.18 CCCN[C@H](C)c1cccc(c1)C 34a_100000698126_100000210303 [0,1,0,0,0,0|2,0,1]=4 1079 B13R1.18 CCCN[C@H](C)c1cccc(c1)F 2230a_100015193778_100000210303 [0,1,0,0,0,0|2,0,1]=4 1080 B13R1.18 CCCN[C@H](C)c1cccc(c1)F 34a_100015193778_100000210303 [0,1,0,0,0,0|2,0,1]=4 1081 B13R1.18 CCCOC(C)c1cc(ccn1)Cl 7a_100000144657_100000210303 [0,1,0,0,0,0|2,0,1]=4 1082 B13R1.18 CCCOC(C)c1cccc(c1)Br 34a_100000246457_100000210303 [0,1,0,0,0,0|1,0,1]=3 1083 B13R1.18 CCCOC(C)c1cccc(c1)Br 7a_100000246457_100000210303 [0,1,0,0,0,0|1,0,1]=3 1084 B13R1.18 CCCOC(C)c1cccc(c1)C 34a_100000757818_100000210303 [0,1,0,0,0,0|1,0,1]=3 1085 B13R1.18 CCCOC(C)c1cccc(c1)C 7a_100000757818_100000210303 [0,1,0,0,0,0|1,0,1]=3 1086 B13R1.18 CCCOC(C)c1cccc(c1)F 34a_100000744526_100000210303 [0,1,0,0,0,0|1,0,1]=3 1087 B13R1.18 CCCOC(C)c1cccc(c1)F 7a_100000744526_100000210303 [0,1,0,0,0,0|1,0,1]=3 1088 B13R1.18 CCCOC(C)c1cccc(c1)I 34a_100013085317_100000210303 [0,1,0,0,0,0|1,0,1]=3 1089 B13R1.18 CCCOC(C)c1cccc(c1)I 7a_100013085317_100000210303 [0,1,0,0,0,0|1,0,1]=3 1090 B13R1.18 CCCOC(C)c1cccc(c1)N 34a_100011217120_100000210303 [0,1,0,0,0,0|1,0,1]=3 1091 B13R1.18 CCCOC(C)c1cccc(c1)N 7a_100011217120_100000210303 [0,1,0,0,0,0|1,0,1]=3 1092 B13R1.18 CCCOC(C)c1cccc(n1)Br 7a_100009820884_100000210303 [0,1,0,0,0,0|2,0,1]=4 1093 B13R1.18 CCCOC(C)c1cccc(n1)C 34a_200011877368_100000210303 [0,1,0,0,0,0|2,0,1]=4 1094 B13R1.18 CCCOC(C)c1cccc(n1)C 7a_200011877368_100000210303 [0,1,0,0,0,0|2,0,1]=4 1095 B13R1.18 CCCOC(C)c1cncc(c1)Br 34a_100012351597_100000210303 [0,1,0,0,0,0|2,0,1]=4 1096 B13R1.18 CCCOC(C)c1cncc(c1)Br 7a_100012351597_100000210303 [0,1,0,0,0,0|2,0,1]=4 1097 B13R1.18 CCCO[C@H](C)c1cccc(c1)Cl 34a_100000747380_100000210303 [0,1,0,0,0,0|1,0,1]=3 1098 B13R1.18 CCCO[C@H](C)c1cccc(c1)Cl 7a_100000747380_100000210303 [0,1,0,0,0,0|1,0,1]=3 1099 B13R1.18 CCNCC(=O)c1cccc(c1)Br 2230a_100015525214_100000212080 [0,1,0,0,0,0|2,0,0]=3 1100 B13R1.18 CCNCC(=O)c1cccc(c1)C 2230a_100015525214_100000739480 [0,1,0,0,0,0|2,0,0]=3 1101 B13R1.18 CCNCC(=O)c1cccc(c1)Cl 2230a_100015525214_100000211444 [0,1,0,0,0,0|2,0,0]=3 1102 B13R1.18 CCNCC(=O)c1cccc(c1)F 2230a_100015525214_100000215616 [0,1,0,0,0,0|2,0,0]=3 1103 B13R1.18 CCNN=C(C)c1cccc(c1)Br 4a_100000756455_100000210093 [0,1,0,0,0,0|3,0,0]=4 1104 B13R1.18 CCNN=C(C)c1cccc(c1)C 4a_100000756455_100000211476 [0,1,0,0,0,0|3,0,0]=4 1105 B13R1.18 CCNN=C(C)c1cccc(c1)Cl 4a_100000756455_200000210964 [0,1,0,0,0,0|3,0,0]=4 1106 B13R1.18 CCNN=C(C)c1cccc(c1)F 4a_100000756455_100000187083 [0,1,0,0,0,0|3,0,0]=4 1107 B13R1.18 CCNN=C(C)c1cccc(c1)I 4a_100000756455_100011356966 [0,1,0,0,0,0|3,0,0]=4 1108 B13R1.18 CCNN=C(C)c1cccc(c1)O 4a_100000756455_100000211620 [0,1,0,0,0,0|3,0,0]=4 1109 B13R1.18 CCNNC(=O)c1cccc(c1)Br 22a_100000756455_100000210664 [0,1,0,0,0,0|2,0,0]=3 1110 B13R1.18 CCNNC(=O)c1cccc(c1)C 22a_100000756455_100000189346 [0,1,0,0,0,0|2,0,0]=3 1111 B13R1.18 CCNNC(=O)c1cccc(c1)Cl 22a_100000756455_100000210390 [0,1,0,0,0,0|2,0,0]=3 1112 B13R1.18 CCNNC(=O)c1cccc(c1)F 22a_100000756455_100000210950 [0,1,0,0,0,0|2,0,0]=3 1113 B13R1.18 CCNNC(=O)c1cccc(c1)I 22a_100000756455_100000184098 [0,1,0,0,0,0|2,0,0]=3 1114 B13R1.18 CCNNC(=O)c1cccc(c1)O 22a_100000756455_100000183914 [0,1,0,0,0,0|2,0,0]=3 1115 B13R1.18 CCOCC(=O)c1cccc(c1)Br 34a_100121572206_100000212080 [0,1,0,0,0,0|2,0,0]=3 1116 B13R1.18 CCOCC(=O)c1cccc(c1)C 34a_100121572206_100000739480 [0,1,0,0,0,0|2,0,0]=3 1117 B13R1.18 CCOCC(=O)c1cccc(c1)Cl 34a_100121572206_100000211444 [0,1,0,0,0,0|2,0,0]=3 1118 B13R1.18 CCOCC(=O)c1cccc(c1)Cl 7a_200011592804_100000210202 [0,1,0,0,0,0|2,0,0]=3 1119 B13R1.18 CCOCC(=O)c1cccc(c1)F 34a_100011592800_100000210202 [0,1,0,0,0,0|2,0,0]=3 1120 B13R1.18 CCOCC(=O)c1cccc(c1)F 34a_100121572206_100000215616 [0,1,0,0,0,0|2,0,0]=3 1121 B13R1.18 CCOCC(=O)c1cccc(c1)F 7a_100011592800_100000210202 [0,1,0,0,0,0|2,0,0]=3 1122 B13R1.18 CCOCC(=O)c1cccc(c1)O 34a_100121572206_100009813753 [0,1,0,0,0,0|2,0,0]=3 1123 B13R1.18 CCSCC(=O)c1cccc(c1)Br 62a_100000210202_100000212080 [0,1,0,0,0,0|2,0,0]=3 1124 B13R1.18 CCSCC(=O)c1cccc(c1)Br 62a_100000212080_100000210202 [0,1,0,0,0,0|2,0,0]=3 1125 B13R1.18 CCSCC(=O)c1cccc(c1)C 62a_100000210202_100000739480 [0,1,0,0,0,0|2,0,0]=3 1126 B13R1.18 CCSCC(=O)c1cccc(c1)C 62a_100000739480_100000210202 [0,1,0,0,0,0|2,0,0]=3 1127 B13R1.18 CCSCC(=O)c1cccc(c1)Cl 62a_100000210202_100000211444 [0,1,0,0,0,0|2,0,0]=3 1128 B13R1.18 CCSCC(=O)c1cccc(c1)Cl 62a_100000211444_100000210202 [0,1,0,0,0,0|2,0,0]=3 1129 B13R1.18 CCSCC(=O)c1cccc(c1)F 62a_100000210202_100000215616 [0,1,0,0,0,0|2,0,0]=3 1130 B13R1.18 CCSCC(=O)c1cccc(c1)F 62a_100000215616_100000210202 [0,1,0,0,0,0|2,0,0]=3 1131 B13R1.18 CCSCC(=O)c1cccc(c1)O 62a_100000210202_100009813753 [0,1,0,0,0,0|2,0,0]=3 1132 B13R1.18 CCSCC(=O)c1cccc(c1)O 62a_100009813753_100000210202 [0,1,0,0,0,0|2,0,0]=3 1133 B13R1.18 CCSCC(=O)c1ccnc(c1)Cl 62a_100000210202_100009817076 [0,1,0,0,0,0|3,0,0]=4 1134 B13R1.18 CCSCC(=O)c1ccnc(c1)Cl 62a_100009817076_100000210202 [0,1,0,0,0,0|3,0,0]=4 1135 B13R1.18 COCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000233755 [0,1,0,0,0,0|2,0,0]=3 1136 B13R1.18 COCCC(=O)c1cccc(c1)C 1458a_100000189346_100000233755 [0,1,0,0,0,0|2,0,0]=3 1137 B13R1.18 COCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000233755 [0,1,0,0,0,0|2,0,0]=3 1138 B13R1.18 COCCC(=O)c1cccc(c1)F 1458a_100000210950_100000233755 [0,1,0,0,0,0|2,0,0]=3 1139 B13R1.18 COCCC(=O)c1cccc(c1)I 1458a_100000184098_100000233755 [0,1,0,0,0,0|2,0,0]=3 1140 B13R1.18 COCCC(=O)c1cccc(c1)O 1458a_100000183914_100000233755 [0,1,0,0,0,0|2,0,0]=3 1141 B13R1.18 CSCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000751147 [0,1,0,0,0,0|2,0,0]=3 1142 B13R1.18 CSCCC(=O)c1cccc(c1)C 1458a_100000189346_100000751147 [0,1,0,0,0,0|2,0,0]=3 1143 B13R1.18 CSCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000751147 [0,1,0,0,0,0|2,0,0]=3 1144 B13R1.18 CSCCC(=O)c1cccc(c1)F 1458a_100000210950_100000751147 [0,1,0,0,0,0|2,0,0]=3 1145 B13R1.18 CSCCC(=O)c1cccc(c1)I 1458a_100000184098_100000751147 [0,1,0,0,0,0|2,0,0]=3 1146 B13R1.18 CSCCC(=O)c1cccc(c1)O 1458a_100000183914_100000751147 [0,1,0,0,0,0|2,0,0]=3 1147 B13R1.18 CSCOC(C)c1cccc(c1)Br 34a_100000246457_100011218213 [0,1,0,0,0,0|2,0,1]=4 1148 B13R1.18 CSCOC(C)c1cccc(c1)C 34a_100000757818_100011218213 [0,1,0,0,0,0|2,0,1]=4 1149 B13R1.18 CSCOC(C)c1cccc(c1)F 34a_100000744526_100011218213 [0,1,0,0,0,0|2,0,1]=4 1150 B13R1.18 CSCOC(C)c1cccc(c1)I 34a_100013085317_100011218213 [0,1,0,0,0,0|2,0,1]=4 1151 B13R1.18 CSCOC(C)c1cccc(c1)N 34a_100011217120_100011218213 [0,1,0,0,0,0|2,0,1]=4 1152 B13R1.18 CSCO[C@H](C)c1cccc(c1)Cl 34a_100000747380_100011218213 [0,1,0,0,0,0|2,0,1]=4 1153 B13R1.18 C[C@@H](OCCF)c1cccc(c1)Cl 34a_100000747380_100011217306 [0,1,0,0,0,0|2,0,1]=4 1154 B13R1.18 C[C@@H](OCCF)c1cccc(c1)Cl 7a_100000747380_100011217306 [0,1,0,0,0,0|2,0,1]=4 1155 B13R1.18 C[C@@H](OCCO)c1cccc(c1)Cl 34a_100000747380_100000211926 [0,1,0,0,0,0|2,0,1]=4 1156 B13R1.18 C[C@@H](OCCO)c1cccc(c1)Cl 7a_100000747380_100000211926 [0,1,0,0,0,0|2,0,1]=4 1157 B13R1.18 Cc1cccc(c1)C(=O)CCC#N 1458a_100000189346_100011215226 [0,1,0,0,0,0|2,0,1]=4 1158 B13R1.18 Cc1cccc(c1)C(=O)CCCF 1458a_100000189346_100011934791 [0,1,0,0,0,0|2,0,0]=3 1159 B13R1.18 Cc1cccc(c1)C(=O)CCCO 1458a_100000189346_100011215043 [0,1,0,0,0,0|2,0,0]=3 1160 B13R1.18 Cc1cccc(c1)C(=O)CSCF 62a_100000739480_100015361967 [0,1,0,0,0,0|3,0,0]=4 1161 B13R1.18 Cc1cccc(c1)C(=O)CSCF 62a_100015361967_100000739480 [0,1,0,0,0,0|3,0,0]=4 1162 B13R1.18 Cc1cccc(c1)C(=O)NCC#N 1626a_100000734998_100000189346 [0,1,0,0,0,0|2,0,1]=4 1163 B13R1.18 Cc1cccc(c1)C(=O)NCC#N 527a_100000734998_100000189346 [0,1,0,0,0,0|2,0,1]=4 1164 B13R1.18 Cc1cccc(c1)C(=O)NCCF 11a_100000724931_100000189346 [0,1,0,0,0,0|2,0,0]=3 1165 B13R1.18 Cc1cccc(c1)C(=O)NCCF 1626a_100000724931_100000189346 [0,1,0,0,0,0|2,0,0]=3 1166 B13R1.18 Cc1cccc(c1)C(=O)NCCF 240690a_100000724931_100000189346 [0,1,0,0,0,0|2,0,0]=3 1167 B13R1.18 Cc1cccc(c1)C(=O)NCCF 527a_100000724931_100000189346 [0,1,0,0,0,0|2,0,0]=3 1168 B13R1.18 Cc1cccc(c1)C(=O)NCCO 240690a_100000210304_100000189346 [0,1,0,0,0,0|2,0,0]=3 1169 B13R1.18 Cc1cccc(c1)C(=O)NCCO 527a_100000210304_100000189346 [0,1,0,0,0,0|2,0,0]=3 1170 B13R1.18 Cc1cccc(c1)C(C)OCCF 34a_100000757818_100011217306 [0,1,0,0,0,0|2,0,1]=4 1171 B13R1.18 Cc1cccc(c1)C(C)OCCF 7a_100000757818_100011217306 [0,1,0,0,0,0|2,0,1]=4 1172 B13R1.18 Cc1cccc(c1)C(C)OCCO 34a_100000757818_100000211926 [0,1,0,0,0,0|2,0,1]=4 1173 B13R1.18 Cc1cccc(c1)C(C)OCCO 7a_100000757818_100000211926 [0,1,0,0,0,0|2,0,1]=4 1174 B13R1.18 N#CCCC(=O)c1cccc(c1)Br 1458a_100000210664_100011215226 [0,1,0,0,0,0|2,0,1]=4 1175 B13R1.18 N#CCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100011215226 [0,1,0,0,0,0|2,0,1]=4 1176 B13R1.18 N#CCCC(=O)c1cccc(c1)F 1458a_100000210950_100011215226 [0,1,0,0,0,0|2,0,1]=4 1177 B13R1.18 N#CCCC(=O)c1cccc(c1)I 1458a_100000184098_100011215226 [0,1,0,0,0,0|2,0,1]=4 1178 B13R1.18 N#CCCC(=O)c1cccc(c1)O 1458a_100000183914_100011215226 [0,1,0,0,0,0|2,0,1]=4 1179 B13R1.18 N#CCNC(=O)c1cccc(c1)Br 1626a_100000734998_100000210664 [0,1,0,0,0,0|2,0,1]=4 1180 B13R1.18 N#CCNC(=O)c1cccc(c1)Br 527a_100000734998_100000210664 [0,1,0,0,0,0|2,0,1]=4 1181 B13R1.18 N#CCNC(=O)c1cccc(c1)Cl 1626a_100000734998_100000210390 [0,1,0,0,0,0|2,0,1]=4 1182 B13R1.18 N#CCNC(=O)c1cccc(c1)Cl 527a_100000734998_100000210390 [0,1,0,0,0,0|2,0,1]=4 1183 B13R1.18 N#CCNC(=O)c1cccc(c1)F 1626a_100000734998_100000210950 [0,1,0,0,0,0|2,0,1]=4 1184 B13R1.18 N#CCNC(=O)c1cccc(c1)F 527a_100000734998_100000210950 [0,1,0,0,0,0|2,0,1]=4 1185 B13R1.18 N#CCNC(=O)c1cccc(c1)I 1626a_100000734998_100000184098 [0,1,0,0,0,0|2,0,1]=4 1186 B13R1.18 N#CCNC(=O)c1cccc(c1)I 527a_100000734998_100000184098 [0,1,0,0,0,0|2,0,1]=4 1187 B13R1.18 N#CCNC(=O)c1cccc(c1)O 527a_100000734998_100000183914 [0,1,0,0,0,0|2,0,1]=4 1188 B13R1.18 O=C(CCCF)c1cccc(c1)Br 1458a_100000210664_100011934791 [0,1,0,0,0,0|2,0,0]=3 1189 B13R1.18 O=C(CCCF)c1cccc(c1)Cl 1458a_100000210390_100011934791 [0,1,0,0,0,0|2,0,0]=3 1190 B13R1.18 O=C(CCCF)c1cccc(c1)F 1458a_100000210950_100011934791 [0,1,0,0,0,0|2,0,0]=3 1191 B13R1.18 O=C(CCCF)c1cccc(c1)I 1458a_100000184098_100011934791 [0,1,0,0,0,0|2,0,0]=3 1192 B13R1.18 O=C(CCCF)c1cccc(c1)O 1458a_100000183914_100011934791 [0,1,0,0,0,0|2,0,0]=3 1193 B13R1.18 O=C(CCCO)c1cccc(c1)Br 1458a_100000210664_100011215043 [0,1,0,0,0,0|2,0,0]=3 1194 B13R1.18 O=C(CCCO)c1cccc(c1)Cl 1458a_100000210390_100011215043 [0,1,0,0,0,0|2,0,0]=3 1195 B13R1.18 O=C(CCCO)c1cccc(c1)F 1458a_100000210950_100011215043 [0,1,0,0,0,0|2,0,0]=3 1196 B13R1.18 O=C(CCCO)c1cccc(c1)I 1458a_100000184098_100011215043 [0,1,0,0,0,0|2,0,0]=3 1197 B13R1.18 O=C(CCCO)c1cccc(c1)O 1458a_100000183914_100011215043 [0,1,0,0,0,0|2,0,0]=3 1198 B13R1.18 O=C(COCF)c1cccc(c1)Cl 7a_200011592804_100015361967 [0,1,0,0,0,0|3,0,0]=4 1199 B13R1.18 O=C(COCF)c1cccc(c1)F 34a_100011592800_100015361967 [0,1,0,0,0,0|3,0,0]=4 1200 B13R1.18 O=C(COCF)c1cccc(c1)F 7a_100011592800_100015361967 [0,1,0,0,0,0|3,0,0]=4 1201 B13R1.18 O=C(CSCF)c1cccc(c1)Br 62a_100000212080_100015361967 [0,1,0,0,0,0|3,0,0]=4 1202 B13R1.18 O=C(CSCF)c1cccc(c1)Br 62a_100015361967_100000212080 [0,1,0,0,0,0|3,0,0]=4 1203 B13R1.18 O=C(CSCF)c1cccc(c1)Cl 62a_100000211444_100015361967 [0,1,0,0,0,0|3,0,0]=4 1204 B13R1.18 O=C(CSCF)c1cccc(c1)Cl 62a_100015361967_100000211444 [0,1,0,0,0,0|3,0,0]=4 1205 B13R1.18 O=C(CSCF)c1cccc(c1)F 62a_100000215616_100015361967 [0,1,0,0,0,0|3,0,0]=4 1206 B13R1.18 O=C(CSCF)c1cccc(c1)F 62a_100015361967_100000215616 [0,1,0,0,0,0|3,0,0]=4 1207 B13R1.18 O=C(CSCF)c1cccc(c1)O 62a_100009813753_100015361967 [0,1,0,0,0,0|3,0,0]=4 1208 B13R1.18 O=C(CSCF)c1cccc(c1)O 62a_100015361967_100009813753 [0,1,0,0,0,0|3,0,0]=4 1209 B13R1.18 O=C(NCCF)c1cccc(c1)Br 11a_100000724931_100000210664 [0,1,0,0,0,0|2,0,0]=3 1210 B13R1.18 O=C(NCCF)c1cccc(c1)Br 1626a_100000724931_100000210664 [0,1,0,0,0,0|2,0,0]=3 1211 B13R1.18 O=C(NCCF)c1cccc(c1)Br 240690a_100000724931_100000210664 [0,1,0,0,0,0|2,0,0]=3 1212 B13R1.18 O=C(NCCF)c1cccc(c1)Br 527a_100000724931_100000210664 [0,1,0,0,0,0|2,0,0]=3 1213 B13R1.18 O=C(NCCF)c1cccc(c1)Cl 11a_100000724931_100000210390 [0,1,0,0,0,0|2,0,0]=3 1214 B13R1.18 O=C(NCCF)c1cccc(c1)Cl 1626a_100000724931_100000210390 [0,1,0,0,0,0|2,0,0]=3 1215 B13R1.18 O=C(NCCF)c1cccc(c1)Cl 240690a_100000724931_100000210390 [0,1,0,0,0,0|2,0,0]=3 1216 B13R1.18 O=C(NCCF)c1cccc(c1)Cl 527a_100000724931_100000210390 [0,1,0,0,0,0|2,0,0]=3 1217 B13R1.18 O=C(NCCF)c1cccc(c1)F 11a_100000724931_100000210950 [0,1,0,0,0,0|2,0,0]=3 1218 B13R1.18 O=C(NCCF)c1cccc(c1)F 1626a_100000724931_100000210950 [0,1,0,0,0,0|2,0,0]=3 1219 B13R1.18 O=C(NCCF)c1cccc(c1)F 240690a_100000724931_100000210950 [0,1,0,0,0,0|2,0,0]=3 1220 B13R1.18 O=C(NCCF)c1cccc(c1)F 527a_100000724931_100000210950 [0,1,0,0,0,0|2,0,0]=3 1221 B13R1.18 O=C(NCCF)c1cccc(c1)I 11a_100000724931_100000184098 [0,1,0,0,0,0|2,0,0]=3 1222 B13R1.18 O=C(NCCF)c1cccc(c1)I 1626a_100000724931_100000184098 [0,1,0,0,0,0|2,0,0]=3 1223 B13R1.18 O=C(NCCF)c1cccc(c1)I 240690a_100000724931_100000184098 [0,1,0,0,0,0|2,0,0]=3 1224 B13R1.18 O=C(NCCF)c1cccc(c1)I 527a_100000724931_100000184098 [0,1,0,0,0,0|2,0,0]=3 1225 B13R1.18 O=C(NCCF)c1cccc(c1)O 240690a_100000724931_100000183914 [0,1,0,0,0,0|2,0,0]=3 1226 B13R1.18 O=C(NCCF)c1cccc(c1)O 527a_100000724931_100000183914 [0,1,0,0,0,0|2,0,0]=3 1227 B13R1.18 O=C(NCCO)c1cccc(c1)Br 240690a_100000210304_100000210664 [0,1,0,0,0,0|2,0,0]=3 1228 B13R1.18 O=C(NCCO)c1cccc(c1)Br 527a_100000210304_100000210664 [0,1,0,0,0,0|2,0,0]=3 1229 B13R1.18 O=C(NCCO)c1cccc(c1)Cl 240690a_100000210304_100000210390 [0,1,0,0,0,0|2,0,0]=3 1230 B13R1.18 O=C(NCCO)c1cccc(c1)Cl 527a_100000210304_100000210390 [0,1,0,0,0,0|2,0,0]=3 1231 B13R1.18 O=C(NCCO)c1cccc(c1)F 240690a_100000210304_100000210950 [0,1,0,0,0,0|2,0,0]=3 1232 B13R1.18 O=C(NCCO)c1cccc(c1)F 527a_100000210304_100000210950 [0,1,0,0,0,0|2,0,0]=3 1233 B13R1.18 O=C(NCCO)c1cccc(c1)I 240690a_100000210304_100000184098 [0,1,0,0,0,0|2,0,0]=3 1234 B13R1.18 O=C(NCCO)c1cccc(c1)I 527a_100000210304_100000184098 [0,1,0,0,0,0|2,0,0]=3 1235 B13R1.18 O=C(NCCO)c1cccc(c1)O 240690a_100000210304_100000183914 [0,1,0,0,0,0|2,0,0]=3 1236 B13R1.18 O=C(NCCO)c1cccc(c1)O 271570a_203496583355_200000158903 [0,1,0,0,0,0|2,0,0]=3 1237 B13R1.18 O=C(NCCO)c1cccc(c1)O 527a_100000210304_100000183914 [0,1,0,0,0,0|2,0,0]=3 1238 B13R1.24 C#CCCCC(=O)c1ccccc1 1458a_100000185807_100000731252 [0,1,0,0,0,0|1,0,1]=3 1239 B13R1.24 C#CCCNC(=O)c1ccccc1 11a_100000755551_100000185807 [0,1,0,0,0,0|1,0,1]=3 1240 B13R1.24 C#CCCNC(=O)c1ccccc1 1626a_100000755551_100000185807 [0,1,0,0,0,0|1,0,1]=3 1241 B13R1.24 C#CCCNC(=O)c1ccccc1 240690a_100000755551_100000185807 [0,1,0,0,0,0|1,0,1]=3 1242 B13R1.24 C#CCCNC(=O)c1ccccc1 527a_100000755551_100000185807 [0,1,0,0,0,0|1,0,1]=3 1243 B13R1.24 C#CCCOC(C)c1ccccc1 34a_100011215631_100000211855 [0,1,0,0,0,0|1,0,2]=4 1244 B13R1.24 C#CCCO[C@H](C)c1ccccc1 34a_100000761318_100000688953 [0,1,0,0,0,0|1,0,2]=4 1245 B13R1.24 C#CCCO[C@H](C)c1ccccc1 7a_100000761318_100000688953 [0,1,0,0,0,0|1,0,2]=4 1246 B13R1.24 C#CCOCC(=O)c1ccccn1 34a_100000210247_100000027445 [0,1,0,0,0,0|1,0,2]=4 1247 B13R1.24 C#CCSCC(=O)c1ccccc1 62a_100000038162_100000211460 [0,1,0,0,0,0|0,1,2]=4 1248 B13R1.24 C/C=C/COC(C)c1ccccc1 34a_100016270725_100000211855 [0,1,0,0,0,0|1,0,2]=4 1249 B13R1.24 C/C=C/CO[C@H](C)c1ccccc1 34a_100000761318_100102629194 [0,1,0,0,0,0|1,0,2]=4 1250 B13R1.24 C/C=C/CO[C@H](C)c1ccccc1 7a_100000761318_100102629194 [0,1,0,0,0,0|1,0,2]=4 1251 B13R1.24 C=CCCCC(=O)c1ccccc1 1458a_100000185807_100000757094 [0,1,0,0,0,0|1,0,1]=3 1252 B13R1.24 C=CCCNC(=O)c1ccccc1 11a_100015191253_100000185807 [0,1,0,0,0,0|1,0,1]=3 1253 B13R1.24 C=CCCNC(=O)c1ccccc1 1626a_100015191253_100000185807 [0,1,0,0,0,0|1,0,1]=3 1254 B13R1.24 C=CCCNC(=O)c1ccccc1 240690a_100015191253_100000185807 [0,1,0,0,0,0|1,0,1]=3 1255 B13R1.24 C=CCCNC(=O)c1ccccc1 527a_100015191253_100000185807 [0,1,0,0,0,0|1,0,1]=3 1256 B13R1.24 C=CCCOC(C)c1ccccc1 34a_100011205117_100000211855 [0,1,0,0,0,0|1,0,2]=4 1257 B13R1.24 C=CCCO[C@H](C)c1ccccc1 34a_100000761318_100000754431 [0,1,0,0,0,0|1,0,2]=4 1258 B13R1.24 C=CCCO[C@H](C)c1ccccc1 7a_100000761318_100000754431 [0,1,0,0,0,0|1,0,2]=4 1259 B13R1.24 C=CCNNC(=O)c1ccccc1 22a_100020588587_100000185807 [0,1,0,0,0,0|1,0,2]=4 1260 B13R1.24 C=CCOCC(=O)c1ccccn1 34a_200000210373_100000027445 [0,1,0,0,0,0|1,0,2]=4 1261 B13R1.24 C=CCSCC(=O)c1ccccc1 62a_100000210623_100000211460 [0,1,0,0,0,0|0,1,2]=4 1262 B13R1.24 C=CCSCC(=O)c1ccccc1 62a_100000211460_100000210623 [0,1,0,0,0,0|0,1,2]=4 1263 B13R1.24 C=COCCC(=O)c1ccccc1 1458a_100000185807_100000039644 [0,1,0,0,0,0|1,0,2]=4 1264 B13R1.24 CC#CCNC(=O)c1ccccc1 11a_100000685387_100000185807 [0,1,0,0,0,0|1,0,1]=3 1265 B13R1.24 CC#CCNC(=O)c1ccccc1 1626a_100000685387_100000185807 [0,1,0,0,0,0|1,0,1]=3 1266 B13R1.24 CC#CCNC(=O)c1ccccc1 527a_100000685387_100000185807 [0,1,0,0,0,0|1,0,1]=3 1267 B13R1.24 CC#CCOC(C)c1ccccc1 34a_100000761923_100000211855 [0,1,0,0,0,0|1,0,2]=4 1268 B13R1.24 CC#CCO[C@H](C)c1ccccc1 34a_100000761318_100000748600 [0,1,0,0,0,0|1,0,2]=4 1269 B13R1.24 CC#CCO[C@H](C)c1ccccc1 7a_100000761318_100000748600 [0,1,0,0,0,0|1,0,2]=4 1270 B13R1.24 CC(=NNCCO)c1ccccc1 4a_100000210001_100000185851 [0,1,0,0,0,0|3,0,0]=4 1271 B13R1.24 CC(COCCBr)c1ccccc1 34a_100000211926_100000756946 [0,1,0,0,0,0|2,0,1]=4 1272 B13R1.24 CC(COCCF)c1ccccc1 34a_100011215166_100011217306 [0,1,0,0,0,0|2,0,1]=4 1273 B13R1.24 CC(COCCF)c1ccccc1 7a_100011215166_100011217306 [0,1,0,0,0,0|2,0,1]=4 1274 B13R1.24 CC(COCCN)c1ccccc1 34a_100000210304_100000756946 [0,1,0,0,0,0|2,0,1]=4 1275 B13R1.24 CC(COCCO)c1ccccc1 34a_100011215166_100000211926 [0,1,0,0,0,0|2,0,1]=4 1276 B13R1.24 CC(COCCO)c1ccccc1 7a_100011215166_100000211926 [0,1,0,0,0,0|2,0,1]=4 1277 B13R1.24 CC(NCCCF)c1ccccc1 2230a_100015189416_100000230085 [0,1,0,0,0,0|2,0,1]=4 1278 B13R1.24 CC(NCCCF)c1ccccc1 269862a_100015189416_100000185851 [0,1,0,0,0,0|2,0,1]=4 1279 B13R1.24 CC(NCCCF)c1ccccc1 34a_100015189416_100000211855 [0,1,0,0,0,0|2,0,1]=4 1280 B13R1.24 CC(NCCCO)c1ccccc1 269862a_100000182051_100000185851 [0,1,0,0,0,0|2,0,1]=4 1281 B13R1.24 CC(OCCCBr)c1ccccc1 34a_100011217188_100000211855 [0,1,0,0,0,0|1,0,1]=3 1282 B13R1.24 CC(OCCCCl)c1ccccc1 34a_100000230001_100000211855 [0,1,0,0,0,0|1,0,1]=3 1283 B13R1.24 CC(OCCCF)c1ccccc1 34a_100000759539_100000211855 [0,1,0,0,0,0|1,0,1]=3 1284 B13R1.24 CC(OCCCN)c1ccccc1 34a_100000182051_100000211855 [0,1,0,0,0,0|1,0,1]=3 1285 B13R1.24 CC(OCCON)c1ccccc1 34a_100000700252_100000211855 [0,1,0,0,0,0|2,0,1]=4 1286 B13R1.24 CC(SCCCF)c1ccccc1 62a_100000230085_100011934791 [0,1,0,0,0,0|1,1,1]=4 1287 B13R1.24 CC(SCCCF)c1ccccc1 62a_100011934791_100000230085 [0,1,0,0,0,0|1,1,1]=4 1288 B13R1.24 CC(SCCCO)c1ccccc1 62a_100000230085_100011215043 [0,1,0,0,0,0|1,1,1]=4 1289 B13R1.24 CC(SCCCO)c1ccccc1 62a_100011215043_100000230085 [0,1,0,0,0,0|1,1,1]=4 1290 B13R1.24 CC/C=C\CC(=O)c1ccccc1 1458a_100000185807_100103147603 [0,1,0,0,0,0|1,0,1]=3 1291 B13R1.24 CC=CCO[C@H](C)c1ccccc1 34a_100000761318_100000070051 [0,1,0,0,0,0|1,0,2]=4 1292 B13R1.24 CC=CCO[C@H](C)c1ccccc1 7a_100000761318_100000070051 [0,1,0,0,0,0|1,0,2]=4 1293 B13R1.24 CCC#CCC(=O)c1ccccc1 1458a_100000185807_100009813939 [0,1,0,0,0,0|1,0,1]=3 1294 B13R1.24 CCC=NNC(=O)c1ccccc1 4a_100000184135_100000210100 [0,1,0,0,0,0|1,0,1]=3 1295 B13R1.24 CCC=NNC(=O)c1ccccn1 4a_100000184044_100000210100 [0,1,0,0,0,0|2,0,1]=4 1296 B13R1.24 CCC=NNC(=O)c1cccnc1 4a_100000189771_100000210100 [0,1,0,0,0,0|2,0,1]=4 1297 B13R1.24 CCC=NNC(=O)c1ccncc1 4a_100000189768_100000210100 [0,1,0,0,0,0|2,0,1]=4 1298 B13R1.24 CCCCCC(=O)c1ccccc1 1458a_100000185807_100000210326 [0,1,0,0,0,0|1,0,0]=2 1299 B13R1.24 CCCCCN(C)c1ccccc1 2230a_100000210012_100000210326 [0,1,0,0,0,0|3,0,0]=4 1300 B13R1.24 CCCCCN(C)c1ccccc1 2230a_200000219563_200000210301 [0,1,0,0,0,0|3,0,0]=4 1301 B13R1.24 CCCCCN(C)c1ccccc1 269982a_100000210012_100000210215 [0,1,0,0,0,0|3,0,0]=4 1302 B13R1.24 CCCCCN(C)c1ccccc1 269982a_200000219563_200000210301 [0,1,0,0,0,0|3,0,0]=4 1303 B13R1.24 CCCCCN(C)c1ccccc1 34a_100000210012_100000718602 [0,1,0,0,0,0|3,0,0]=4 1304 B13R1.24 CCCCCN(C)c1ccccc1 34a_200000219563_200000210301 [0,1,0,0,0,0|3,0,0]=4 1305 B13R1.24 CCCCCN(C)c1ccccc1 7a_200000219563_200000210301 [0,1,0,0,0,0|3,0,0]=4 1306 B13R1.24 CCCCCN([13CH3])c1ccccc1 2230a_200000219563_200025704644 [0,1,0,0,0,0|3,0,0]=4 1307 B13R1.24 CCCCCN([13CH3])c1ccccc1 269982a_200000219563_200025704644 [0,1,0,0,0,0|3,0,0]=4 1308 B13R1.24 CCCCCN([13CH3])c1ccccc1 34a_200000219563_200025704644 [0,1,0,0,0,0|3,0,0]=4 1309 B13R1.24 CCCCCN([13CH3])c1ccccc1 7a_200000219563_200025704644 [0,1,0,0,0,0|3,0,0]=4 1310 B13R1.24 CCCCNC(=O)c1ccccc1 11a_100000102301_100000185807 [0,1,0,0,0,0|1,0,0]=2 1311 B13R1.24 CCCCNC(=O)c1ccccc1 1626a_100000102301_100000185807 [0,1,0,0,0,0|1,0,0]=2 1312 B13R1.24 CCCCNC(=O)c1ccccc1 240690a_100000102301_100000185807 [0,1,0,0,0,0|1,0,0]=2 1313 B13R1.24 CCCCNC(=O)c1ccccc1 527a_100000102301_100000185807 [0,1,0,0,0,0|1,0,0]=2 1314 B13R1.24 CCCCNC(C)c1ccccc1 2230a_100000102301_100000230085 [0,1,0,0,0,0|2,0,1]=4 1315 B13R1.24 CCCCNC(C)c1ccccc1 269862a_100000102301_100000185851 [0,1,0,0,0,0|2,0,1]=4 1316 B13R1.24 CCCCNC(C)c1ccccc1 7a_106832991798_100000230085 [0,1,0,0,0,0|2,0,1]=4 1317 B13R1.24 CCCCN[C@H](C)c1ccccc1 2230a_100000751104_100000210211 [0,1,0,0,0,0|2,0,1]=4 1318 B13R1.24 CCCCOC(C)c1ccccc1 34a_100000210227_100000211855 [0,1,0,0,0,0|1,0,1]=3 1319 B13R1.24 CCCCOC(C)c1ccccc1 7a_100000210227_100000230085 [0,1,0,0,0,0|1,0,1]=3 1320 B13R1.24 CCCCO[C@H](C)c1ccccc1 34a_100000761318_100000210210 [0,1,0,0,0,0|1,0,1]=3 1321 B13R1.24 CCCCO[C@H](C)c1ccccc1 7a_100000761318_100000210211 [0,1,0,0,0,0|1,0,1]=3 1322 B13R1.24 CCCCSC(C)c1ccccc1 62a_100000210211_100000230085 [0,1,0,0,0,0|1,1,1]=4 1323 B13R1.24 CCCCSC(C)c1ccccc1 62a_100000230085_100000210210 [0,1,0,0,0,0|1,1,1]=4 1324 B13R1.24 CCCNCC(C)c1ccccc1 2230a_100000701038_100000210303 [0,1,0,0,0,0|2,0,1]=4 1325 B13R1.24 CCCNCC(C)c1ccccc1 270004a_100020643023_100000212034 [0,1,0,0,0,0|2,0,1]=4 1326 B13R1.24 CCCNCC(C)c1ccccc1 34a_100000701038_100000210303 [0,1,0,0,0,0|2,0,1]=4 1327 B13R1.24 CCCNCC(O)c1ccccc1 2230a_100000210709_100000210303 [0,1,0,0,0,0|1,0,2]=4 1328 B13R1.24 CCCNN=C(C)c1ccccc1 4a_100000740057_100000185851 [0,1,0,0,0,0|2,0,0]=3 1329 B13R1.24 CCCNN=C(C)c1ccccn1 4a_100000740057_100000210467 [0,1,0,0,0,0|3,0,0]=4 1330 B13R1.24 CCCNN=C(C)c1cccnc1 4a_100000740057_100000210468 [0,1,0,0,0,0|3,0,0]=4 1331 B13R1.24 CCCNN=C(C)c1ccncc1 4a_100000740057_100000185792 [0,1,0,0,0,0|3,0,0]=4 1332 B13R1.24 CCCNNC(=O)c1ccccc1 22a_100000740057_100000185807 [0,1,0,0,0,0|1,0,0]=2 1333 B13R1.24 CCCOCC(=O)c1ccccn1 34a_100000210258_100000027445 [0,1,0,0,0,0|1,0,0]=2 1334 B13R1.24 CCCOCC(C)c1ccccc1 34a_100000210258_100000756946 [0,1,0,0,0,0|1,0,1]=3 1335 B13R1.24 CCCOCC(C)c1ccccc1 34a_100011215166_100000210303 [0,1,0,0,0,0|1,0,1]=3 1336 B13R1.24 CCCOCC(C)c1ccccc1 7a_100011215166_100000210303 [0,1,0,0,0,0|1,0,1]=3 1337 B13R1.24 CCCOCC(O)c1ccccc1 34a_100000210258_100000185958 [0,1,0,0,0,0|0,0,2]=3 1338 B13R1.24 CCCOC[C@@H](N)c1ccccc1 34a_100000751927_100000210303 [0,1,0,0,0,0|1,0,1]=3 1339 B13R1.24 CCCOC[C@@H](N)c1ccncc1 34a_100138412524_100000210303 [0,1,0,0,0,0|2,0,1]=4 1340 B13R1.24 CCCOC[C@@H](O)c1ccccc1 34a_100000210258_100011933945 [0,1,0,0,0,0|0,0,2]=3 1341 B13R1.24 CCCSCC(=O)c1ccccc1 62a_100000210303_100000211460 [0,1,0,0,0,0|0,1,0]=2 1342 B13R1.24 CCCSCC(=O)c1ccccc1 62a_100000211460_100000210303 [0,1,0,0,0,0|0,1,0]=2 1343 B13R1.24 CCCSCC(=O)c1ccccn1 62a_100000027445_100000210303 [0,1,0,0,0,0|1,1,0]=3 1344 B13R1.24 CCCSCC(=O)c1ccccn1 62a_100000210303_100000027445 [0,1,0,0,0,0|1,1,0]=3 1345 B13R1.24 CCCSCC(=O)c1cccnc1 62a_100000210303_100000757877 [0,1,0,0,0,0|1,1,0]=3 1346 B13R1.24 CCCSCC(=O)c1cccnc1 62a_100000757877_100000210303 [0,1,0,0,0,0|1,1,0]=3 1347 B13R1.24 CCCSCC(=O)c1ccncc1 62a_100000027454_100000210303 [0,1,0,0,0,0|1,1,0]=3 1348 B13R1.24 CCCSCC(=O)c1ccncc1 62a_100000210303_100000027454 [0,1,0,0,0,0|1,1,0]=3 1349 B13R1.24 CCCSCC(=O)c1ncccn1 62a_100000210303_100020636365 [0,1,0,0,0,0|2,1,0]=4 1350 B13R1.24 CCCSCC(=O)c1ncccn1 62a_100020636365_100000210303 [0,1,0,0,0,0|2,1,0]=4 1351 B13R1.24 CCCSCC(C)c1ccccc1 62a_100000210303_100000756946 [0,1,0,0,0,0|1,1,1]=4 1352 B13R1.24 CCCSCC(C)c1ccccc1 62a_100000756946_100000210303 [0,1,0,0,0,0|1,1,1]=4 1353 B13R1.24 CCCSCC(O)c1ccccc1 62a_100000185958_100000210303 [0,1,0,0,0,0|0,1,2]=4 1354 B13R1.24 CCCSCC(O)c1ccccc1 62a_100000210303_100000185958 [0,1,0,0,0,0|0,1,2]=4 1355 B13R1.24 CCCSCS(=O)c1ccccc1 62a_100000210303_100000031784 [0,1,0,0,0,0|1,1,0]=3 1356 B13R1.24 CCCSC[C@@H](O)c1ccccc1 62a_100000210303_100011933945 [0,1,0,0,0,0|0,1,2]=4 1357 B13R1.24 CCCSC[C@@H](O)c1ccccc1 62a_100011933945_100000210303 [0,1,0,0,0,0|0,1,2]=4 1358 B13R1.24 CCNCCC(=O)c1ccccc1 2230a_100015525214_100000750707 [0,1,0,0,0,0|1,0,0]=2 1359 B13R1.24 CCNCCC(C)c1ccccc1 270004a_100015525214_100000189432 [0,1,0,0,0,0|2,0,1]=4 1360 B13R1.24 CCNCCC(O)c1ccccc1 2230a_100000763605_100000210202 [0,1,0,0,0,0|1,0,2]=4 1361 B13R1.24 CCNCCS(=O)c1ccccc1 2230a_100015525214_100000740319 [0,1,0,0,0,0|2,0,0]=3 1362 B13R1.24 CCNCC[C@@H](O)c1ccccc1 2230a_100015525214_100000729684 [0,1,0,0,0,0|1,0,2]=4 1363 B13R1.24 CCOCCC(=O)c1ccccc1 1458a_100000185807_100011215890 [0,1,0,0,0,0|1,0,0]=2 1364 B13R1.24 CCOCCN(C)c1ccccc1 2230a_100000210012_100011215890 [0,1,0,0,0,0|3,0,0]=4 1365 B13R1.24 CCOCCN(C)c1ccccc1 269982a_100000210012_100011215890 [0,1,0,0,0,0|3,0,0]=4 1366 B13R1.24 CCOCCN(C)c1ccccc1 34a_100000210012_100000210147 [0,1,0,0,0,0|3,0,0]=4 1367 B13R1.24 CCOCC[C@@H](O)c1ccccc1 34a_100121572206_100000729684 [0,1,0,0,0,0|1,0,2]=4 1368 B13R1.24 CCOCC[C@H](N)c1ccccc1 34a_100025705951_100000210202 [0,1,0,0,0,0|2,0,1]=4 1369 B13R1.24 CCOCSC(C)c1ccccc1 62a_100000230085_100000739092 [0,1,0,0,0,0|1,1,1]=4 1370 B13R1.24 CCOCSC(C)c1ccccc1 62a_100000739092_100000230085 [0,1,0,0,0,0|1,1,1]=4 1371 B13R1.24 CCSCCC(=O)c1ccccc1 1458a_100000185807_100000757381 [0,1,0,0,0,0|1,0,0]=2 1372 B13R1.24 CCSCCC(=O)c1ccccc1 62a_100000210202_100000750707 [0,1,0,0,0,0|1,0,0]=2 1373 B13R1.24 CCSCCC(=O)c1ccccc1 62a_100000750707_100000210202 [0,1,0,0,0,0|1,0,0]=2 1374 B13R1.24 CCSCCN(C)c1ccccc1 2230a_100000210012_100000757381 [0,1,0,0,0,0|3,0,0]=4 1375 B13R1.24 CCSCCN(C)c1ccccc1 269982a_100000210012_100000757381 [0,1,0,0,0,0|3,0,0]=4 1376 B13R1.24 CCSCCN(C)c1ccccc1 34a_100000210012_100000757381 [0,1,0,0,0,0|3,0,0]=4 1377 B13R1.24 CCSCCS(=O)c1ccccc1 62a_100000210202_100000740319 [0,1,0,0,0,0|2,0,0]=3 1378 B13R1.24 CCSCC[C@@H](O)c1ccccc1 62a_100000210202_100000729684 [0,1,0,0,0,0|1,0,2]=4 1379 B13R1.24 CCSCC[C@@H](O)c1ccccc1 62a_100000729684_100000210202 [0,1,0,0,0,0|1,0,2]=4 1380 B13R1.24 CCSCOC(=O)c1ccccc1 62a_100000073877_100000210202 [0,1,0,0,0,0|0,0,0]=1 1381 B13R1.24 CCSCOC(=O)c1ccccc1 62a_100000210202_100000073877 [0,1,0,0,0,0|0,0,0]=1 1382 B13R1.24 CN(CCCCF)c1ccccc1 2230a_100000210012_100000729493 [0,1,0,0,0,0|3,0,0]=4 1383 B13R1.24 CN(CCCCF)c1ccccc1 269982a_100000210012_100000729493 [0,1,0,0,0,0|3,0,0]=4 1384 B13R1.24 CN(CCCCF)c1ccccc1 34a_100000210012_100000729493 [0,1,0,0,0,0|3,0,0]=4 1385 B13R1.24 CN(CCCCO)c1ccccc1 2230a_100000210012_100000210776 [0,1,0,0,0,0|3,0,0]=4 1386 B13R1.24 CN(CCCCO)c1ccccc1 269982a_100000210012_100000210776 [0,1,0,0,0,0|3,0,0]=4 1387 B13R1.24 CN(CCCCO)c1ccccc1 34a_100000210012_100011216708 [0,1,0,0,0,0|3,0,0]=4 1388 B13R1.24 CNCCCC(=O)c1ccccc1 2230a_106832991635_100000211006 [0,1,0,0,0,0|1,0,0]=2 1389 B13R1.24 CNCCCC(=O)c1ccccc1 7a_106832991635_100000211006 [0,1,0,0,0,0|1,0,0]=2 1390 B13R1.24 CNCCNC(=O)c1ccccc1 2230a_100000736134_200000210301 [0,1,0,0,0,0|1,0,0]=2 1391 B13R1.24 CNCCNC(=O)c1ccccc1 7a_106832991635_200011215302 [0,1,0,0,0,0|1,0,0]=2 1392 B13R1.24 CNCCNC(=O)c1ccncc1 2230a_200011198449_200000210301 [0,1,0,0,0,0|2,0,0]=3 1393 B13R1.24 CNCCOC(=O)c1ccccc1 34a_100102657272_100009812718 [0,1,0,0,0,0|0,0,0]=1 1394 B13R1.24 CNCCOC(=O)c1ccccc1 7a_106832991635_100000184176 [0,1,0,0,0,0|0,0,0]=1 1395 B13R1.24 COCCCC(=O)c1ccccc1 1458a_100000185807_100000740836 [0,1,0,0,0,0|1,0,0]=2 1396 B13R1.24 COCCCC(N)c1ccccc1 34a_100000759318_200000210301 [0,1,0,0,0,0|2,0,1]=4 1397 B13R1.24 COCCCN(C)c1ccccc1 2230a_100000210012_100000740836 [0,1,0,0,0,0|3,0,0]=4 1398 B13R1.24 COCCCN(C)c1ccccc1 269982a_100000210012_100000740836 [0,1,0,0,0,0|3,0,0]=4 1399 B13R1.24 COCCCN(C)c1ccccc1 34a_100000210012_100000740836 [0,1,0,0,0,0|3,0,0]=4 1400 B13R1.24 COCCNC(=O)c1ccccc1 1626a_100000209980_100000185807 [0,1,0,0,0,0|1,0,0]=2 1401 B13R1.24 COCCNC(=O)c1ccccc1 240690a_100000209980_100000185807 [0,1,0,0,0,0|1,0,0]=2 1402 B13R1.24 COCCNC(=O)c1ccccc1 34a_200000158897_200000210301 [0,1,0,0,0,0|1,0,0]=2 1403 B13R1.24 COCCNC(=O)c1ccccc1 527a_100000209980_100000185807 [0,1,0,0,0,0|1,0,0]=2 1404 B13R1.24 COCCNC(=O)c1ccccc1 7a_200000158897_200000210301 [0,1,0,0,0,0|1,0,0]=2 1405 B13R1.24 COCCNC(C)c1ccccc1 2230a_100000209980_100000230085 [0,1,0,0,0,0|2,0,1]=4 1406 B13R1.24 COCCNC(C)c1ccccc1 269862a_100000209980_100000185851 [0,1,0,0,0,0|2,0,1]=4 1407 B13R1.24 COCCN[C@H](C)c1ccccc1 2230a_100000751104_100011201679 [0,1,0,0,0,0|2,0,1]=4 1408 B13R1.24 COCCOC(=O)c1ccccc1 34a_100138415774_100009812718 [0,1,0,0,0,0|0,0,0]=1 1409 B13R1.24 COCCOC(=O)c1ccccc1 7a_100000025465_200000210301 [0,1,0,0,0,0|0,0,0]=1 1410 B13R1.24 COCCOC(C)c1ccccc1 34a_100000210237_100000211855 [0,1,0,0,0,0|1,0,1]=3 1411 B13R1.24 COCCO[C@H](C)c1ccccc1 34a_100000761318_100011201679 [0,1,0,0,0,0|1,0,1]=3 1412 B13R1.24 COCCO[C@H](C)c1ccccc1 7a_100000761318_100000233755 [0,1,0,0,0,0|1,0,1]=3 1413 B13R1.24 COCCSC(C)c1ccccc1 62a_100000230085_100000233755 [0,1,0,0,0,0|1,1,1]=4 1414 B13R1.24 COCCSC(C)c1ccccc1 62a_100000233755_100000230085 [0,1,0,0,0,0|1,1,1]=4 1415 B13R1.24 COCSCC(=O)c1ccccc1 62a_100000211460_100000766300 [0,1,0,0,0,0|1,1,0]=3 1416 B13R1.24 COCSCC(=O)c1ccccc1 62a_100000766300_100000211460 [0,1,0,0,0,0|1,1,0]=3 1417 B13R1.24 COCSCC(=O)c1ccccn1 62a_100000027445_100000766300 [0,1,0,0,0,0|2,1,0]=4 1418 B13R1.24 COCSCC(=O)c1ccccn1 62a_100000766300_100000027445 [0,1,0,0,0,0|2,1,0]=4 1419 B13R1.24 COCSCC(=O)c1cccnc1 62a_100000757877_100000766300 [0,1,0,0,0,0|2,1,0]=4 1420 B13R1.24 COCSCC(=O)c1cccnc1 62a_100000766300_100000757877 [0,1,0,0,0,0|2,1,0]=4 1421 B13R1.24 COCSCC(=O)c1ccncc1 62a_100000027454_100000766300 [0,1,0,0,0,0|2,1,0]=4 1422 B13R1.24 COCSCC(=O)c1ccncc1 62a_100000766300_100000027454 [0,1,0,0,0,0|2,1,0]=4 1423 B13R1.24 COCSCS(=O)c1ccccc1 62a_100000766300_100000031784 [0,1,0,0,0,0|2,1,0]=4 1424 B13R1.24 CSCCCC(=O)c1ccccc1 62a_100000211006_200000210301 [0,1,0,0,0,0|1,0,0]=2 1425 B13R1.24 CSCCCC(=O)c1ccccc1 62a_200000210301_100000211006 [0,1,0,0,0,0|1,0,0]=2 1426 B13R1.24 CSCCNC(=O)c1ccccc1 11a_100020590264_100000185807 [0,1,0,0,0,0|1,0,0]=2 1427 B13R1.24 CSCCNC(=O)c1ccccc1 1626a_100020590264_100000185807 [0,1,0,0,0,0|1,0,0]=2 1428 B13R1.24 CSCCNC(=O)c1ccccc1 240690a_100020590264_100000185807 [0,1,0,0,0,0|1,0,0]=2 1429 B13R1.24 CSCCNC(=O)c1ccccc1 527a_100020590264_100000185807 [0,1,0,0,0,0|1,0,0]=2 1430 B13R1.24 CSCCNC(=O)c1ccccc1 62a_200000210301_200011215302 [0,1,0,0,0,0|1,0,0]=2 1431 B13R1.24 CSCCNC(=O)c1ccccc1 62a_200011215302_200000210301 [0,1,0,0,0,0|1,0,0]=2 1432 B13R1.24 CSCCNC(C)c1ccccc1 2230a_100020590264_100000230085 [0,1,0,0,0,0|2,0,1]=4 1433 B13R1.24 CSCCNC(C)c1ccccc1 269862a_100020590264_100000185851 [0,1,0,0,0,0|2,0,1]=4 1434 B13R1.24 CSCCN[C@H](C)c1ccccc1 2230a_100000751104_100000751147 [0,1,0,0,0,0|2,0,1]=4 1435 B13R1.24 CSCCOC(=O)c1ccccc1 62a_100009812718_200000210301 [0,1,0,0,0,0|0,0,0]=1 1436 B13R1.24 CSCCOC(=O)c1ccccc1 62a_200000210301_100009812718 [0,1,0,0,0,0|0,0,0]=1 1437 B13R1.24 CSCCOC(C)c1ccccc1 34a_100000230434_100000211855 [0,1,0,0,0,0|1,0,1]=3 1438 B13R1.24 CSCCOC(C)c1ccccc1 7a_100000230434_100000230085 [0,1,0,0,0,0|1,0,1]=3 1439 B13R1.24 CSCCO[C@H](C)c1ccccc1 34a_100000761318_100000212216 [0,1,0,0,0,0|1,0,1]=3 1440 B13R1.24 CSCCO[C@H](C)c1ccccc1 7a_100000761318_100000212216 [0,1,0,0,0,0|1,0,1]=3 1441 B13R1.24 CSCCSC(C)c1ccccc1 62a_100000212216_100000230085 [0,1,0,0,0,0|1,1,1]=4 1442 B13R1.24 CSCCSC(C)c1ccccc1 62a_100000230085_100000751147 [0,1,0,0,0,0|1,1,1]=4 1443 B13R1.24 CSCOCC(C)c1ccccc1 34a_100011215166_100011218213 [0,1,0,0,0,0|2,0,1]=4 1444 B13R1.24 CSCOC[C@@H](N)c1ccccc1 34a_100000751927_100011218213 [0,1,0,0,0,0|2,0,1]=4 1445 B13R1.24 CSCSCC(=O)c1ccccc1 62a_100000211460_100011218213 [0,1,0,0,0,0|1,1,0]=3 1446 B13R1.24 CSCSCC(=O)c1ccccc1 62a_100011218213_100000211460 [0,1,0,0,0,0|1,1,0]=3 1447 B13R1.24 CSCSCC(=O)c1ccccn1 62a_100000027445_100011218213 [0,1,0,0,0,0|2,1,0]=4 1448 B13R1.24 CSCSCC(=O)c1ccccn1 62a_100011218213_100000027445 [0,1,0,0,0,0|2,1,0]=4 1449 B13R1.24 CSCSCC(=O)c1cccnc1 62a_100000757877_100011218213 [0,1,0,0,0,0|2,1,0]=4 1450 B13R1.24 CSCSCC(=O)c1cccnc1 62a_100011218213_100000757877 [0,1,0,0,0,0|2,1,0]=4 1451 B13R1.24 CSCSCC(=O)c1ccncc1 62a_100000027454_100011218213 [0,1,0,0,0,0|2,1,0]=4 1452 B13R1.24 CSCSCC(=O)c1ccncc1 62a_100011218213_100000027454 [0,1,0,0,0,0|2,1,0]=4 1453 B13R1.24 CSCSCS(=O)c1ccccc1 62a_100011218213_100000031784 [0,1,0,0,0,0|2,1,0]=4 1454 B13R1.24 C[C@@H](NCCCF)c1ccccc1 2230a_100000751104_100011934791 [0,1,0,0,0,0|2,0,1]=4 1455 B13R1.24 C[C@@H](NCCCO)c1ccccc1 2230a_100000751104_100000230001 [0,1,0,0,0,0|2,0,1]=4 1456 B13R1.24 C[C@@H](OCCC#N)c1ccccc1 7a_100000761318_100000184422 [0,1,0,0,0,0|1,0,2]=4 1457 B13R1.24 C[C@@H](OCCCF)c1ccccc1 34a_100000761318_100011934791 [0,1,0,0,0,0|1,0,1]=3 1458 B13R1.24 C[C@@H](OCCCF)c1ccccc1 7a_100000761318_100011934791 [0,1,0,0,0,0|1,0,1]=3 1459 B13R1.24 C[C@@H](OCCCO)c1ccccc1 34a_100000761318_100000230001 [0,1,0,0,0,0|1,0,1]=3 1460 B13R1.24 C[C@@H](OCCCO)c1ccccc1 7a_100000761318_100011215043 [0,1,0,0,0,0|1,0,1]=3 1461 B13R1.24 N#CCCCC(=O)c1ccccc1 1458a_100000185807_100000211468 [0,1,0,0,0,0|1,0,1]=3 1462 B13R1.24 N#CCCNC(=O)c1ccccc1 11a_100000720768_100000185807 [0,1,0,0,0,0|1,0,1]=3 1463 B13R1.24 N#CCCNC(=O)c1ccccc1 1626a_100000720768_100000185807 [0,1,0,0,0,0|1,0,1]=3 1464 B13R1.24 N#CCCNC(=O)c1ccccc1 240690a_100000720768_100000185807 [0,1,0,0,0,0|1,0,1]=3 1465 B13R1.24 N#CCCNC(=O)c1ccccc1 527a_100000720768_100000185807 [0,1,0,0,0,0|1,0,1]=3 1466 B13R1.24 N#CCSCC(=O)c1ccccc1 62a_100000211460_100011215382 [0,1,0,0,0,0|1,1,1]=4 1467 B13R1.24 N#CCSCC(=O)c1ccccc1 62a_100011215382_100000211460 [0,1,0,0,0,0|1,1,1]=4 1468 B13R1.24 NCCOCC(=O)c1ccccn1 34a_100000210304_100000027445 [0,1,0,0,0,0|2,0,0]=3 1469 B13R1.24 NCCOCC(O)c1ccccc1 34a_100000210304_100000185958 [0,1,0,0,0,0|1,0,2]=4 1470 B13R1.24 NCCOC[C@@H](O)c1ccccc1 34a_100000210304_100011933945 [0,1,0,0,0,0|1,0,2]=4 1471 B13R1.24 N[C@H](COCCF)c1ccccc1 34a_100000751927_100011217306 [0,1,0,0,0,0|2,0,1]=4 1472 B13R1.24 N[C@H](COCCO)c1ccccc1 34a_100000751927_100000211926 [0,1,0,0,0,0|2,0,1]=4 1473 B13R1.24 O=C(CC#CCO)c1ccccc1 1458a_100000185807_200000047223 [0,1,0,0,0,0|1,0,2]=4 1474 B13R1.24 O=C(CCCCF)c1ccccc1 1458a_100000185807_100000729493 [0,1,0,0,0,0|1,0,0]=2 1475 B13R1.24 O=C(CCCCO)c1ccccc1 1458a_100000185807_100000210776 [0,1,0,0,0,0|1,0,0]=2 1476 B13R1.24 O=C(CCSCF)c1ccccc1 62a_100000750707_100015361967 [0,1,0,0,0,0|2,0,0]=3 1477 B13R1.24 O=C(CCSCF)c1ccccc1 62a_100015361967_100000750707 [0,1,0,0,0,0|2,0,0]=3 1478 B13R1.24 O=C(CNCCF)c1ccccn1 34a_100000724931_100000027445 [0,1,0,0,0,0|3,0,0]=4 1479 B13R1.24 O=C(CNCCO)c1ccccn1 34a_100016990907_100000027445 [0,1,0,0,0,0|3,0,0]=4 1480 B13R1.24 O=C(COCCBr)c1ccccn1 34a_100000211926_100000027445 [0,1,0,0,0,0|2,0,0]=3 1481 B13R1.24 O=C(CSCCF)c1ccccc1 62a_100000211460_100011217306 [0,1,0,0,0,0|1,1,0]=3 1482 B13R1.24 O=C(CSCCF)c1ccccc1 62a_100011217306_100000211460 [0,1,0,0,0,0|1,1,0]=3 1483 B13R1.24 O=C(CSCCF)c1ccccn1 62a_100000027445_100011217306 [0,1,0,0,0,0|2,1,0]=4 1484 B13R1.24 O=C(CSCCF)c1ccccn1 62a_100011217306_100000027445 [0,1,0,0,0,0|2,1,0]=4 1485 B13R1.24 O=C(CSCCF)c1cccnc1 62a_100000757877_100011217306 [0,1,0,0,0,0|2,1,0]=4 1486 B13R1.24 O=C(CSCCF)c1cccnc1 62a_100011217306_100000757877 [0,1,0,0,0,0|2,1,0]=4 1487 B13R1.24 O=C(CSCCF)c1ccncc1 62a_100000027454_100011217306 [0,1,0,0,0,0|2,1,0]=4 1488 B13R1.24 O=C(CSCCF)c1ccncc1 62a_100011217306_100000027454 [0,1,0,0,0,0|2,1,0]=4 1489 B13R1.24 O=C(CSCCO)c1ccccc1 62a_100000211460_100000211926 [0,1,0,0,0,0|1,1,0]=3 1490 B13R1.24 O=C(CSCCO)c1ccccc1 62a_100000211926_100000211460 [0,1,0,0,0,0|1,1,0]=3 1491 B13R1.24 O=C(CSCCO)c1ccccn1 62a_100000027445_100000211926 [0,1,0,0,0,0|2,1,0]=4 1492 B13R1.24 O=C(CSCCO)c1ccccn1 62a_100000211926_100000027445 [0,1,0,0,0,0|2,1,0]=4 1493 B13R1.24 O=C(CSCCO)c1cccnc1 62a_100000211926_100000757877 [0,1,0,0,0,0|2,1,0]=4 1494 B13R1.24 O=C(CSCCO)c1cccnc1 62a_100000757877_100000211926 [0,1,0,0,0,0|2,1,0]=4 1495 B13R1.24 O=C(CSCCO)c1ccncc1 62a_100000027454_100000211926 [0,1,0,0,0,0|2,1,0]=4 1496 B13R1.24 O=C(CSCCO)c1ccncc1 62a_100000211926_100000027454 [0,1,0,0,0,0|2,1,0]=4 1497 B13R1.24 O=C(NCCCF)c1ccccc1 11a_100015189416_100000185807 [0,1,0,0,0,0|1,0,0]=2 1498 B13R1.24 O=C(NCCCF)c1ccccc1 1626a_100015189416_100000185807 [0,1,0,0,0,0|1,0,0]=2 1499 B13R1.24 O=C(NCCCF)c1ccccc1 240690a_100015189416_100000185807 [0,1,0,0,0,0|1,0,0]=2 1500 B13R1.24 O=C(NCCCF)c1ccccc1 527a_100015189416_100000185807 [0,1,0,0,0,0|1,0,0]=2 1501 B13R1.24 O=C(NCCCO)c1ccccc1 240690a_100000182051_100000185807 [0,1,0,0,0,0|1,0,0]=2 1502 B13R1.24 O=C(NCCCO)c1ccccc1 527a_100000182051_100000185807 [0,1,0,0,0,0|1,0,0]=2 1503 B13R1.24 O=C(NNCCO)c1ccccc1 22a_100000210001_100000185807 [0,1,0,0,0,0|2,0,0]=3 1504 B13R1.24 O=C(OCSCF)c1ccccc1 62a_100000073877_100015361967 [0,1,0,0,0,0|1,0,0]=2 1505 B13R1.24 O=C(OCSCF)c1ccccc1 62a_100015361967_100000073877 [0,1,0,0,0,0|1,0,0]=2 1506 B13R1.24 O=CCSCC(=O)c1ccccc1 62a_100000211460_200015260668 [0,1,0,0,0,0|1,1,1]=4 1507 B13R1.24 O=CCSCC(=O)c1ccccc1 62a_200015260668_100000211460 [0,1,0,0,0,0|1,1,1]=4 1508 B13R1.24 O=S(CCSCF)c1ccccc1 62a_100015361967_100000740319 [0,1,0,0,0,0|3,0,0]=4 1509 B13R1.24 O=S(CSCCF)c1ccccc1 62a_100011217306_100000031784 [0,1,0,0,0,0|2,1,0]=4 1510 B13R1.24 O=S(CSCCO)c1ccccc1 62a_100000211926_100000031784 [0,1,0,0,0,0|2,1,0]=4 1511 B13R1.24 OC(COCCBr)c1ccccc1 34a_100000211926_100000185958 [0,1,0,0,0,0|1,0,2]=4 1512 B13R1.24 O[C@H](COCCBr)c1ccccc1 34a_100000211926_100011933945 [0,1,0,0,0,0|1,0,2]=4 1513 B13R1.24 [13CH3]NCCNC(=O)c1ccccc1 2230a_100000736134_200025704644 [0,1,0,0,0,0|1,0,0]=2 1514 B13R1.24 [13CH3]NCCNC(=O)c1ccncc1 2230a_200011198449_200025704644 [0,1,0,0,0,0|2,0,0]=3 1515 B13R1.24 [13CH3]OCCCC(N)c1ccccc1 34a_100000759318_200025704644 [0,1,0,0,0,0|2,0,1]=4 1516 B13R1.24 [13CH3]OCCNC(=O)c1ccccc1 34a_200000158897_200025704644 [0,1,0,0,0,0|1,0,0]=2 1517 B13R1.24 [13CH3]OCCNC(=O)c1ccccc1 7a_200000158897_200025704644 [0,1,0,0,0,0|1,0,0]=2 1518 B13R1.24 [13CH3]OCCOC(=O)c1ccccc1 7a_100000025465_200025704644 [0,1,0,0,0,0|0,0,0]=1 1519 B13R1.24 [13CH3]SCCCC(=O)c1ccccc1 62a_100000211006_200025704644 [0,1,0,0,0,0|1,0,0]=2 1520 B13R1.24 [13CH3]SCCCC(=O)c1ccccc1 62a_200025704644_100000211006 [0,1,0,0,0,0|1,0,0]=2 1521 B13R1.24 [13CH3]SCCNC(=O)c1ccccc1 62a_200011215302_200025704644 [0,1,0,0,0,0|1,0,0]=2 1522 B13R1.24 [13CH3]SCCNC(=O)c1ccccc1 62a_200025704644_200011215302 [0,1,0,0,0,0|1,0,0]=2 1523 B13R1.24 [13CH3]SCCOC(=O)c1ccccc1 62a_100009812718_200025704644 [0,1,0,0,0,0|0,0,0]=1 1524 B13R1.24 [13CH3]SCCOC(=O)c1ccccc1 62a_200025704644_100009812718 [0,1,0,0,0,0|0,0,0]=1 1525 B13R1.26 C#CC(OCCC)c1ccccc1 34a_100011219616_100000210303 [0,1,0,0,0,0|1,0,1]=3 1526 B13R1.26 C#CC(OCCC)c1ccccc1 7a_100011219616_100000210303 [0,1,0,0,0,0|1,0,1]=3 1527 B13R1.26 C#CC(OCCF)c1ccccc1 34a_100011219616_100011217306 [0,1,0,0,0,0|2,0,1]=4 1528 B13R1.26 C#CC(OCCF)c1ccccc1 7a_100011219616_100011217306 [0,1,0,0,0,0|2,0,1]=4 1529 B13R1.26 C#CC(OCCO)c1ccccc1 34a_100011219616_100000211926 [0,1,0,0,0,0|2,0,1]=4 1530 B13R1.26 C#CC(OCCO)c1ccccc1 7a_100011219616_100000211926 [0,1,0,0,0,0|2,0,1]=4 1531 B13R1.26 C#CC(OCSC)c1ccccc1 34a_100011219616_100011218213 [0,1,0,0,0,0|2,0,1]=4 1532 B13R1.26 C=CC(=NNCC)c1ccccc1 4a_100000756455_200000750708 [0,1,0,0,0,0|3,0,0]=4 1533 B13R1.26 C=CC(OCCC)c1ccccc1 34a_100011215659_100000210303 [0,1,0,0,0,0|1,0,1]=3 1534 B13R1.26 C=CC(OCCC)c1ccccc1 7a_100011215659_100000210303 [0,1,0,0,0,0|1,0,1]=3 1535 B13R1.26 C=CC(OCCF)c1ccccc1 34a_100011215659_100011217306 [0,1,0,0,0,0|2,0,1]=4 1536 B13R1.26 C=CC(OCCF)c1ccccc1 7a_100011215659_100011217306 [0,1,0,0,0,0|2,0,1]=4 1537 B13R1.26 C=CC(OCCO)c1ccccc1 34a_100011215659_100000211926 [0,1,0,0,0,0|2,0,1]=4 1538 B13R1.26 C=CC(OCCO)c1ccccc1 7a_100011215659_100000211926 [0,1,0,0,0,0|2,0,1]=4 1539 B13R1.26 C=CC(OCSC)c1ccccc1 34a_100011215659_100011218213 [0,1,0,0,0,0|2,0,1]=4 1540 B13R1.26 C=CC(SCCC)c1ccccc1 62a_100000210303_200000085779 [0,1,0,0,0,0|1,1,1]=4 1541 B13R1.26 C=CC(SCCC)c1ccccc1 62a_200000085779_100000210303 [0,1,0,0,0,0|1,1,1]=4 1542 B13R1.26 CCC(OCCF)c1ccccc1 34a_100000698172_100011217306 [0,1,0,0,0,0|2,0,1]=4 1543 B13R1.26 CCC(OCCF)c1ccccc1 7a_100000698172_100011217306 [0,1,0,0,0,0|2,0,1]=4 1544 B13R1.26 CCC(OCCO)c1ccccc1 34a_100000698172_100000211926 [0,1,0,0,0,0|2,0,1]=4 1545 B13R1.26 CCC(OCCO)c1ccccc1 7a_100000698172_100000211926 [0,1,0,0,0,0|2,0,1]=4 1546 B13R1.26 CCC(OCSC)c1ccccc1 34a_100000698172_100011218213 [0,1,0,0,0,0|2,0,1]=4 1547 B13R1.26 CCCCC(NC)c1ccccc1 269862a_106832991636_100000211663 [0,1,0,0,0,0|2,0,1]=4 1548 B13R1.26 CCCCC(OC)c1ccccc1 34a_100000698411_200000210301 [0,1,0,0,0,0|1,0,2]=4 1549 B13R1.26 CCCCC(OC)c1ccccc1 7a_100000698411_200000210301 [0,1,0,0,0,0|1,0,2]=4 1550 B13R1.26 CCCCC(O[13CH3])c1ccccc1 34a_100000698411_200025704644 [0,1,0,0,0,0|1,0,2]=4 1551 B13R1.26 CCCCC(O[13CH3])c1ccccc1 7a_100000698411_200025704644 [0,1,0,0,0,0|1,0,2]=4 1552 B13R1.26 CCCCN(CC)c1ccccc1 2230a_100000210013_100000210211 [0,1,0,0,0,0|3,0,0]=4 1553 B13R1.26 CCCCN(CC)c1ccccc1 2230a_100000211623_100000210202 [0,1,0,0,0,0|3,0,0]=4 1554 B13R1.26 CCCCN(CC)c1ccccc1 269982a_100000210013_100000210211 [0,1,0,0,0,0|3,0,0]=4 1555 B13R1.26 CCCCN(CC)c1ccccc1 269982a_100000211623_100000204670 [0,1,0,0,0,0|3,0,0]=4 1556 B13R1.26 CCCCN(CC)c1ccccc1 34a_100000210013_100000210210 [0,1,0,0,0,0|3,0,0]=4 1557 B13R1.26 CCCCN(CC)c1ccccc1 34a_100000211623_100000210202 [0,1,0,0,0,0|3,0,0]=4 1558 B13R1.26 CCCCN(CF)c1ccccc1 269982a_100000211623_100015361967 [0,1,0,0,0,0|3,0,0]=4 1559 B13R1.26 CCCCN(CF)c1ccccc1 34a_100000211623_100015361967 [0,1,0,0,0,0|3,0,0]=4 1560 B13R1.26 CCCNC(CC)c1ccccc1 2230a_100000737752_100000210303 [0,1,0,0,0,0|2,0,1]=4 1561 B13R1.26 CCCNC(CC)c1ccccc1 269862a_100020643023_100000210124 [0,1,0,0,0,0|2,0,1]=4 1562 B13R1.26 CCCN[C@H](CO)c1ccccc1 2230a_100000751927_100000210303 [0,1,0,0,0,0|1,0,2]=4 1563 B13R1.26 CCCN[C@H](CO)c1ccccc1 34a_100000751927_100000210303 [0,1,0,0,0,0|1,0,2]=4 1564 B13R1.26 CCCOC(C#N)c1ccccc1 7a_100011217353_100000210303 [0,1,0,0,0,0|1,0,1]=3 1565 B13R1.26 CCCOC(CBr)c1ccccc1 7a_100000185958_100000210303 [0,1,0,0,0,0|1,0,1]=3 1566 B13R1.26 CCCOC(CC)c1ccccc1 34a_100000698172_100000210303 [0,1,0,0,0,0|1,0,1]=3 1567 B13R1.26 CCCOC(CC)c1ccccc1 7a_100000698172_100000210303 [0,1,0,0,0,0|1,0,1]=3 1568 B13R1.26 CCCOC(CN)c1ccccc1 34a_100000210709_100000210303 [0,1,0,0,0,0|1,0,1]=3 1569 B13R1.26 CCCO[C@H](CCl)c1ccccc1 34a_100011933945_100000210303 [0,1,0,0,0,0|1,0,1]=3 1570 B13R1.26 CCCO[C@H](CCl)c1ccccc1 7a_100011933945_100000210303 [0,1,0,0,0,0|1,0,1]=3 1571 B13R1.26 CCNN=C(CC)c1ccccc1 4a_100000756455_100000210124 [0,1,0,0,0,0|3,0,0]=4 1572 B13R1.26 CCNN=C(CF)c1ccccc1 4a_100000756455_100000069468 [0,1,0,0,0,0|3,0,0]=4 1573 B13R1.26 CCNN=C(CO)c1ccccc1 4a_100000756455_100000748912 [0,1,0,0,0,0|2,0,1]=4 1574 B13R1.26 CSCOC(CN)c1ccccc1 34a_100000210709_100011218213 [0,1,0,0,0,0|2,0,1]=4 1575 B13R1.26 CSCO[C@H](CCl)c1ccccc1 34a_100011933945_100011218213 [0,1,0,0,0,0|2,0,1]=4 1576 B13R1.26 FCCOC(CBr)c1ccccc1 7a_100000185958_100011217306 [0,1,0,0,0,0|2,0,1]=4 1577 B13R1.26 FCCO[C@H](CCl)c1ccccc1 34a_100011933945_100011217306 [0,1,0,0,0,0|2,0,1]=4 1578 B13R1.26 FCCO[C@H](CCl)c1ccccc1 7a_100011933945_100011217306 [0,1,0,0,0,0|2,0,1]=4 1579 B13R1.26 N#CC(OCCF)c1ccccc1 7a_100011217353_100011217306 [0,1,0,0,0,0|2,0,1]=4 1580 B13R1.26 N#CC(OCCO)c1ccccc1 7a_100011217353_100000211926 [0,1,0,0,0,0|2,0,1]=4 1581 B13R1.26 NCC(OCCF)c1ccccc1 34a_100000210709_100011217306 [0,1,0,0,0,0|2,0,1]=4 1582 B13R1.26 NCC(OCCO)c1ccccc1 34a_100000210709_100000211926 [0,1,0,0,0,0|2,0,1]=4 1583 B13R1.26 OCCOC(CBr)c1ccccc1 7a_100000185958_100000211926 [0,1,0,0,0,0|2,0,1]=4 1584 B13R1.26 OCCO[C@H](CCl)c1ccccc1 34a_100011933945_100000211926 [0,1,0,0,0,0|2,0,1]=4 1585 B13R1.26 OCCO[C@H](CCl)c1ccccc1 7a_100011933945_100000211926 [0,1,0,0,0,0|2,0,1]=4 1586 B13R1.45 C=C(C)CCC(=O)c1ccccc1 1458a_100000185807_100000730704 [0,1,0,0,0,0|1,0,1]=3 1587 B13R1.45 C=C(C)CNC(=O)c1ccccc1 11a_100000765925_100000185807 [0,1,0,0,0,0|1,0,1]=3 1588 B13R1.45 C=C(C)CNC(=O)c1ccccc1 1626a_100000765925_100000185807 [0,1,0,0,0,0|1,0,1]=3 1589 B13R1.45 C=C(C)CNC(=O)c1ccccc1 240690a_100000765925_100000185807 [0,1,0,0,0,0|1,0,1]=3 1590 B13R1.45 C=C(C)CNC(=O)c1ccccc1 527a_100000765925_100000185807 [0,1,0,0,0,0|1,0,1]=3 1591 B13R1.45 C=C(C)COC(C)c1ccccc1 34a_100000210245_100000211855 [0,1,0,0,0,0|1,0,2]=4 1592 B13R1.45 C=C(C)CO[C@H](C)c1ccccc1 34a_100000761318_100000748629 [0,1,0,0,0,0|1,0,2]=4 1593 B13R1.45 C=C(C)CO[C@H](C)c1ccccc1 7a_100000761318_100000748629 [0,1,0,0,0,0|1,0,2]=4 1594 B13R1.45 CC(=CCC(=O)c1ccccc1)C 1458a_100000185807_100000761012 [0,1,0,0,0,0|1,0,2]=4 1595 B13R1.45 CC(=NNC(C)C)c1ccccc1 4a_100000741168_100000185851 [0,1,0,0,0,0|3,0,0]=4 1596 B13R1.45 CC(=O)CCC(=O)c1ccccc1 1458a_100000070787_100000750707 [0,1,0,0,0,0|1,0,1]=3 1597 B13R1.45 CC(=O)CNC(=O)c1ccccc1 1458a_100000182045_200000210301 [0,1,0,0,0,0|1,0,1]=3 1598 B13R1.45 CC(=O)CNC(=O)c1cccnc1 1458a_100000688122_200000210301 [0,1,0,0,0,0|2,0,1]=4 1599 B13R1.45 CC(=O)COC(=O)c1ccccc1 1458a_100000070787_100000073877 [0,1,0,0,0,0|0,0,1]=2 1600 B13R1.45 CC(=O)COC(C)c1ccccc1 34a_100000211253_100000211855 [0,1,0,0,0,0|1,0,2]=4 1601 B13R1.45 CC(=O)CSC(=S)c1ccccc1 1458a_100000043459_200000210301 [0,1,0,0,0,0|0,2,1]=4 1602 B13R1.45 CC(=O)NNC(=O)c1ccccc1 22a_100000184135_100000070787 [0,1,0,0,0,0|2,0,1]=4 1603 B13R1.45 CC(=O)NNC(=O)c1ccccc1 22a_100000189765_100000185807 [0,1,0,0,0,0|2,0,1]=4 1604 B13R1.45 CC(Br)COC(C)c1ccccc1 34a_100012180447_100000211855 [0,1,0,0,0,0|1,0,1]=3 1605 B13R1.45 CC(C)CCC(=O)c1ccccc1 1458a_100000185807_100000210312 [0,1,0,0,0,0|1,0,0]=2 1606 B13R1.45 CC(C)CCN(C)c1ccccc1 2230a_100000210012_100000210312 [0,1,0,0,0,0|3,0,0]=4 1607 B13R1.45 CC(C)CCN(C)c1ccccc1 269982a_100000210012_100000210312 [0,1,0,0,0,0|3,0,0]=4 1608 B13R1.45 CC(C)CCN(C)c1ccccc1 34a_100000210012_100000210312 [0,1,0,0,0,0|3,0,0]=4 1609 B13R1.45 CC(C)CNC(=O)c1ccccc1 11a_100000210953_100000185807 [0,1,0,0,0,0|1,0,0]=2 1610 B13R1.45 CC(C)CNC(=O)c1ccccc1 1626a_100000210953_100000185807 [0,1,0,0,0,0|1,0,0]=2 1611 B13R1.45 CC(C)CNC(=O)c1ccccc1 240690a_100000210953_100000185807 [0,1,0,0,0,0|1,0,0]=2 1612 B13R1.45 CC(C)CNC(=O)c1ccccc1 527a_100000210953_100000185807 [0,1,0,0,0,0|1,0,0]=2 1613 B13R1.45 CC(C)CNC(C)c1ccccc1 2230a_100000210953_100000230085 [0,1,0,0,0,0|2,0,1]=4 1614 B13R1.45 CC(C)CNC(C)c1ccccc1 269862a_100000210953_100000185851 [0,1,0,0,0,0|2,0,1]=4 1615 B13R1.45 CC(C)CNC(C)c1ccccc1 34a_100000210953_100000211855 [0,1,0,0,0,0|2,0,1]=4 1616 B13R1.45 CC(C)CN[C@H](C)c1ccccc1 2230a_100000751104_100000210760 [0,1,0,0,0,0|2,0,1]=4 1617 B13R1.45 CC(C)CN[C@H](C)c1ccccc1 270004a_100000751104_100000210432 [0,1,0,0,0,0|2,0,1]=4 1618 B13R1.45 CC(C)COC(C)c1ccccc1 34a_100000210257_100000211855 [0,1,0,0,0,0|1,0,1]=3 1619 B13R1.45 CC(C)CO[C@H](C)c1ccccc1 34a_100000761318_100000210624 [0,1,0,0,0,0|1,0,1]=3 1620 B13R1.45 CC(C)CO[C@H](C)c1ccccc1 7a_100000761318_100000210760 [0,1,0,0,0,0|1,0,1]=3 1621 B13R1.45 CC(C)CSC(C)c1ccccc1 62a_100000210624_100000230085 [0,1,0,0,0,0|1,1,1]=4 1622 B13R1.45 CC(C)CSC(C)c1ccccc1 62a_100000230085_100000210760 [0,1,0,0,0,0|1,1,1]=4 1623 B13R1.45 CC(C)NCC(=O)c1ccccn1 34a_100138425928_100000027445 [0,1,0,0,0,0|3,0,0]=4 1624 B13R1.45 CC(C)NNC(=O)c1ccccc1 22a_100000741168_100000185807 [0,1,0,0,0,0|2,0,0]=3 1625 B13R1.45 CC(C)OCC(=O)c1ccccn1 34a_100000212225_100000027445 [0,1,0,0,0,0|3,0,0]=4 1626 B13R1.45 CC(C)SCC(=O)c1ccccc1 62a_100000210206_100000211460 [0,1,0,0,0,0|2,0,0]=3 1627 B13R1.45 CC(C)SCC(=O)c1ccccc1 62a_100000211460_100000210206 [0,1,0,0,0,0|2,0,0]=3 1628 B13R1.45 CC(C)SCC(=O)c1ccccn1 62a_100000027445_100000210206 [0,1,0,0,0,0|3,0,0]=4 1629 B13R1.45 CC(C)SCC(=O)c1ccccn1 62a_100000210206_100000027445 [0,1,0,0,0,0|3,0,0]=4 1630 B13R1.45 CC(C)SCC(=O)c1cccnc1 62a_100000210206_100000757877 [0,1,0,0,0,0|3,0,0]=4 1631 B13R1.45 CC(C)SCC(=O)c1cccnc1 62a_100000757877_100000210206 [0,1,0,0,0,0|3,0,0]=4 1632 B13R1.45 CC(C)SCC(=O)c1ccncc1 62a_100000027454_100000210206 [0,1,0,0,0,0|3,0,0]=4 1633 B13R1.45 CC(C)SCC(=O)c1ccncc1 62a_100000210206_100000027454 [0,1,0,0,0,0|3,0,0]=4 1634 B13R1.45 CC(C)SCS(=O)c1ccccc1 62a_100000210206_100000031784 [0,1,0,0,0,0|3,0,0]=4 1635 B13R1.45 CC(F)COC(C)c1ccccc1 34a_100015925927_100000211855 [0,1,0,0,0,0|1,0,1]=3 1636 B13R1.45 CC(O)CCC(=O)c1ccccc1 1458a_100000185807_100012276601 [0,1,0,0,0,0|1,0,0]=2 1637 B13R1.45 CC(O)CCN(C)c1ccccc1 2230a_100000210012_100012276601 [0,1,0,0,0,0|3,0,0]=4 1638 B13R1.45 CC(O)CCN(C)c1ccccc1 269982a_100000210012_100012276601 [0,1,0,0,0,0|3,0,0]=4 1639 B13R1.45 CC(O)CCN(C)c1ccccc1 34a_100000210012_100012276601 [0,1,0,0,0,0|3,0,0]=4 1640 B13R1.45 CC(O)CNC(=O)c1ccccc1 11a_100000210904_100000185807 [0,1,0,0,0,0|1,0,0]=2 1641 B13R1.45 CC(O)CNC(=O)c1ccccc1 240690a_100000210904_100000185807 [0,1,0,0,0,0|1,0,0]=2 1642 B13R1.45 CC(O)CNC(=O)c1ccccc1 527a_100000210904_100000185807 [0,1,0,0,0,0|1,0,0]=2 1643 B13R1.45 CC(O)CNC(C)c1ccccc1 2230a_100000210904_100000230085 [0,1,0,0,0,0|2,0,1]=4 1644 B13R1.45 CC(O)CNC(C)c1ccccc1 269862a_100000210904_100000185851 [0,1,0,0,0,0|2,0,1]=4 1645 B13R1.45 CC(O)CNC(C)c1ccccc1 34a_100000210904_100000211855 [0,1,0,0,0,0|2,0,1]=4 1646 B13R1.45 CC(O)CN[C@H](C)c1ccccc1 2230a_100000751104_100011218427 [0,1,0,0,0,0|2,0,1]=4 1647 B13R1.45 CC(O)CO[C@H](C)c1ccccc1 34a_100000761318_100011218427 [0,1,0,0,0,0|1,0,1]=3 1648 B13R1.45 CC(O)CO[C@H](C)c1ccccc1 7a_100000761318_100011218427 [0,1,0,0,0,0|1,0,1]=3 1649 B13R1.45 CC(O)CSC(C)c1ccccc1 62a_100000230085_100011218427 [0,1,0,0,0,0|1,1,1]=4 1650 B13R1.45 CC(O)CSC(C)c1ccccc1 62a_100011218427_100000230085 [0,1,0,0,0,0|1,1,1]=4 1651 B13R1.45 CC(OCC(F)F)c1ccccc1 34a_100000743014_100000211855 [0,1,0,0,0,0|2,0,1]=4 1652 B13R1.45 CC(OC[C@@H](C)Cl)c1ccccc1 34a_100016084084_100000211855 [0,1,0,0,0,0|1,0,1]=3 1653 B13R1.45 CC(OC[C@@H](C)N)c1ccccc1 34a_100000737577_100000211855 [0,1,0,0,0,0|1,0,1]=3 1654 B13R1.45 CC(SC[C@@H](C)O)c1ccccc1 62a_100000230085_100009817552 [0,1,0,0,0,0|1,1,1]=4 1655 B13R1.45 CC(SC[C@@H](C)O)c1ccccc1 62a_100009817552_100000230085 [0,1,0,0,0,0|1,1,1]=4 1656 B13R1.45 CN(C)CCC(=O)c1ccccc1 2230a_100102631434_100000750707 [0,1,0,0,0,0|2,0,0]=3 1657 B13R1.45 CN(C)CCC(=O)c1ccccc1 269982a_100102631434_100000750707 [0,1,0,0,0,0|2,0,0]=3 1658 B13R1.45 CN(C)CCS(=O)c1ccccc1 2230a_100102631434_100000740319 [0,1,0,0,0,0|3,0,0]=4 1659 B13R1.45 CN(C)CCS(=O)c1ccccc1 269982a_100102631434_100000740319 [0,1,0,0,0,0|3,0,0]=4 1660 B13R1.45 CN(C)COC(=O)c1ccccc1 269982a_100102631434_100000073877 [0,1,0,0,0,0|1,0,0]=2 1661 B13R1.45 C[C@@H](O)CN[C@H](C)c1ccccc1 2230a_100000751104_100009817552 [0,1,0,0,0,0|2,0,1]=4 1662 B13R1.45 C[C@@H](O)CO[C@H](C)c1ccccc1 34a_100000761318_100009817552 [0,1,0,0,0,0|1,0,1]=3 1663 B13R1.45 C[C@@H](O)CO[C@H](C)c1ccccc1 7a_100000761318_100009817552 [0,1,0,0,0,0|1,0,1]=3 1664 B13R1.45 C[C@@H](OCC(F)F)c1ccccc1 34a_100000761318_100011934356 [0,1,0,0,0,0|2,0,1]=4 1665 B13R1.45 C[C@@H](OCC(F)F)c1ccccc1 7a_100000761318_100011934356 [0,1,0,0,0,0|2,0,1]=4 1666 B13R1.45 NC(=O)CNC(=O)c1ccccc1 11a_100000711301_100000185807 [0,1,0,0,0,0|2,0,1]=4 1667 B13R1.45 NC(=O)CNC(=O)c1ccccc1 240690a_100000711301_100000185807 [0,1,0,0,0,0|2,0,1]=4 1668 B13R1.45 NC(=O)CNC(=O)c1ccccc1 527a_100000711301_100000185807 [0,1,0,0,0,0|2,0,1]=4 1669 B13R1.45 O=C(NCC(F)F)c1ccccc1 11a_100000765723_100000185807 [0,1,0,0,0,0|2,0,0]=3 1670 B13R1.45 O=C(NCC(F)F)c1ccccc1 1626a_100000765723_100000185807 [0,1,0,0,0,0|2,0,0]=3 1671 B13R1.45 O=C(NCC(F)F)c1ccccc1 240690a_100000765723_100000185807 [0,1,0,0,0,0|2,0,0]=3 1672 B13R1.45 O=C(NCC(F)F)c1ccccc1 527a_100000765723_100000185807 [0,1,0,0,0,0|2,0,0]=3 1673 B13R1.45 [13CH3]C(=O)CNC(=O)c1ccccc1 1458a_100000182045_200025704644 [0,1,0,0,0,0|1,0,1]=3 1674 B13R1.45 [13CH3]C(=O)CNC(=O)c1cccnc1 1458a_100000688122_200025704644 [0,1,0,0,0,0|2,0,1]=4 1675 B13R1.45 [13CH3]C(=O)CSC(=S)c1ccccc1 1458a_100000043459_200025704644 [0,1,0,0,0,0|0,2,1]=4 1676 B13R1.47 C#CCN(C)C(=O)c1ccccc1 11a_100000225692_100000185807 [0,1,0,0,0,0|1,0,2]=4 1677 B13R1.47 C#CCN(C)C(=O)c1ccccc1 1626a_100000225692_100000185807 [0,1,0,0,0,0|1,0,2]=4 1678 B13R1.47 C#CCN(C)C(=O)c1ccccc1 527a_100000225692_100000185807 [0,1,0,0,0,0|1,0,2]=4 1679 B13R1.47 C=C(C(=O)CCC)c1ccccc1 1458a_100000065200_100000210303 [0,1,0,0,0,0|2,0,0]=3 1680 B13R1.47 C=C(C(=O)CCF)c1ccccc1 1458a_100000065200_100011217306 [0,1,0,0,0,0|3,0,0]=4 1681 B13R1.47 C=C(C(=O)CCO)c1ccccc1 1458a_100000065200_100000211926 [0,1,0,0,0,0|3,0,0]=4 1682 B13R1.47 C=CCN(C)C(=O)c1ccccc1 11a_100000225617_100000185807 [0,1,0,0,0,0|1,0,2]=4 1683 B13R1.47 C=CCN(C)C(=O)c1ccccc1 1626a_100000225617_100000185807 [0,1,0,0,0,0|1,0,2]=4 1684 B13R1.47 C=CCN(C)C(=O)c1ccccc1 240690a_100000225617_100000185807 [0,1,0,0,0,0|1,0,2]=4 1685 B13R1.47 C=CCN(C)C(=O)c1ccccc1 527a_100000225617_100000185807 [0,1,0,0,0,0|1,0,2]=4 1686 B13R1.47 CC(CC#N)C(=O)c1ccccc1 1458a_100000185807_100009813641 [0,1,0,0,0,0|2,0,1]=4 1687 B13R1.47 CC(CCO)C(=O)c1ccccc1 1458a_100000185807_100009893172 [0,1,0,0,0,0|2,0,0]=3 1688 B13R1.47 CC(SCF)C(=O)c1ccccc1 62a_100000239700_100015361967 [0,1,0,0,0,0|3,0,0]=4 1689 B13R1.47 CC(SCF)C(=O)c1ccccc1 62a_100015361967_100000239700 [0,1,0,0,0,0|3,0,0]=4 1690 B13R1.47 CCCC(=O)C(C)c1ccccc1 1458a_100000211992_100000230085 [0,1,0,0,0,0|2,0,1]=4 1691 B13R1.47 CCCC(=O)C(F)c1ccccc1 1458a_100000698975_100000210303 [0,1,0,0,0,0|2,0,1]=4 1692 B13R1.47 CCCC(=O)N(C)c1ccccc1 11a_100000210012_100000211992 [0,1,0,0,0,0|3,0,0]=4 1693 B13R1.47 CCCC(=O)N(C)c1ccccc1 1626a_100000210012_100000211992 [0,1,0,0,0,0|3,0,0]=4 1694 B13R1.47 CCCC(=O)N(C)c1ccccc1 22a_100000210012_100000211992 [0,1,0,0,0,0|3,0,0]=4 1695 B13R1.47 CCCC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000210303 [0,1,0,0,0,0|2,0,1]=4 1696 B13R1.47 CCCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210303 [0,1,0,0,0,0|1,0,2]=4 1697 B13R1.47 CCCC(C)C(=O)c1ccccc1 1458a_100000185807_100000766640 [0,1,0,0,0,0|1,0,0]=2 1698 B13R1.47 CCCC(C)N(C)c1ccccc1 2230a_100000210012_100000766640 [0,1,0,0,0,0|3,0,0]=4 1699 B13R1.47 CCCC(C)N(C)c1ccccc1 269982a_100000210012_100000766640 [0,1,0,0,0,0|3,0,0]=4 1700 B13R1.47 CCCC(C)N(C)c1ccccc1 34a_100000210012_100000766640 [0,1,0,0,0,0|3,0,0]=4 1701 B13R1.47 CCCN(C)C(=O)c1ccccc1 11a_100000747261_100000185807 [0,1,0,0,0,0|1,0,0]=2 1702 B13R1.47 CCCN(C)C(=O)c1ccccc1 1626a_100000747261_100000185807 [0,1,0,0,0,0|1,0,0]=2 1703 B13R1.47 CCCN(C)C(=O)c1ccccc1 240690a_100000747261_100000185807 [0,1,0,0,0,0|1,0,0]=2 1704 B13R1.47 CCCN(C)C(=O)c1ccccc1 527a_100000747261_100000185807 [0,1,0,0,0,0|1,0,0]=2 1705 B13R1.47 CCCN(C)C(C)c1ccccc1 2230a_100000195388_100000210303 [0,1,0,0,0,0|2,0,1]=4 1706 B13R1.47 CCCN(C)C(C)c1ccccc1 2230a_100000747261_100000230085 [0,1,0,0,0,0|2,0,1]=4 1707 B13R1.47 CCCN(C)C(C)c1ccccc1 2230a_100020603006_200000210301 [0,1,0,0,0,0|2,0,1]=4 1708 B13R1.47 CCCN(C)C(C)c1ccccc1 269982a_100000195388_100000210303 [0,1,0,0,0,0|2,0,1]=4 1709 B13R1.47 CCCN(C)C(C)c1ccccc1 269982a_100000747261_100000230085 [0,1,0,0,0,0|2,0,1]=4 1710 B13R1.47 CCCN(C)C(C)c1ccccc1 269982a_100020603006_200000210301 [0,1,0,0,0,0|2,0,1]=4 1711 B13R1.47 CCCN([13CH3])C(C)c1ccccc1 2230a_100020603006_200025704644 [0,1,0,0,0,0|2,0,1]=4 1712 B13R1.47 CCCN([13CH3])C(C)c1ccccc1 269982a_100020603006_200025704644 [0,1,0,0,0,0|2,0,1]=4 1713 B13R1.47 CCNC(C)C(=O)c1ccccc1 2230a_100015525214_100000239700 [0,1,0,0,0,0|2,0,0]=3 1714 B13R1.47 CCSC(C)C(=O)c1ccccc1 62a_100000210202_100000239700 [0,1,0,0,0,0|2,0,0]=3 1715 B13R1.47 CCSC(C)C(=O)c1ccccc1 62a_100000239700_100000210202 [0,1,0,0,0,0|2,0,0]=3 1716 B13R1.47 CN(CC#N)C(=O)c1ccccc1 11a_100000748184_100000185807 [0,1,0,0,0,0|2,0,1]=4 1717 B13R1.47 CN(CC#N)C(=O)c1ccccc1 1626a_100000748184_100000185807 [0,1,0,0,0,0|2,0,1]=4 1718 B13R1.47 CN(CCO)C(=O)c1ccccc1 240690a_100000210263_100000185807 [0,1,0,0,0,0|2,0,0]=3 1719 B13R1.47 CN(CCO)C(=O)c1ccccc1 527a_100000210263_100000185807 [0,1,0,0,0,0|2,0,0]=3 1720 B13R1.47 COCC(C)C(=O)c1ccccc1 1458a_100000185807_100000765312 [0,1,0,0,0,0|2,0,0]=3 1721 B13R1.122 CC(C)(OCCF)c1ccccc1 7a_100000694644_100011217306 [0,1,0,0,0,0|2,0,1]=4 1722 B13R1.122 CC(C)(OCCO)c1ccccc1 7a_100000694644_100000211926 [0,1,0,0,0,0|2,0,1]=4 1723 B13R1.122 CCCNC(C)(C)c1ccccc1 2230a_100011218174_100000210303 [0,1,0,0,0,0|2,0,1]=4 1724 B13R1.122 CCCNS(=O)(=O)c1ccccc1 270084a_100020643023_100000210345 [0,1,0,0,0,0|2,0,0]=3 1725 B13R1.122 CCCNS(=O)(=O)c1ccccc1 274078a_100020643023_100000210345 [0,1,0,0,0,0|2,0,0]=3 1726 B13R1.122 CCCNS(=O)(=O)c1ccccc1 40a_100020643023_100000032697 [0,1,0,0,0,0|2,0,0]=3 1727 B13R1.122 CCCNS(=O)(=O)c1ccccn1 270084a_100020643023_100016994956 [0,1,0,0,0,0|3,0,0]=4 1728 B13R1.122 CCCNS(=O)(=O)c1ccccn1 274078a_100020643023_100016994956 [0,1,0,0,0,0|3,0,0]=4 1729 B13R1.122 CCCNS(=O)(=O)c1ccccn1 40a_100020643023_100000070048 [0,1,0,0,0,0|3,0,0]=4 1730 B13R1.122 CCCNS(=O)(=O)c1cccnc1 270084a_100020643023_100000736704 [0,1,0,0,0,0|3,0,0]=4 1731 B13R1.122 CCCNS(=O)(=O)c1cccnc1 274078a_100020643023_100000736704 [0,1,0,0,0,0|3,0,0]=4 1732 B13R1.122 CCCOC(C)(C)c1ccccc1 7a_100000694644_100000210303 [0,1,0,0,0,0|1,0,1]=3 1733 B13R1.122 CCCOC(C)(C)c1ccccn1 7a_100000041474_100000210303 [0,1,0,0,0,0|2,0,1]=4 1734 B13R1.122 CCCSC(C)(C)c1ccccc1 62a_100000034625_100000210303 [0,1,0,0,0,0|1,1,1]=4 1735 B13R1.122 CCCSC(C)(C)c1ccccc1 62a_100000210303_100000034625 [0,1,0,0,0,0|1,1,1]=4 1736 B13R1.122 CCCSC(F)(F)c1ccccc1 62a_100000210303_100000036403 [0,1,0,0,0,0|1,1,1]=4 1737 B13R1.122 CCNNS(=O)(=O)c1ccccc1 40a_100000756455_100000032697 [0,1,0,0,0,0|3,0,0]=4 1738 B13R1.122 CCOCS(=O)(=O)c1ccccc1 34a_100121572206_200009813291 [0,1,0,0,0,0|3,0,0]=4 1739 B13R1.122 CCSCS(=O)(=O)c1ccccc1 62a_100000210202_100000240042 [0,1,0,0,0,0|3,0,0]=4 1740 B13R1.122 CCSCS(=O)(=O)c1ccccc1 62a_100000240042_100000210202 [0,1,0,0,0,0|3,0,0]=4 1741 B13R1.122 CNCCS(=O)(=O)c1ccccc1 2230a_100000168333_200000210301 [0,1,0,0,0,0|3,0,0]=4 1742 B13R1.122 CNCCS(=O)(=O)c1ccccc1 2230a_106832991635_100000229977 [0,1,0,0,0,0|3,0,0]=4 1743 B13R1.122 CNCCS(=O)(=O)c1ccccc1 7a_106832991635_100000229977 [0,1,0,0,0,0|3,0,0]=4 1744 B13R1.122 COCCS(=O)(=O)c1ccccc1 34a_200011215558_200000210301 [0,1,0,0,0,0|3,0,0]=4 1745 B13R1.122 COCCS(=O)(=O)c1ccccc1 7a_200011215558_200000210301 [0,1,0,0,0,0|3,0,0]=4 1746 B13R1.122 CSCCS(=O)(=O)c1ccccc1 62a_100000229977_200000210301 [0,1,0,0,0,0|3,0,0]=4 1747 B13R1.122 CSCCS(=O)(=O)c1ccccc1 62a_200000210301_100000229977 [0,1,0,0,0,0|3,0,0]=4 1748 B13R1.122 O=S(=O)(NCCF)c1ccccc1 270084a_100000724931_100000210345 [0,1,0,0,0,0|3,0,0]=4 1749 B13R1.122 O=S(=O)(NCCF)c1ccccc1 274078a_100000724931_100000210345 [0,1,0,0,0,0|3,0,0]=4 1750 B13R1.122 O=S(=O)(NCCF)c1ccccc1 40a_100000724931_100000032697 [0,1,0,0,0,0|3,0,0]=4 1751 B13R1.122 O=S(=O)(NCCO)c1ccccc1 270084a_100000210304_100000210345 [0,1,0,0,0,0|3,0,0]=4 1752 B13R1.122 O=S(=O)(NCCO)c1ccccc1 274078a_100000210304_100000210345 [0,1,0,0,0,0|3,0,0]=4 1753 B13R1.122 O=S(=O)(NCCO)c1ccccc1 40a_100000210304_100000032697 [0,1,0,0,0,0|3,0,0]=4 1754 B13R1.122 [13CH3]NCCS(=O)(=O)c1ccccc1 2230a_100000168333_200025704644 [0,1,0,0,0,0|3,0,0]=4 1755 B13R1.122 [13CH3]OCCS(=O)(=O)c1ccccc1 34a_200011215558_200025704644 [0,1,0,0,0,0|3,0,0]=4 1756 B13R1.122 [13CH3]OCCS(=O)(=O)c1ccccc1 7a_200011215558_200025704644 [0,1,0,0,0,0|3,0,0]=4 1757 B13R1.122 [13CH3]SCCS(=O)(=O)c1ccccc1 62a_100000229977_200025704644 [0,1,0,0,0,0|3,0,0]=4 1758 B13R1.122 [13CH3]SCCS(=O)(=O)c1ccccc1 62a_200025704644_100000229977 [0,1,0,0,0,0|3,0,0]=4 1759 B13R1.674 C#CCCC(=O)c1ccccc1Br 1458a_100000188424_100000753159 [0,1,0,0,0,0|1,0,2]=4 1760 B13R1.674 C#CCCC(=O)c1ccccc1C 1458a_100000212026_100000753159 [0,1,0,0,0,0|1,0,2]=4 1761 B13R1.674 C#CCCC(=O)c1ccccc1Cl 1458a_100000185844_100000753159 [0,1,0,0,0,0|1,0,2]=4 1762 B13R1.674 C#CCCC(=O)c1ccccc1F 1458a_100000188656_100000753159 [0,1,0,0,0,0|1,0,2]=4 1763 B13R1.674 C#CCCC(=O)c1ccccc1I 1458a_100000187884_100000753159 [0,1,0,0,0,0|1,0,2]=4 1764 B13R1.674 C#CCCC(=O)c1ccccc1O 1458a_100015234032_100000753159 [0,1,0,0,0,0|1,0,2]=4 1765 B13R1.674 C#CCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000753159 [0,1,0,0,0,0|1,0,2]=4 1766 B13R1.674 C#CCNC(=O)c1ccccc1Br 11a_100000212058_100000188424 [0,1,0,0,0,0|1,0,2]=4 1767 B13R1.674 C#CCNC(=O)c1ccccc1Br 1626a_100000212058_100000188424 [0,1,0,0,0,0|1,0,2]=4 1768 B13R1.674 C#CCNC(=O)c1ccccc1Br 240690a_100000212058_100000188424 [0,1,0,0,0,0|1,0,2]=4 1769 B13R1.674 C#CCNC(=O)c1ccccc1Br 527a_100000212058_100000188424 [0,1,0,0,0,0|1,0,2]=4 1770 B13R1.674 C#CCNC(=O)c1ccccc1C 11a_100000212058_100000212026 [0,1,0,0,0,0|1,0,2]=4 1771 B13R1.674 C#CCNC(=O)c1ccccc1C 1626a_100000212058_100000212026 [0,1,0,0,0,0|1,0,2]=4 1772 B13R1.674 C#CCNC(=O)c1ccccc1C 240690a_100000212058_100000212026 [0,1,0,0,0,0|1,0,2]=4 1773 B13R1.674 C#CCNC(=O)c1ccccc1C 527a_100000212058_100000212026 [0,1,0,0,0,0|1,0,2]=4 1774 B13R1.674 C#CCNC(=O)c1ccccc1Cl 11a_100000212058_100000185844 [0,1,0,0,0,0|1,0,2]=4 1775 B13R1.674 C#CCNC(=O)c1ccccc1Cl 1626a_100000212058_100000185844 [0,1,0,0,0,0|1,0,2]=4 1776 B13R1.674 C#CCNC(=O)c1ccccc1Cl 240690a_100000212058_100000185844 [0,1,0,0,0,0|1,0,2]=4 1777 B13R1.674 C#CCNC(=O)c1ccccc1Cl 527a_100000212058_100000185844 [0,1,0,0,0,0|1,0,2]=4 1778 B13R1.674 C#CCNC(=O)c1ccccc1F 11a_100000212058_100000188656 [0,1,0,0,0,0|1,0,2]=4 1779 B13R1.674 C#CCNC(=O)c1ccccc1F 1626a_100000212058_100000188656 [0,1,0,0,0,0|1,0,2]=4 1780 B13R1.674 C#CCNC(=O)c1ccccc1F 240690a_100000212058_100000188656 [0,1,0,0,0,0|1,0,2]=4 1781 B13R1.674 C#CCNC(=O)c1ccccc1F 527a_100000212058_100000188656 [0,1,0,0,0,0|1,0,2]=4 1782 B13R1.674 C#CCNC(=O)c1ccccc1I 11a_100000212058_100000187884 [0,1,0,0,0,0|1,0,2]=4 1783 B13R1.674 C#CCNC(=O)c1ccccc1I 1626a_100000212058_100000187884 [0,1,0,0,0,0|1,0,2]=4 1784 B13R1.674 C#CCNC(=O)c1ccccc1I 240690a_100000212058_100000187884 [0,1,0,0,0,0|1,0,2]=4 1785 B13R1.674 C#CCNC(=O)c1ccccc1I 527a_100000212058_100000187884 [0,1,0,0,0,0|1,0,2]=4 1786 B13R1.674 C#CCNC(=O)c1ccccc1O 240690a_100000212058_100015234032 [0,1,0,0,0,0|1,0,2]=4 1787 B13R1.674 C#CCNC(=O)c1ccccc1[O-] 1626a_100000212058_100009911694 [0,1,0,0,0,0|1,0,2]=4 1788 B13R1.674 C#CCNC(=O)c1ccccc1[O-] 240690a_100000212058_100009911694 [0,1,0,0,0,0|1,0,2]=4 1789 B13R1.674 C#CCNC(=O)c1ccccc1[O-] 527a_100000212058_100009911694 [0,1,0,0,0,0|1,0,2]=4 1790 B13R1.674 C/C=C/CC(=O)c1ccccc1Br 1458a_100000188424_100102629194 [0,1,0,0,0,0|1,0,2]=4 1791 B13R1.674 C/C=C/CC(=O)c1ccccc1C 1458a_100000212026_100102629194 [0,1,0,0,0,0|1,0,2]=4 1792 B13R1.674 C/C=C/CC(=O)c1ccccc1Cl 1458a_100000185844_100102629194 [0,1,0,0,0,0|1,0,2]=4 1793 B13R1.674 C/C=C/CC(=O)c1ccccc1F 1458a_100000188656_100102629194 [0,1,0,0,0,0|1,0,2]=4 1794 B13R1.674 C/C=C/CC(=O)c1ccccc1I 1458a_100000187884_100102629194 [0,1,0,0,0,0|1,0,2]=4 1795 B13R1.674 C/C=C/CC(=O)c1ccccc1O 1458a_100015234032_100102629194 [0,1,0,0,0,0|1,0,2]=4 1796 B13R1.674 C/C=C/CC(=O)c1ccccc1[O-] 1458a_100009911694_100102629194 [0,1,0,0,0,0|1,0,2]=4 1797 B13R1.674 C=CCCC(=O)c1ccccc1Br 1458a_100000188424_100000754431 [0,1,0,0,0,0|1,0,2]=4 1798 B13R1.674 C=CCCC(=O)c1ccccc1C 1458a_100000212026_100000754431 [0,1,0,0,0,0|1,0,2]=4 1799 B13R1.674 C=CCCC(=O)c1ccccc1Cl 1458a_100000185844_100000754431 [0,1,0,0,0,0|1,0,2]=4 1800 B13R1.674 C=CCCC(=O)c1ccccc1F 1458a_100000188656_100000754431 [0,1,0,0,0,0|1,0,2]=4 1801 B13R1.674 C=CCCC(=O)c1ccccc1I 1458a_100000187884_100000754431 [0,1,0,0,0,0|1,0,2]=4 1802 B13R1.674 C=CCCC(=O)c1ccccc1O 1458a_100015234032_100000754431 [0,1,0,0,0,0|1,0,2]=4 1803 B13R1.674 C=CCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000754431 [0,1,0,0,0,0|1,0,2]=4 1804 B13R1.674 C=CCNC(=O)c1ccccc1Br 1626a_100020586998_100000188424 [0,1,0,0,0,0|1,0,2]=4 1805 B13R1.674 C=CCNC(=O)c1ccccc1Br 240690a_100020586998_100000188424 [0,1,0,0,0,0|1,0,2]=4 1806 B13R1.674 C=CCNC(=O)c1ccccc1Br 527a_100020586998_100000188424 [0,1,0,0,0,0|1,0,2]=4 1807 B13R1.674 C=CCNC(=O)c1ccccc1C 1626a_100020586998_100000212026 [0,1,0,0,0,0|1,0,2]=4 1808 B13R1.674 C=CCNC(=O)c1ccccc1C 240690a_100020586998_100000212026 [0,1,0,0,0,0|1,0,2]=4 1809 B13R1.674 C=CCNC(=O)c1ccccc1C 527a_100020586998_100000212026 [0,1,0,0,0,0|1,0,2]=4 1810 B13R1.674 C=CCNC(=O)c1ccccc1Cl 1626a_100020586998_100000185844 [0,1,0,0,0,0|1,0,2]=4 1811 B13R1.674 C=CCNC(=O)c1ccccc1Cl 240690a_100020586998_100000185844 [0,1,0,0,0,0|1,0,2]=4 1812 B13R1.674 C=CCNC(=O)c1ccccc1Cl 527a_100020586998_100000185844 [0,1,0,0,0,0|1,0,2]=4 1813 B13R1.674 C=CCNC(=O)c1ccccc1F 1626a_100020586998_100000188656 [0,1,0,0,0,0|1,0,2]=4 1814 B13R1.674 C=CCNC(=O)c1ccccc1F 240690a_100020586998_100000188656 [0,1,0,0,0,0|1,0,2]=4 1815 B13R1.674 C=CCNC(=O)c1ccccc1F 527a_100020586998_100000188656 [0,1,0,0,0,0|1,0,2]=4 1816 B13R1.674 C=CCNC(=O)c1ccccc1I 1626a_100020586998_100000187884 [0,1,0,0,0,0|1,0,2]=4 1817 B13R1.674 C=CCNC(=O)c1ccccc1I 240690a_100020586998_100000187884 [0,1,0,0,0,0|1,0,2]=4 1818 B13R1.674 C=CCNC(=O)c1ccccc1I 527a_100020586998_100000187884 [0,1,0,0,0,0|1,0,2]=4 1819 B13R1.674 C=CCNC(=O)c1ccccc1O 240690a_100020586998_100015234032 [0,1,0,0,0,0|1,0,2]=4 1820 B13R1.674 C=CCNC(=O)c1ccccc1[O-] 1626a_100020586998_100009911694 [0,1,0,0,0,0|1,0,2]=4 1821 B13R1.674 C=CCNC(=O)c1ccccc1[O-] 240690a_100020586998_100009911694 [0,1,0,0,0,0|1,0,2]=4 1822 B13R1.674 C=CCNC(=O)c1ccccc1[O-] 527a_100020586998_100009911694 [0,1,0,0,0,0|1,0,2]=4 1823 B13R1.674 CC#CCC(=O)c1ccccc1Br 1458a_100000188424_100000748600 [0,1,0,0,0,0|1,0,2]=4 1824 B13R1.674 CC#CCC(=O)c1ccccc1C 1458a_100000212026_100000748600 [0,1,0,0,0,0|1,0,2]=4 1825 B13R1.674 CC#CCC(=O)c1ccccc1Cl 1458a_100000185844_100000748600 [0,1,0,0,0,0|1,0,2]=4 1826 B13R1.674 CC#CCC(=O)c1ccccc1F 1458a_100000188656_100000748600 [0,1,0,0,0,0|1,0,2]=4 1827 B13R1.674 CC#CCC(=O)c1ccccc1I 1458a_100000187884_100000748600 [0,1,0,0,0,0|1,0,2]=4 1828 B13R1.674 CC#CCC(=O)c1ccccc1O 1458a_100015234032_100000748600 [0,1,0,0,0,0|1,0,2]=4 1829 B13R1.674 CC#CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000748600 [0,1,0,0,0,0|1,0,2]=4 1830 B13R1.674 CC(OCCBr)c1ccccc1F 34a_100000211926_200000741388 [0,1,0,0,0,0|2,0,1]=4 1831 B13R1.674 CC(OCCF)c1ccccc1Br 34a_100000702211_100011217306 [0,1,0,0,0,0|2,0,1]=4 1832 B13R1.674 CC(OCCF)c1ccccc1Br 7a_100000702211_100011217306 [0,1,0,0,0,0|2,0,1]=4 1833 B13R1.674 CC(OCCF)c1ccccc1Cl 34a_100000740796_100011217306 [0,1,0,0,0,0|2,0,1]=4 1834 B13R1.674 CC(OCCF)c1ccccc1Cl 7a_100000740796_100011217306 [0,1,0,0,0,0|2,0,1]=4 1835 B13R1.674 CC(OCCF)c1ccccc1F 34a_100000697922_100011217306 [0,1,0,0,0,0|2,0,1]=4 1836 B13R1.674 CC(OCCF)c1ccccc1F 7a_100000697922_100011217306 [0,1,0,0,0,0|2,0,1]=4 1837 B13R1.674 CC(OCCF)c1ccccc1N 7a_100011405641_100011217306 [0,1,0,0,0,0|2,0,1]=4 1838 B13R1.674 CC(OCCN)c1ccccc1F 34a_100000210304_200000741388 [0,1,0,0,0,0|2,0,1]=4 1839 B13R1.674 CC(OCCO)c1ccccc1Br 34a_100000702211_100000211926 [0,1,0,0,0,0|2,0,1]=4 1840 B13R1.674 CC(OCCO)c1ccccc1Br 7a_100000702211_100000211926 [0,1,0,0,0,0|2,0,1]=4 1841 B13R1.674 CC(OCCO)c1ccccc1Cl 34a_100000740796_100000211926 [0,1,0,0,0,0|2,0,1]=4 1842 B13R1.674 CC(OCCO)c1ccccc1Cl 7a_100000740796_100000211926 [0,1,0,0,0,0|2,0,1]=4 1843 B13R1.674 CC(OCCO)c1ccccc1F 34a_100000697922_100000211926 [0,1,0,0,0,0|2,0,1]=4 1844 B13R1.674 CC(OCCO)c1ccccc1F 7a_100000697922_100000211926 [0,1,0,0,0,0|2,0,1]=4 1845 B13R1.674 CC(OCCO)c1ccccc1N 7a_100011405641_100000211926 [0,1,0,0,0,0|2,0,1]=4 1846 B13R1.674 CC=CCC(=O)c1ccccc1Br 1458a_100000188424_100000070051 [0,1,0,0,0,0|1,0,2]=4 1847 B13R1.674 CC=CCC(=O)c1ccccc1C 1458a_100000212026_100000070051 [0,1,0,0,0,0|1,0,2]=4 1848 B13R1.674 CC=CCC(=O)c1ccccc1Cl 1458a_100000185844_100000070051 [0,1,0,0,0,0|1,0,2]=4 1849 B13R1.674 CC=CCC(=O)c1ccccc1F 1458a_100000188656_100000070051 [0,1,0,0,0,0|1,0,2]=4 1850 B13R1.674 CC=CCC(=O)c1ccccc1I 1458a_100000187884_100000070051 [0,1,0,0,0,0|1,0,2]=4 1851 B13R1.674 CC=CCC(=O)c1ccccc1O 1458a_100015234032_100000070051 [0,1,0,0,0,0|1,0,2]=4 1852 B13R1.674 CC=CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000070051 [0,1,0,0,0,0|1,0,2]=4 1853 B13R1.674 CC=NNC(=O)c1ccccc1Br 4a_100000183644_200000210099 [0,1,0,0,0,0|2,0,1]=4 1854 B13R1.674 CC=NNC(=O)c1ccccc1C 4a_100000181371_200000210099 [0,1,0,0,0,0|2,0,1]=4 1855 B13R1.674 CC=NNC(=O)c1ccccc1Cl 4a_100000186534_200000210099 [0,1,0,0,0,0|2,0,1]=4 1856 B13R1.674 CC=NNC(=O)c1ccccc1F 4a_100000183521_200000210099 [0,1,0,0,0,0|2,0,1]=4 1857 B13R1.674 CC=NNC(=O)c1ccccc1I 4a_100000190081_200000210099 [0,1,0,0,0,0|2,0,1]=4 1858 B13R1.674 CCCCC(=O)c1ccccc1Br 1458a_100000188424_100000210211 [0,1,0,0,0,0|1,0,0]=2 1859 B13R1.674 CCCCC(=O)c1ccccc1C 1458a_100000212026_100000210211 [0,1,0,0,0,0|1,0,0]=2 1860 B13R1.674 CCCCC(=O)c1ccccc1Cl 1458a_100000185844_100000210211 [0,1,0,0,0,0|1,0,0]=2 1861 B13R1.674 CCCCC(=O)c1ccccc1F 1458a_100000188656_100000210211 [0,1,0,0,0,0|1,0,0]=2 1862 B13R1.674 CCCCC(=O)c1ccccc1I 1458a_100000187884_100000210211 [0,1,0,0,0,0|1,0,0]=2 1863 B13R1.674 CCCCC(=O)c1ccccc1O 1458a_100015234032_100000210211 [0,1,0,0,0,0|1,0,0]=2 1864 B13R1.674 CCCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210211 [0,1,0,0,0,0|1,0,0]=2 1865 B13R1.674 CCCCN(C)c1ccccc1Br 2230a_100020606079_100000210211 [0,1,0,0,0,0|3,0,0]=4 1866 B13R1.674 CCCCN(C)c1ccccc1Br 269982a_100020606079_100000210211 [0,1,0,0,0,0|3,0,0]=4 1867 B13R1.674 CCCCN(C)c1ccccc1Br 34a_100020606079_100000210210 [0,1,0,0,0,0|3,0,0]=4 1868 B13R1.674 CCCCN(C)c1ccccc1C 2230a_100000219699_100000210211 [0,1,0,0,0,0|3,0,0]=4 1869 B13R1.674 CCCCN(C)c1ccccc1C 269982a_100000219699_100000210211 [0,1,0,0,0,0|3,0,0]=4 1870 B13R1.674 CCCCN(C)c1ccccc1C 34a_100000219699_100000210210 [0,1,0,0,0,0|3,0,0]=4 1871 B13R1.674 CCCCN(C)c1ccccc1Cl 2230a_100000219374_100000210211 [0,1,0,0,0,0|3,0,0]=4 1872 B13R1.674 CCCCN(C)c1ccccc1Cl 269982a_100000219374_100000210211 [0,1,0,0,0,0|3,0,0]=4 1873 B13R1.674 CCCCN(C)c1ccccc1Cl 34a_100000219374_100000210210 [0,1,0,0,0,0|3,0,0]=4 1874 B13R1.674 CCCCN(C)c1ccccc1F 2230a_100000220357_100000210211 [0,1,0,0,0,0|3,0,0]=4 1875 B13R1.674 CCCCN(C)c1ccccc1F 269982a_100000220357_100000210211 [0,1,0,0,0,0|3,0,0]=4 1876 B13R1.674 CCCCN(C)c1ccccc1F 34a_100000220357_100000210210 [0,1,0,0,0,0|3,0,0]=4 1877 B13R1.674 CCCCN(C)c1ccccc1F 38a_100000220357_100000210211 [0,1,0,0,0,0|3,0,0]=4 1878 B13R1.674 CCCCN(C)c1ccccc1O 269982a_100000033821_100000210211 [0,1,0,0,0,0|3,0,0]=4 1879 B13R1.674 CCCNC(=O)c1ccccc1Br 11a_100020643023_100000188424 [0,1,0,0,0,0|1,0,0]=2 1880 B13R1.674 CCCNC(=O)c1ccccc1Br 1626a_100020643023_100000188424 [0,1,0,0,0,0|1,0,0]=2 1881 B13R1.674 CCCNC(=O)c1ccccc1Br 240690a_100020643023_100000188424 [0,1,0,0,0,0|1,0,0]=2 1882 B13R1.674 CCCNC(=O)c1ccccc1Br 527a_100020643023_100000188424 [0,1,0,0,0,0|1,0,0]=2 1883 B13R1.674 CCCNC(=O)c1ccccc1C 11a_100020643023_100000212026 [0,1,0,0,0,0|1,0,0]=2 1884 B13R1.674 CCCNC(=O)c1ccccc1C 1626a_100020643023_100000212026 [0,1,0,0,0,0|1,0,0]=2 1885 B13R1.674 CCCNC(=O)c1ccccc1C 240690a_100020643023_100000212026 [0,1,0,0,0,0|1,0,0]=2 1886 B13R1.674 CCCNC(=O)c1ccccc1C 527a_100020643023_100000212026 [0,1,0,0,0,0|1,0,0]=2 1887 B13R1.674 CCCNC(=O)c1ccccc1Cl 11a_100020643023_100000185844 [0,1,0,0,0,0|1,0,0]=2 1888 B13R1.674 CCCNC(=O)c1ccccc1Cl 1626a_100020643023_100000185844 [0,1,0,0,0,0|1,0,0]=2 1889 B13R1.674 CCCNC(=O)c1ccccc1Cl 240690a_100020643023_100000185844 [0,1,0,0,0,0|1,0,0]=2 1890 B13R1.674 CCCNC(=O)c1ccccc1Cl 527a_100020643023_100000185844 [0,1,0,0,0,0|1,0,0]=2 1891 B13R1.674 CCCNC(=O)c1ccccc1F 11a_100020643023_100000188656 [0,1,0,0,0,0|1,0,0]=2 1892 B13R1.674 CCCNC(=O)c1ccccc1F 1626a_100020643023_100000188656 [0,1,0,0,0,0|1,0,0]=2 1893 B13R1.674 CCCNC(=O)c1ccccc1F 240690a_100020643023_100000188656 [0,1,0,0,0,0|1,0,0]=2 1894 B13R1.674 CCCNC(=O)c1ccccc1F 527a_100020643023_100000188656 [0,1,0,0,0,0|1,0,0]=2 1895 B13R1.674 CCCNC(=O)c1ccccc1I 11a_100020643023_100000187884 [0,1,0,0,0,0|1,0,0]=2 1896 B13R1.674 CCCNC(=O)c1ccccc1I 1626a_100020643023_100000187884 [0,1,0,0,0,0|1,0,0]=2 1897 B13R1.674 CCCNC(=O)c1ccccc1I 240690a_100020643023_100000187884 [0,1,0,0,0,0|1,0,0]=2 1898 B13R1.674 CCCNC(=O)c1ccccc1I 527a_100020643023_100000187884 [0,1,0,0,0,0|1,0,0]=2 1899 B13R1.674 CCCNC(=O)c1ccccc1O 240690a_100020643023_100015234032 [0,1,0,0,0,0|1,0,0]=2 1900 B13R1.674 CCCNC(=O)c1ccccc1O 271570a_203496583355_200000152266 [0,1,0,0,0,0|1,0,0]=2 1901 B13R1.674 CCCNC(=O)c1ccccc1[O-] 1626a_100020643023_100009911694 [0,1,0,0,0,0|1,0,0]=2 1902 B13R1.674 CCCNC(=O)c1ccccc1[O-] 240690a_100020643023_100009911694 [0,1,0,0,0,0|1,0,0]=2 1903 B13R1.674 CCCNC(=O)c1ccccc1[O-] 527a_100020643023_100009911694 [0,1,0,0,0,0|1,0,0]=2 1904 B13R1.674 CCCNC(=O)c1cccnc1O 271570a_203496583355_100000161721 [0,1,0,0,0,0|2,0,0]=3 1905 B13R1.674 CCCNC(C)c1ccccc1Br 2230a_100000181357_100000210303 [0,1,0,0,0,0|2,0,1]=4 1906 B13R1.674 CCCNC(C)c1ccccc1Br 269862a_100020643023_100000187085 [0,1,0,0,0,0|2,0,1]=4 1907 B13R1.674 CCCNC(C)c1ccccc1C 2230a_100000181355_100000210303 [0,1,0,0,0,0|2,0,1]=4 1908 B13R1.674 CCCNC(C)c1ccccc1C 269862a_100020643023_100000211656 [0,1,0,0,0,0|2,0,1]=4 1909 B13R1.674 CCCNC(C)c1ccccc1C 34a_100000181355_100000210303 [0,1,0,0,0,0|2,0,1]=4 1910 B13R1.674 CCCNC(C)c1ccccc1Cl 2230a_100000174978_100000210303 [0,1,0,0,0,0|2,0,1]=4 1911 B13R1.674 CCCNC(C)c1ccccc1Cl 269862a_100020643023_100000210134 [0,1,0,0,0,0|2,0,1]=4 1912 B13R1.674 CCCNC(C)c1ccccc1Cl 34a_100000174978_100000210303 [0,1,0,0,0,0|2,0,1]=4 1913 B13R1.674 CCCNC(C)c1ccccc1F 2230a_100000181408_100000210303 [0,1,0,0,0,0|2,0,1]=4 1914 B13R1.674 CCCNC(C)c1ccccc1F 269862a_100020643023_100000210632 [0,1,0,0,0,0|2,0,1]=4 1915 B13R1.674 CCCNC(C)c1ccccc1F 34a_100000181408_100000210303 [0,1,0,0,0,0|2,0,1]=4 1916 B13R1.674 CCCNC(C)c1ccccc1I 269862a_100020643023_100000751169 [0,1,0,0,0,0|2,0,1]=4 1917 B13R1.674 CCCNC(C)c1ccccc1O 271570a_203496583355_100000741022 [0,1,0,0,0,0|2,0,1]=4 1918 B13R1.674 CCCN[C@H](C)c1ccccc1O 2230a_100025703389_100000210303 [0,1,0,0,0,0|2,0,1]=4 1919 B13R1.674 CCCOC(C)c1ccccc1Br 34a_100000702211_100000210303 [0,1,0,0,0,0|1,0,1]=3 1920 B13R1.674 CCCOC(C)c1ccccc1Br 7a_100000702211_100000210303 [0,1,0,0,0,0|1,0,1]=3 1921 B13R1.674 CCCOC(C)c1ccccc1C 34a_100000742021_100000210303 [0,1,0,0,0,0|1,0,1]=3 1922 B13R1.674 CCCOC(C)c1ccccc1C 7a_100000742021_100000210303 [0,1,0,0,0,0|1,0,1]=3 1923 B13R1.674 CCCOC(C)c1ccccc1Cl 34a_100000740796_100000210303 [0,1,0,0,0,0|1,0,1]=3 1924 B13R1.674 CCCOC(C)c1ccccc1Cl 7a_100000740796_100000210303 [0,1,0,0,0,0|1,0,1]=3 1925 B13R1.674 CCCOC(C)c1ccccc1F 34a_100000210258_200000741388 [0,1,0,0,0,0|1,0,1]=3 1926 B13R1.674 CCCOC(C)c1ccccc1F 34a_100000697922_100000210303 [0,1,0,0,0,0|1,0,1]=3 1927 B13R1.674 CCCOC(C)c1ccccc1F 7a_100000697922_100000210303 [0,1,0,0,0,0|1,0,1]=3 1928 B13R1.674 CCCOC(C)c1ccccc1N 7a_100011405641_100000210303 [0,1,0,0,0,0|1,0,1]=3 1929 B13R1.674 CCCOC(C)c1cccnc1Cl 34a_100009865335_100000210303 [0,1,0,0,0,0|2,0,1]=4 1930 B13R1.674 CCCOC(C)c1cccnc1Cl 7a_100009865335_100000210303 [0,1,0,0,0,0|2,0,1]=4 1931 B13R1.674 CCCOC(C)c1ccncc1F 34a_100012180158_100000210303 [0,1,0,0,0,0|2,0,1]=4 1932 B13R1.674 CCCO[C@@H](C)c1ncccc1Br 7a_100013325542_100000210303 [0,1,0,0,0,0|2,0,1]=4 1933 B13R1.674 CCCSC(C)c1ccccc1Cl 62a_100000181259_100000210303 [0,1,0,0,0,0|1,1,1]=4 1934 B13R1.674 CCCSC(C)c1ccccc1Cl 62a_100000210303_100000181259 [0,1,0,0,0,0|1,1,1]=4 1935 B13R1.674 CCCSC(C)c1ccccc1F 62a_100000210303_200000741388 [0,1,0,0,0,0|1,1,1]=4 1936 B13R1.674 CCCSC(C)c1ccccc1F 62a_200000741388_100000210303 [0,1,0,0,0,0|1,1,1]=4 1937 B13R1.674 CCNCC(=O)c1ccccc1C 2230a_100015525214_100000741374 [0,1,0,0,0,0|2,0,0]=3 1938 B13R1.674 CCNN=C(C)c1ccccc1Br 4a_100000756455_100000187085 [0,1,0,0,0,0|3,0,0]=4 1939 B13R1.674 CCNN=C(C)c1ccccc1C 4a_100000756455_100000211656 [0,1,0,0,0,0|3,0,0]=4 1940 B13R1.674 CCNN=C(C)c1ccccc1Cl 4a_100000756455_100000210134 [0,1,0,0,0,0|3,0,0]=4 1941 B13R1.674 CCNN=C(C)c1ccccc1F 4a_100000756455_100000210632 [0,1,0,0,0,0|3,0,0]=4 1942 B13R1.674 CCNN=C(C)c1ccccc1I 4a_100000756455_100000751169 [0,1,0,0,0,0|3,0,0]=4 1943 B13R1.674 CCNN=C(C)c1ccccc1O 4a_100000756455_100000188907 [0,1,0,0,0,0|3,0,0]=4 1944 B13R1.674 CCNNC(=O)c1ccccc1Br 22a_100000756455_100000188424 [0,1,0,0,0,0|2,0,0]=3 1945 B13R1.674 CCNNC(=O)c1ccccc1C 22a_100000756455_100000212026 [0,1,0,0,0,0|2,0,0]=3 1946 B13R1.674 CCNNC(=O)c1ccccc1Cl 22a_100000756455_100000185844 [0,1,0,0,0,0|2,0,0]=3 1947 B13R1.674 CCNNC(=O)c1ccccc1F 22a_100000756455_100000188656 [0,1,0,0,0,0|2,0,0]=3 1948 B13R1.674 CCNNC(=O)c1ccccc1I 22a_100000756455_100000187884 [0,1,0,0,0,0|2,0,0]=3 1949 B13R1.674 CCNNC(=O)c1ccccc1O 22a_100000756455_100015234032 [0,1,0,0,0,0|2,0,0]=3 1950 B13R1.674 CCNNC(=O)c1ccccc1[O-] 22a_100000756455_100009911694 [0,1,0,0,0,0|2,0,0]=3 1951 B13R1.674 CCOCC(=O)c1ccccc1Br 34a_100121572206_100000199116 [0,1,0,0,0,0|2,0,0]=3 1952 B13R1.674 CCOCC(=O)c1ccccc1C 34a_100121572206_100000741374 [0,1,0,0,0,0|2,0,0]=3 1953 B13R1.674 CCOCC(=O)c1ccccc1Cl 34a_100121572206_100000211432 [0,1,0,0,0,0|2,0,0]=3 1954 B13R1.674 CCOCC(=O)c1ccccc1F 34a_100121572206_100000204681 [0,1,0,0,0,0|2,0,0]=3 1955 B13R1.674 CCSCC(=O)c1ccccc1Br 62a_100000199116_100000210202 [0,1,0,0,0,0|2,0,0]=3 1956 B13R1.674 CCSCC(=O)c1ccccc1C 62a_100000210202_100000741374 [0,1,0,0,0,0|2,0,0]=3 1957 B13R1.674 CCSCC(=O)c1ccccc1C 62a_100000741374_100000210202 [0,1,0,0,0,0|2,0,0]=3 1958 B13R1.674 CCSCC(=O)c1ccccc1Cl 62a_100000210202_100000211432 [0,1,0,0,0,0|2,0,0]=3 1959 B13R1.674 CCSCC(=O)c1ccccc1Cl 62a_100000211432_100000210202 [0,1,0,0,0,0|2,0,0]=3 1960 B13R1.674 CCSCC(=O)c1ccccc1F 62a_100000204681_100000210202 [0,1,0,0,0,0|2,0,0]=3 1961 B13R1.674 CCSCC(=O)c1ccccc1F 62a_100000210202_100000204681 [0,1,0,0,0,0|2,0,0]=3 1962 B13R1.674 CCSCC(=O)c1ccccc1O 62a_100000188908_100000210202 [0,1,0,0,0,0|2,0,0]=3 1963 B13R1.674 CCSCC(=O)c1ccccc1O 62a_100000210202_100000188908 [0,1,0,0,0,0|2,0,0]=3 1964 B13R1.674 CNCCC(=O)c1ccccc1F 2230a_106832991635_100000086012 [0,1,0,0,0,0|2,0,0]=3 1965 B13R1.674 CNCCC(=O)c1ccccc1F 7a_106832991635_100000086012 [0,1,0,0,0,0|2,0,0]=3 1966 B13R1.674 CNCCC(=O)c1ccccc1O 7a_106832991635_100009873196 [0,1,0,0,0,0|2,0,0]=3 1967 B13R1.674 COCCC(=O)c1ccccc1Br 1458a_100000188424_100000233755 [0,1,0,0,0,0|2,0,0]=3 1968 B13R1.674 COCCC(=O)c1ccccc1C 1458a_100000212026_100000233755 [0,1,0,0,0,0|2,0,0]=3 1969 B13R1.674 COCCC(=O)c1ccccc1Cl 1458a_100000185844_100000233755 [0,1,0,0,0,0|2,0,0]=3 1970 B13R1.674 COCCC(=O)c1ccccc1F 1458a_100000188656_100000233755 [0,1,0,0,0,0|2,0,0]=3 1971 B13R1.674 COCCC(=O)c1ccccc1I 1458a_100000187884_100000233755 [0,1,0,0,0,0|2,0,0]=3 1972 B13R1.674 COCCC(=O)c1ccccc1O 1458a_100015234032_100000233755 [0,1,0,0,0,0|2,0,0]=3 1973 B13R1.674 COCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000233755 [0,1,0,0,0,0|2,0,0]=3 1974 B13R1.674 CSCCC(=O)c1ccccc1Br 1458a_100000188424_100000751147 [0,1,0,0,0,0|2,0,0]=3 1975 B13R1.674 CSCCC(=O)c1ccccc1C 1458a_100000212026_100000751147 [0,1,0,0,0,0|2,0,0]=3 1976 B13R1.674 CSCCC(=O)c1ccccc1Cl 1458a_100000185844_100000751147 [0,1,0,0,0,0|2,0,0]=3 1977 B13R1.674 CSCCC(=O)c1ccccc1F 1458a_100000188656_100000751147 [0,1,0,0,0,0|2,0,0]=3 1978 B13R1.674 CSCCC(=O)c1ccccc1F 62a_100000086012_200000210301 [0,1,0,0,0,0|2,0,0]=3 1979 B13R1.674 CSCCC(=O)c1ccccc1F 62a_200000210301_100000086012 [0,1,0,0,0,0|2,0,0]=3 1980 B13R1.674 CSCCC(=O)c1ccccc1I 1458a_100000187884_100000751147 [0,1,0,0,0,0|2,0,0]=3 1981 B13R1.674 CSCCC(=O)c1ccccc1O 1458a_100015234032_100000751147 [0,1,0,0,0,0|2,0,0]=3 1982 B13R1.674 CSCCC(=O)c1ccccc1O 62a_200000210301_100009873196 [0,1,0,0,0,0|2,0,0]=3 1983 B13R1.674 CSCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000751147 [0,1,0,0,0,0|2,0,0]=3 1984 B13R1.674 CSCOC(C)c1ccccc1Br 34a_100000702211_100011218213 [0,1,0,0,0,0|2,0,1]=4 1985 B13R1.674 CSCOC(C)c1ccccc1C 34a_100000742021_100011218213 [0,1,0,0,0,0|2,0,1]=4 1986 B13R1.674 CSCOC(C)c1ccccc1Cl 34a_100000740796_100011218213 [0,1,0,0,0,0|2,0,1]=4 1987 B13R1.674 CSCOC(C)c1ccccc1F 34a_100000697922_100011218213 [0,1,0,0,0,0|2,0,1]=4 1988 B13R1.674 Cc1ccccc1C(=O)CCC#N 1458a_100000212026_100011215226 [0,1,0,0,0,0|2,0,1]=4 1989 B13R1.674 Cc1ccccc1C(=O)CCCF 1458a_100000212026_100011934791 [0,1,0,0,0,0|2,0,0]=3 1990 B13R1.674 Cc1ccccc1C(=O)CCCO 1458a_100000212026_100011215043 [0,1,0,0,0,0|2,0,0]=3 1991 B13R1.674 Cc1ccccc1C(=O)CSCF 62a_100000741374_100015361967 [0,1,0,0,0,0|3,0,0]=4 1992 B13R1.674 Cc1ccccc1C(=O)CSCF 62a_100015361967_100000741374 [0,1,0,0,0,0|3,0,0]=4 1993 B13R1.674 Cc1ccccc1C(=O)NCC#N 1626a_100000734998_100000212026 [0,1,0,0,0,0|2,0,1]=4 1994 B13R1.674 Cc1ccccc1C(=O)NCC#N 527a_100000734998_100000212026 [0,1,0,0,0,0|2,0,1]=4 1995 B13R1.674 Cc1ccccc1C(=O)NCCF 11a_100000724931_100000212026 [0,1,0,0,0,0|2,0,0]=3 1996 B13R1.674 Cc1ccccc1C(=O)NCCF 1626a_100000724931_100000212026 [0,1,0,0,0,0|2,0,0]=3 1997 B13R1.674 Cc1ccccc1C(=O)NCCF 240690a_100000724931_100000212026 [0,1,0,0,0,0|2,0,0]=3 1998 B13R1.674 Cc1ccccc1C(=O)NCCF 527a_100000724931_100000212026 [0,1,0,0,0,0|2,0,0]=3 1999 B13R1.674 Cc1ccccc1C(=O)NCCO 240690a_100000210304_100000212026 [0,1,0,0,0,0|2,0,0]=3 2000 B13R1.674 Cc1ccccc1C(=O)NCCO 527a_100000210304_100000212026 [0,1,0,0,0,0|2,0,0]=3 2001 B13R1.674 Cc1ccccc1C(C)OCCF 34a_100000742021_100011217306 [0,1,0,0,0,0|2,0,1]=4 2002 B13R1.674 Cc1ccccc1C(C)OCCF 7a_100000742021_100011217306 [0,1,0,0,0,0|2,0,1]=4 2003 B13R1.674 Cc1ccccc1C(C)OCCO 34a_100000742021_100000211926 [0,1,0,0,0,0|2,0,1]=4 2004 B13R1.674 Cc1ccccc1C(C)OCCO 7a_100000742021_100000211926 [0,1,0,0,0,0|2,0,1]=4 2005 B13R1.674 N#CCCC(=O)c1ccccc1Br 1458a_100000188424_100011215226 [0,1,0,0,0,0|2,0,1]=4 2006 B13R1.674 N#CCCC(=O)c1ccccc1Cl 1458a_100000185844_100011215226 [0,1,0,0,0,0|2,0,1]=4 2007 B13R1.674 N#CCCC(=O)c1ccccc1F 1458a_100000188656_100011215226 [0,1,0,0,0,0|2,0,1]=4 2008 B13R1.674 N#CCCC(=O)c1ccccc1I 1458a_100000187884_100011215226 [0,1,0,0,0,0|2,0,1]=4 2009 B13R1.674 N#CCCC(=O)c1ccccc1O 1458a_100015234032_100011215226 [0,1,0,0,0,0|2,0,1]=4 2010 B13R1.674 N#CCCC(=O)c1ccccc1[O-] 1458a_100009911694_100011215226 [0,1,0,0,0,0|2,0,1]=4 2011 B13R1.674 N#CCNC(=O)c1ccccc1Br 1626a_100000734998_100000188424 [0,1,0,0,0,0|2,0,1]=4 2012 B13R1.674 N#CCNC(=O)c1ccccc1Br 527a_100000734998_100000188424 [0,1,0,0,0,0|2,0,1]=4 2013 B13R1.674 N#CCNC(=O)c1ccccc1Cl 1626a_100000734998_100000185844 [0,1,0,0,0,0|2,0,1]=4 2014 B13R1.674 N#CCNC(=O)c1ccccc1Cl 527a_100000734998_100000185844 [0,1,0,0,0,0|2,0,1]=4 2015 B13R1.674 N#CCNC(=O)c1ccccc1F 1626a_100000734998_100000188656 [0,1,0,0,0,0|2,0,1]=4 2016 B13R1.674 N#CCNC(=O)c1ccccc1F 527a_100000734998_100000188656 [0,1,0,0,0,0|2,0,1]=4 2017 B13R1.674 N#CCNC(=O)c1ccccc1I 1626a_100000734998_100000187884 [0,1,0,0,0,0|2,0,1]=4 2018 B13R1.674 N#CCNC(=O)c1ccccc1I 527a_100000734998_100000187884 [0,1,0,0,0,0|2,0,1]=4 2019 B13R1.674 N#CCNC(=O)c1ccccc1[O-] 1626a_100000734998_100009911694 [0,1,0,0,0,0|2,0,1]=4 2020 B13R1.674 N#CCNC(=O)c1ccccc1[O-] 527a_100000734998_100009911694 [0,1,0,0,0,0|2,0,1]=4 2021 B13R1.674 O=C(CCCF)c1ccccc1Br 1458a_100000188424_100011934791 [0,1,0,0,0,0|2,0,0]=3 2022 B13R1.674 O=C(CCCF)c1ccccc1Cl 1458a_100000185844_100011934791 [0,1,0,0,0,0|2,0,0]=3 2023 B13R1.674 O=C(CCCF)c1ccccc1F 1458a_100000188656_100011934791 [0,1,0,0,0,0|2,0,0]=3 2024 B13R1.674 O=C(CCCF)c1ccccc1I 1458a_100000187884_100011934791 [0,1,0,0,0,0|2,0,0]=3 2025 B13R1.674 O=C(CCCF)c1ccccc1O 1458a_100015234032_100011934791 [0,1,0,0,0,0|2,0,0]=3 2026 B13R1.674 O=C(CCCF)c1ccccc1[O-] 1458a_100009911694_100011934791 [0,1,0,0,0,0|2,0,0]=3 2027 B13R1.674 O=C(CCCO)c1ccccc1Br 1458a_100000188424_100011215043 [0,1,0,0,0,0|2,0,0]=3 2028 B13R1.674 O=C(CCCO)c1ccccc1Cl 1458a_100000185844_100011215043 [0,1,0,0,0,0|2,0,0]=3 2029 B13R1.674 O=C(CCCO)c1ccccc1F 1458a_100000188656_100011215043 [0,1,0,0,0,0|2,0,0]=3 2030 B13R1.674 O=C(CCCO)c1ccccc1I 1458a_100000187884_100011215043 [0,1,0,0,0,0|2,0,0]=3 2031 B13R1.674 O=C(CCCO)c1ccccc1O 1458a_100015234032_100011215043 [0,1,0,0,0,0|2,0,0]=3 2032 B13R1.674 O=C(CCCO)c1ccccc1[O-] 1458a_100009911694_100011215043 [0,1,0,0,0,0|2,0,0]=3 2033 B13R1.674 O=C(CSCF)c1ccccc1Br 62a_100000199116_100015361967 [0,1,0,0,0,0|3,0,0]=4 2034 B13R1.674 O=C(CSCF)c1ccccc1Cl 62a_100000211432_100015361967 [0,1,0,0,0,0|3,0,0]=4 2035 B13R1.674 O=C(CSCF)c1ccccc1Cl 62a_100015361967_100000211432 [0,1,0,0,0,0|3,0,0]=4 2036 B13R1.674 O=C(CSCF)c1ccccc1F 62a_100000204681_100015361967 [0,1,0,0,0,0|3,0,0]=4 2037 B13R1.674 O=C(CSCF)c1ccccc1F 62a_100015361967_100000204681 [0,1,0,0,0,0|3,0,0]=4 2038 B13R1.674 O=C(CSCF)c1ccccc1O 62a_100000188908_100015361967 [0,1,0,0,0,0|3,0,0]=4 2039 B13R1.674 O=C(CSCF)c1ccccc1O 62a_100015361967_100000188908 [0,1,0,0,0,0|3,0,0]=4 2040 B13R1.674 O=C(NCCF)c1ccccc1Br 11a_100000724931_100000188424 [0,1,0,0,0,0|2,0,0]=3 2041 B13R1.674 O=C(NCCF)c1ccccc1Br 1626a_100000724931_100000188424 [0,1,0,0,0,0|2,0,0]=3 2042 B13R1.674 O=C(NCCF)c1ccccc1Br 240690a_100000724931_100000188424 [0,1,0,0,0,0|2,0,0]=3 2043 B13R1.674 O=C(NCCF)c1ccccc1Br 527a_100000724931_100000188424 [0,1,0,0,0,0|2,0,0]=3 2044 B13R1.674 O=C(NCCF)c1ccccc1Cl 11a_100000724931_100000185844 [0,1,0,0,0,0|2,0,0]=3 2045 B13R1.674 O=C(NCCF)c1ccccc1Cl 1626a_100000724931_100000185844 [0,1,0,0,0,0|2,0,0]=3 2046 B13R1.674 O=C(NCCF)c1ccccc1Cl 240690a_100000724931_100000185844 [0,1,0,0,0,0|2,0,0]=3 2047 B13R1.674 O=C(NCCF)c1ccccc1Cl 527a_100000724931_100000185844 [0,1,0,0,0,0|2,0,0]=3 2048 B13R1.674 O=C(NCCF)c1ccccc1F 11a_100000724931_100000188656 [0,1,0,0,0,0|2,0,0]=3 2049 B13R1.674 O=C(NCCF)c1ccccc1F 1626a_100000724931_100000188656 [0,1,0,0,0,0|2,0,0]=3 2050 B13R1.674 O=C(NCCF)c1ccccc1F 240690a_100000724931_100000188656 [0,1,0,0,0,0|2,0,0]=3 2051 B13R1.674 O=C(NCCF)c1ccccc1F 527a_100000724931_100000188656 [0,1,0,0,0,0|2,0,0]=3 2052 B13R1.674 O=C(NCCF)c1ccccc1I 11a_100000724931_100000187884 [0,1,0,0,0,0|2,0,0]=3 2053 B13R1.674 O=C(NCCF)c1ccccc1I 1626a_100000724931_100000187884 [0,1,0,0,0,0|2,0,0]=3 2054 B13R1.674 O=C(NCCF)c1ccccc1I 240690a_100000724931_100000187884 [0,1,0,0,0,0|2,0,0]=3 2055 B13R1.674 O=C(NCCF)c1ccccc1I 527a_100000724931_100000187884 [0,1,0,0,0,0|2,0,0]=3 2056 B13R1.674 O=C(NCCF)c1ccccc1O 240690a_100000724931_100015234032 [0,1,0,0,0,0|2,0,0]=3 2057 B13R1.674 O=C(NCCF)c1ccccc1[O-] 1626a_100000724931_100009911694 [0,1,0,0,0,0|2,0,0]=3 2058 B13R1.674 O=C(NCCF)c1ccccc1[O-] 240690a_100000724931_100009911694 [0,1,0,0,0,0|2,0,0]=3 2059 B13R1.674 O=C(NCCF)c1ccccc1[O-] 527a_100000724931_100009911694 [0,1,0,0,0,0|2,0,0]=3 2060 B13R1.674 O=C(NCCO)c1ccccc1Br 240690a_100000210304_100000188424 [0,1,0,0,0,0|2,0,0]=3 2061 B13R1.674 O=C(NCCO)c1ccccc1Br 527a_100000210304_100000188424 [0,1,0,0,0,0|2,0,0]=3 2062 B13R1.674 O=C(NCCO)c1ccccc1Cl 240690a_100000210304_100000185844 [0,1,0,0,0,0|2,0,0]=3 2063 B13R1.674 O=C(NCCO)c1ccccc1Cl 527a_100000210304_100000185844 [0,1,0,0,0,0|2,0,0]=3 2064 B13R1.674 O=C(NCCO)c1ccccc1F 240690a_100000210304_100000188656 [0,1,0,0,0,0|2,0,0]=3 2065 B13R1.674 O=C(NCCO)c1ccccc1F 527a_100000210304_100000188656 [0,1,0,0,0,0|2,0,0]=3 2066 B13R1.674 O=C(NCCO)c1ccccc1I 240690a_100000210304_100000187884 [0,1,0,0,0,0|2,0,0]=3 2067 B13R1.674 O=C(NCCO)c1ccccc1I 527a_100000210304_100000187884 [0,1,0,0,0,0|2,0,0]=3 2068 B13R1.674 O=C(NCCO)c1ccccc1O 240690a_100000210304_100015234032 [0,1,0,0,0,0|2,0,0]=3 2069 B13R1.674 O=C(NCCO)c1ccccc1O 271570a_203496583355_200000158863 [0,1,0,0,0,0|2,0,0]=3 2070 B13R1.674 O=C(NCCO)c1ccccc1[O-] 240690a_100000210304_100009911694 [0,1,0,0,0,0|2,0,0]=3 2071 B13R1.674 O=C(NCCO)c1ccccc1[O-] 527a_100000210304_100009911694 [0,1,0,0,0,0|2,0,0]=3 2072 B13R1.674 [13CH3]SCCC(=O)c1ccccc1F 62a_100000086012_200025704644 [0,1,0,0,0,0|2,0,0]=3 2073 B13R1.674 [13CH3]SCCC(=O)c1ccccc1F 62a_200025704644_100000086012 [0,1,0,0,0,0|2,0,0]=3 2074 B13R1.674 [13CH3]SCCC(=O)c1ccccc1O 62a_200025704644_100009873196 [0,1,0,0,0,0|2,0,0]=3 2075 B13R2.3 C1=C(CCCC1)c2ccccc2 271570a_100000062251_100000210277 [0,0,0,1,0,0|2,0,0]=3 2076 B13R2.3 C1=C(CCCC1)c2ccccn2 271570a_100000062251_100011216584 [0,0,0,1,0,0|3,0,0]=4 2077 B13R2.3 C1=C(CCCC1)c2cccnc2 271570a_100000062251_100000752921 [0,0,0,1,0,0|3,0,0]=4 2078 B13R2.3 C1=C(CCCC1)c2ccncc2 271570a_100000062251_100000035832 [0,0,0,1,0,0|3,0,0]=4 2079 B13R2.3 C1=C(CCCO1)c2ccccc2 271570a_100010175576_100000210277 [0,0,0,1,0,0|3,0,0]=4 2080 B13R2.3 C1=C(CCNC1)c2ccccc2 271570a_100000731432_100000210277 [0,0,0,1,0,0|3,0,0]=4 2081 B13R2.3 C1=C(CCOC1)c2ccccc2 271570a_100000070234_100000210277 [0,0,0,1,0,0|3,0,0]=4 2082 B13R2.3 C1=C(CCSC1)c2ccccc2 271570a_100010232141_100000210277 [0,0,0,1,0,0|3,0,0]=4 2083 B13R2.3 C1=C(OCCC1)c2ccccc2 271570a_100010177797_100000210277 [0,0,0,1,0,0|1,0,0]=2 2084 B13R2.3 C1=C(OCCC1)c2ccccn2 271570a_100010177797_100011216584 [0,0,0,1,0,0|2,0,0]=3 2085 B13R2.3 C1=C(OCCC1)c2cccnc2 271570a_100010177797_100000752921 [0,0,0,1,0,0|2,0,0]=3 2086 B13R2.3 C1=C(OCCC1)c2cccnn2 271570a_100010177797_100016991348 [0,0,0,1,0,0|3,0,0]=4 2087 B13R2.3 C1=C(OCCC1)c2ccncc2 271570a_100010177797_100000035832 [0,0,0,1,0,0|2,0,0]=3 2088 B13R2.3 C1=C(OCCC1)c2ccncn2 271570a_100010177797_100000703185 [0,0,0,1,0,0|3,0,0]=4 2089 B13R2.3 C1=C(OCCC1)c2ccnnc2 271570a_100010177797_100000732662 [0,0,0,1,0,0|3,0,0]=4 2090 B13R2.3 C1=C(OCCC1)c2cnccn2 271570a_100010177797_100000758340 [0,0,0,1,0,0|3,0,0]=4 2091 B13R2.3 C1=C(OCCC1)c2cncnc2 271570a_100010177797_100011206942 [0,0,0,1,0,0|3,0,0]=4 2092 B13R2.3 C1=C(OCCC1)c2ncccn2 271570a_100010177797_100000211032 [0,0,0,1,0,0|3,0,0]=4 2093 B13R2.10 Cc1noc(n1)c2ccccc2 270196a_100000212224_100000185807 [0,0,0,1,0,0|2,0,1]=4 2094 B13R2.690 CC(NC1CC1)c2ccccc2 34a_100000212008_100000211855 [0,0,0,1,0,0|2,0,1]=4 2095 B13R2.690 CC(SC1CC1)c2ccccc2 62a_100000230085_100000211595 [0,0,0,1,0,0|1,1,1]=4 2096 B13R2.690 CN(CC1CC1)c2ccccc2 2230a_100000210012_100000742324 [0,0,0,1,0,0|3,0,0]=4 2097 B13R2.690 CN(CC1CC1)c2ccccc2 269982a_100000210012_100000756562 [0,0,0,1,0,0|3,0,0]=4 2098 B13R2.690 CN(CC1CC1)c2ccccc2 34a_100000210012_100000742324 [0,0,0,1,0,0|3,0,0]=4 2099 B13R2.690 C[C@@H](OC1CC1)c2ccccc2 34a_100000761318_100000211595 [0,0,0,1,0,0|1,0,1]=3 2100 B13R2.690 O=C(CC1CC1)c2ccccc2 1458a_100000185807_100000742324 [0,0,0,1,0,0|1,0,0]=2 2101 B13R2.690 O=C(CC1CO1)c2ccccc2 1458a_100000185807_100011216344 [0,0,0,1,0,0|2,0,0]=3 2102 B13R2.690 O=C(CC1CS1)c2ccccc2 1458a_100000185807_100000031435 [0,0,0,1,0,0|2,0,0]=3 2103 B13R2.690 O=C(C[C@@H]1CO1)c2ccccc2 1458a_100000185807_100000745022 [0,0,0,1,0,0|2,0,0]=3 2104 B13R2.690 O=C(NC1CC1)c2ccccc2 1626a_100000212008_100000185807 [0,0,0,1,0,0|1,0,0]=2 2105 B13R2.690 O=C(NC1CC1)c2ccccc2 240690a_100000212008_100000185807 [0,0,0,1,0,0|1,0,0]=2 2106 B13R2.690 O=C(NC1CC1)c2ccccc2 527a_100000212008_100000185807 [0,0,0,1,0,0|1,0,0]=2 2107 B13R2.1028 CCCSC1Cc2c1cccc2 62a_100000210303_100009813401 [0,0,0,1,0,0|1,1,1]=4 2108 B13R2.1028 CCCSC1Cc2c1cccc2 62a_100009813401_100000210303 [0,0,0,1,0,0|1,1,1]=4 2109 B13R2.1028 CCNN=C1Cc2c1cccc2 4a_100000756455_100000051409 [0,0,0,1,0,0|3,0,0]=4 2110 B13R2.2931 CCn1nc(c2c1cccc2)O 271570a_203496583355_200010288290 [0,0,0,1,0,0|2,0,1]=4 2111 B13R2.2931 CNC1CC(=O)c2c1cccc2 2230a_106832991635_100010208147 [0,0,0,1,0,0|2,0,0]=3 2112 B13R2.2931 CNC1CC(=O)c2c1cccc2 7a_106832991635_100010208147 [0,0,0,1,0,0|2,0,0]=3 2113 B13R2.2931 CNC1OC(=O)c2c1cccc2 2230a_106832991635_100009813457 [0,0,0,1,0,0|1,0,0]=2 2114 B13R2.2931 CSC1CC(=O)c2c1cccc2 62a_100010208147_200000210301 [0,0,0,1,0,0|2,0,0]=3 2115 B13R2.2931 CSC1CC(=O)c2c1cccc2 62a_200000210301_100010208147 [0,0,0,1,0,0|2,0,0]=3 2116 B13R2.2931 CSC1OC(=O)c2c1cccc2 62a_200000210301_100009813457 [0,0,0,1,0,0|1,0,0]=2 2117 B13R2.2931 [13CH3]SC1CC(=O)c2c1cccc2 62a_100010208147_200025704644 [0,0,0,1,0,0|2,0,0]=3 2118 B13R2.2931 [13CH3]SC1CC(=O)c2c1cccc2 62a_200025704644_100010208147 [0,0,0,1,0,0|2,0,0]=3 2119 B13R2.2931 [13CH3]SC1OC(=O)c2c1cccc2 62a_200025704644_100009813457 [0,0,0,1,0,0|1,0,0]=2 2120 B13R2.8137 CC(c1ccccc1)N2CCC2 269982a_100000754969_100000230085 [0,0,0,1,0,0|2,0,1]=4 2121 B13R2.8137 CN(c1ccccc1)C2CCC2 269982a_100000210012_100000749161 [0,0,0,1,0,0|3,0,0]=4 2122 B13R2.8137 CN(c1ccccc1)C2CCC2 34a_100000210012_100000749161 [0,0,0,1,0,0|3,0,0]=4 2123 B13R2.8137 O=C(c1ccccc1)C2CCC2 1458a_100000185807_100000749161 [0,0,0,1,0,0|1,0,0]=2 2124 B13R2.8137 O=C(c1ccccc1)C2COC2 1458a_100000185807_100000687716 [0,0,0,1,0,0|2,0,0]=3 2125 B13R2.8137 O=C(c1ccccc1)N2CCC2 11a_100000754969_100000185807 [0,0,0,1,0,0|1,0,0]=2 2126 B13R2.8137 O=C(c1ccccc1)N2CCC2 240690a_100000754969_100000185807 [0,0,0,1,0,0|1,0,0]=2 2127 B13R2.8137 O=C(c1ccccc1)N2CCC2 527a_100000754969_100000185807 [0,0,0,1,0,0|1,0,0]=2 2128 B11R1.29 CCCOC(C)c1ccsc1 34a_100011350980_100000210303 [0,0,0,0,1,0|2,0,1]=4 2129 B11R1.29 CCCOC(C)c1ccsc1 7a_100011350980_100000210303 [0,0,0,0,1,0|2,0,1]=4 2130 B11R1.29 CCCO[C@@H](C)c1ccco1 34a_100000755270_100000210303 [0,0,0,0,1,0|2,0,1]=4 2131 B11R1.29 CCCO[C@@H](C)c1ccco1 7a_100000755270_100000210303 [0,0,0,0,1,0|2,0,1]=4 2132 B11R1.29 CCCO[C@H](C)c1cccs1 7a_100000750433_100000210303 [0,0,0,0,1,0|2,0,1]=4 2133 B11R1.29 CCNCC(=O)c1cccs1 2230a_100015525214_100000211436 [0,0,0,0,1,0|3,0,0]=4 2134 B11R1.29 CCNCC(=O)c1ccsc1 2230a_100015525214_100011219462 [0,0,0,0,1,0|3,0,0]=4 2135 B11R1.29 CCOCC(=O)c1ccsc1 34a_100121572206_100011219462 [0,0,0,0,1,0|3,0,0]=4 2136 B11R1.29 CCSCC(=O)c1ccc[nH]1 62a_100000210202_200011262396 [0,0,0,0,1,0|3,0,0]=4 2137 B11R1.29 CCSCC(=O)c1ccc[nH]1 62a_200011262396_100000210202 [0,0,0,0,1,0|3,0,0]=4 2138 B11R1.29 CCSCC(=O)c1ccco1 62a_100000210202_100000211439 [0,0,0,0,1,0|3,0,0]=4 2139 B11R1.29 CCSCC(=O)c1ccco1 62a_100000211439_100000210202 [0,0,0,0,1,0|3,0,0]=4 2140 B11R1.29 CCSCC(=O)c1cccs1 62a_100000210202_100000211436 [0,0,0,0,1,0|3,0,0]=4 2141 B11R1.29 CCSCC(=O)c1cccs1 62a_100000211436_100000210202 [0,0,0,0,1,0|3,0,0]=4 2142 B11R1.29 CCSCC(=O)c1ccsc1 62a_100000210202_100011219462 [0,0,0,0,1,0|3,0,0]=4 2143 B11R1.29 CCSCC(=O)c1ccsc1 62a_100011219462_100000210202 [0,0,0,0,1,0|3,0,0]=4 2144 B11R1.29 CNCCC(=O)c1cccs1 2230a_106832991635_100011290775 [0,0,0,0,1,0|3,0,0]=4 2145 B11R1.29 CNCCC(=O)c1cccs1 7a_106832991635_100011290775 [0,0,0,0,1,0|3,0,0]=4 2146 B11R1.29 CSCCC(=O)c1cccs1 62a_100011290775_200000210301 [0,0,0,0,1,0|3,0,0]=4 2147 B11R1.29 CSCCC(=O)c1cccs1 62a_200000210301_100011290775 [0,0,0,0,1,0|3,0,0]=4 2148 B11R1.29 [13CH3]SCCC(=O)c1cccs1 62a_100011290775_200025704644 [0,0,0,0,1,0|3,0,0]=4 2149 B11R1.29 [13CH3]SCCC(=O)c1cccs1 62a_200025704644_100011290775 [0,0,0,0,1,0|3,0,0]=4 2150 B13R1.44 C#CCCC(=O)Cc1ccccc1 1458a_100000692101_100015291786 [0,0,0,0,0,1|1,0,2]=4 2151 B13R1.44 C#CCCC(=O)Nc1ccccc1 11a_100000106764_100000692101 [0,0,0,0,0,1|1,0,2]=4 2152 B13R1.44 C#CCCC(=O)Nc1ccccc1 1626a_100000106764_100000692101 [0,0,0,0,0,1|1,0,2]=4 2153 B13R1.44 C#CCCC(=O)Nc1ccccc1 22a_100000106764_100000692101 [0,0,0,0,0,1|1,0,2]=4 2154 B13R1.44 C#CCCC(=O)Nc1ccccc1 527a_100000106764_100000692101 [0,0,0,0,0,1|1,0,2]=4 2155 B13R1.44 C#CCNC(=O)Nc1ccccc1 2430a_100000106764_100000212058 [0,0,0,0,0,1|1,0,2]=4 2156 B13R1.44 C=CCCC(=O)Cc1ccccc1 1458a_100000749702_100015291786 [0,0,0,0,0,1|1,0,2]=4 2157 B13R1.44 C=CCCC(=O)Nc1ccccc1 11a_100000106764_100000749702 [0,0,0,0,0,1|1,0,2]=4 2158 B13R1.44 C=CCCC(=O)Nc1ccccc1 1626a_100000106764_100000749702 [0,0,0,0,0,1|1,0,2]=4 2159 B13R1.44 C=CCCC(=O)Nc1ccccc1 22a_100000106764_100000749702 [0,0,0,0,0,1|1,0,2]=4 2160 B13R1.44 C=CCCC(=O)Nc1ccccc1 527a_100000106764_100000749702 [0,0,0,0,0,1|1,0,2]=4 2161 B13R1.44 C=CCNC(=O)Nc1ccccc1 2430a_100000106764_100020586998 [0,0,0,0,0,1|1,0,2]=4 2162 B13R1.44 CC(Cc1ccccc1)OCCBr 34a_100000211926_200011218536 [0,0,0,0,0,1|2,0,1]=4 2163 B13R1.44 CC(Cc1ccccc1)OCCF 34a_100000748627_100011217306 [0,0,0,0,0,1|2,0,1]=4 2164 B13R1.44 CC(Cc1ccccc1)OCCF 7a_100000748627_100011217306 [0,0,0,0,0,1|2,0,1]=4 2165 B13R1.44 CC(Cc1ccccc1)OCCN 34a_100000210304_200011218536 [0,0,0,0,0,1|2,0,1]=4 2166 B13R1.44 CC(Cc1ccccc1)OCCO 34a_100000748627_100000211926 [0,0,0,0,0,1|2,0,1]=4 2167 B13R1.44 CC(Cc1ccccc1)OCCO 7a_100000748627_100000211926 [0,0,0,0,0,1|2,0,1]=4 2168 B13R1.44 CC=CCC(=O)Cc1ccccc1 1458a_100121576822_100015291786 [0,0,0,0,0,1|1,0,2]=4 2169 B13R1.44 CC=CCC(=O)Nc1ccccc1 11a_100000106764_100121576822 [0,0,0,0,0,1|1,0,2]=4 2170 B13R1.44 CC=CCC(=O)Nc1ccccc1 1626a_100000106764_100121576822 [0,0,0,0,0,1|1,0,2]=4 2171 B13R1.44 CC=CCC(=O)Nc1ccccc1 22a_100000106764_100121576822 [0,0,0,0,0,1|1,0,2]=4 2172 B13R1.44 CC=CCC(=O)Nc1ccccc1 527a_100000106764_100121576822 [0,0,0,0,0,1|1,0,2]=4 2173 B13R1.44 CC=NNC(=O)Cc1ccccc1 4a_100000182964_200000210099 [0,0,0,0,0,1|2,0,1]=4 2174 B13R1.44 CCC#CC(=O)Cc1ccccc1 1458a_100011827653_100015291786 [0,0,0,0,0,1|1,0,1]=3 2175 B13R1.44 CCC#CC(=O)Cc1ccccn1 1458a_100011827653_100000721315 [0,0,0,0,0,1|2,0,1]=4 2176 B13R1.44 CCC#CC(=O)Cc1cccnc1 1458a_100011827653_100000733263 [0,0,0,0,0,1|2,0,1]=4 2177 B13R1.44 CCC#CC(=O)Cc1ccncc1 1458a_100011827653_100000705612 [0,0,0,0,0,1|2,0,1]=4 2178 B13R1.44 CCC#CC(=O)Nc1ccccc1 22a_100000106764_100011827653 [0,0,0,0,0,1|1,0,1]=3 2179 B13R1.44 CCC=CC(=O)Cc1ccccc1 1458a_100000212282_100015291786 [0,0,0,0,0,1|1,0,1]=3 2180 B13R1.44 CCC=CC(=O)Cc1ccccn1 1458a_100000212282_100000721315 [0,0,0,0,0,1|2,0,1]=4 2181 B13R1.44 CCC=CC(=O)Cc1cccnc1 1458a_100000212282_100000733263 [0,0,0,0,0,1|2,0,1]=4 2182 B13R1.44 CCC=CC(=O)Cc1ccncc1 1458a_100000212282_100000705612 [0,0,0,0,0,1|2,0,1]=4 2183 B13R1.44 CCC=CC(=O)Nc1ccccc1 11a_100000106764_100000212282 [0,0,0,0,0,1|1,0,1]=3 2184 B13R1.44 CCC=CC(=O)Nc1ccccc1 1626a_100000106764_100000212282 [0,0,0,0,0,1|1,0,1]=3 2185 B13R1.44 CCC=CC(=O)Nc1ccccc1 22a_100000106764_100000212282 [0,0,0,0,0,1|1,0,1]=3 2186 B13R1.44 CCCCC(=Cc1ccccc1)Br 271570a_206741709834_100000210277 [0,0,0,0,0,1|2,0,0]=3 2187 B13R1.44 CCCCC(=Cc1ccccn1)Br 271570a_206741709834_100011216584 [0,0,0,0,0,1|3,0,0]=4 2188 B13R1.44 CCCCC(=Cc1cccnc1)Br 271570a_206741709834_100000752921 [0,0,0,0,0,1|3,0,0]=4 2189 B13R1.44 CCCCC(=Cc1ccncc1)Br 271570a_206741709834_100000035832 [0,0,0,0,0,1|3,0,0]=4 2190 B13R1.44 CCCCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210211 [0,0,0,0,0,1|2,0,0]=3 2191 B13R1.44 CCCCC(=O)Cc1ccccc1 1458a_100000210183_100015291786 [0,0,0,0,0,1|1,0,0]=2 2192 B13R1.44 CCCCC(=O)Cc1ccccn1 1458a_100000210183_100000721315 [0,0,0,0,0,1|2,0,0]=3 2193 B13R1.44 CCCCC(=O)Cc1ccccn1 1458a_100000233486_100000210211 [0,0,0,0,0,1|2,0,0]=3 2194 B13R1.44 CCCCC(=O)Cc1cccnc1 1458a_100000210183_100000733263 [0,0,0,0,0,1|2,0,0]=3 2195 B13R1.44 CCCCC(=O)Cc1cccnc1 1458a_100000737805_100000210211 [0,0,0,0,0,1|2,0,0]=3 2196 B13R1.44 CCCCC(=O)Cc1cccnn1 1458a_100000210183_100016990269 [0,0,0,0,0,1|3,0,0]=4 2197 B13R1.44 CCCCC(=O)Cc1ccncc1 1458a_100000210183_100000705612 [0,0,0,0,0,1|2,0,0]=3 2198 B13R1.44 CCCCC(=O)Cc1cnccn1 1458a_100000210183_100016995436 [0,0,0,0,0,1|3,0,0]=4 2199 B13R1.44 CCCCC(=O)Cc1cncnc1 1458a_100000210183_100015196519 [0,0,0,0,0,1|3,0,0]=4 2200 B13R1.44 CCCCC(=O)Cc1cncnc1 1458a_100000721575_100000210211 [0,0,0,0,0,1|3,0,0]=4 2201 B13R1.44 CCCCC(=O)Cc1ncccn1 1458a_100000210183_100000703007 [0,0,0,0,0,1|3,0,0]=4 2202 B13R1.44 CCCCC(=O)Nc1ccccc1 11a_100000106764_100000210183 [0,0,0,0,0,1|1,0,0]=2 2203 B13R1.44 CCCCC(=O)Nc1ccccc1 1626a_100000106764_100000210183 [0,0,0,0,0,1|1,0,0]=2 2204 B13R1.44 CCCCC(=O)Nc1ccccc1 22a_100000106764_100000210183 [0,0,0,0,0,1|1,0,0]=2 2205 B13R1.44 CCCCC(=O)Nc1ccccc1 527a_100000106764_100000210183 [0,0,0,0,0,1|1,0,0]=2 2206 B13R1.44 CCCCC(C)Nc1ccccc1 34a_100000106764_200011215066 [0,0,0,0,0,1|2,0,1]=4 2207 B13R1.44 CCCCC(C)Oc1ccccc1 34a_100000210340_200011215066 [0,0,0,0,0,1|2,0,1]=4 2208 B13R1.44 CCCCC(C)Oc1ccccc1 7a_100000210340_200011215066 [0,0,0,0,0,1|2,0,1]=4 2209 B13R1.44 CCCCC(C)Sc1ccccc1 62a_100000719477_200011215066 [0,0,0,0,0,1|2,0,1]=4 2210 B13R1.44 CCCCC(C)Sc1ccccc1 62a_200011215066_100000041952 [0,0,0,0,0,1|2,0,1]=4 2211 B13R1.44 CCCCN(C)Cc1ccccc1 2230a_100000186898_100000210211 [0,0,0,0,0,1|3,0,0]=4 2212 B13R1.44 CCCCN(C)Cc1ccccc1 2230a_100000207549_100015291786 [0,0,0,0,0,1|3,0,0]=4 2213 B13R1.44 CCCCN(C)Cc1ccccc1 2230a_200000196024_200000210301 [0,0,0,0,0,1|3,0,0]=4 2214 B13R1.44 CCCCN(C)Cc1ccccc1 269982a_100000186898_100000210211 [0,0,0,0,0,1|3,0,0]=4 2215 B13R1.44 CCCCN(C)Cc1ccccc1 269982a_100000207549_100000211182 [0,0,0,0,0,1|3,0,0]=4 2216 B13R1.44 CCCCN(C)Cc1ccccc1 269982a_200000196024_200000210301 [0,0,0,0,0,1|3,0,0]=4 2217 B13R1.44 CCCCN(C)Cc1ccccc1 270004a_100000207549_100015611070 [0,0,0,0,0,1|3,0,0]=4 2218 B13R1.44 CCCCN([13CH3])Cc1ccccc1 2230a_200000196024_200025704644 [0,0,0,0,0,1|3,0,0]=4 2219 B13R1.44 CCCCN([13CH3])Cc1ccccc1 269982a_200000196024_200025704644 [0,0,0,0,0,1|3,0,0]=4 2220 B13R1.44 CCCNC(=O)C[n+]1ccccc1 11a_100020643023_200000086051 [0,0,0,0,0,1|2,0,0]=3 2221 B13R1.44 CCCNC(=O)C[n+]1ccccc1 240690a_100020643023_200000086051 [0,0,0,0,0,1|2,0,0]=3 2222 B13R1.44 CCCNC(=O)C[n+]1ccccc1 527a_100020643023_200000086051 [0,0,0,0,0,1|2,0,0]=3 2223 B13R1.44 CCCNC(=O)Cc1ccccn1 11a_100020643023_100000233486 [0,0,0,0,0,1|2,0,0]=3 2224 B13R1.44 CCCNC(=O)Cc1cccnc1 11a_100020643023_100000737805 [0,0,0,0,0,1|2,0,0]=3 2225 B13R1.44 CCCNC(=O)Cc1cccnc1 240690a_100020643023_100000737805 [0,0,0,0,0,1|2,0,0]=3 2226 B13R1.44 CCCNC(=O)Cc1cccnc1 527a_100020643023_100000737805 [0,0,0,0,0,1|2,0,0]=3 2227 B13R1.44 CCCNC(=O)Cc1ccncc1 11a_100020643023_100011201483 [0,0,0,0,0,1|2,0,0]=3 2228 B13R1.44 CCCNC(=O)Cc1ccncc1 240690a_100020643023_100011201483 [0,0,0,0,0,1|2,0,0]=3 2229 B13R1.44 CCCNC(=O)Cc1cnccn1 11a_100020643023_100000726051 [0,0,0,0,0,1|3,0,0]=4 2230 B13R1.44 CCCNC(=O)Cc1cnccn1 240690a_100020643023_100000726051 [0,0,0,0,0,1|3,0,0]=4 2231 B13R1.44 CCCNC(=O)Cc1cnccn1 527a_100020643023_100000726051 [0,0,0,0,0,1|3,0,0]=4 2232 B13R1.44 CCCNC(=O)Cc1cncnc1 11a_100020643023_100000721575 [0,0,0,0,0,1|3,0,0]=4 2233 B13R1.44 CCCNC(=O)Cc1cncnc1 240690a_100020643023_100000721575 [0,0,0,0,0,1|3,0,0]=4 2234 B13R1.44 CCCNC(=O)Cc1cncnc1 527a_100020643023_100000721575 [0,0,0,0,0,1|3,0,0]=4 2235 B13R1.44 CCCNC(=O)Nc1ccccc1 2430a_100000106764_100020643023 [0,0,0,0,0,1|1,0,0]=2 2236 B13R1.44 CCCOC(C)Cc1ccccc1 34a_100000210258_200011218536 [0,0,0,0,0,1|1,0,1]=3 2237 B13R1.44 CCCOC(C)Cc1ccccc1 34a_100000748627_100000210303 [0,0,0,0,0,1|1,0,1]=3 2238 B13R1.44 CCCOC(C)Cc1ccccc1 7a_100000748627_100000210303 [0,0,0,0,0,1|1,0,1]=3 2239 B13R1.44 CCCSC(C)Cc1ccccc1 62a_100000210303_200011218536 [0,0,0,0,0,1|1,1,1]=4 2240 B13R1.44 CCCSC(C)Cc1ccccc1 62a_200011218536_100000210303 [0,0,0,0,0,1|1,1,1]=4 2241 B13R1.44 CCNCC(=O)Cc1ccccc1 2230a_100015525214_100000233483 [0,0,0,0,0,1|2,0,0]=3 2242 B13R1.44 CCNCC(=O)Nc1ccccc1 2230a_100015525214_100000182850 [0,0,0,0,0,1|2,0,0]=3 2243 B13R1.44 CCNCC(=O)Nc1ccccn1 2230a_100015525214_100020662008 [0,0,0,0,0,1|3,0,0]=4 2244 B13R1.44 CCNCC(=O)Nc1ccncc1 2230a_100015525214_100000754145 [0,0,0,0,0,1|3,0,0]=4 2245 B13R1.44 CCNCC(=O)Oc1ccccc1 2230a_100015525214_100009813826 [0,0,0,0,0,1|2,0,0]=3 2246 B13R1.44 CCNNC(=O)C[n+]1ccccc1 22a_100000756455_200000086051 [0,0,0,0,0,1|3,0,0]=4 2247 B13R1.44 CCNNC(=O)Cc1ccccn1 22a_100000756455_100000233486 [0,0,0,0,0,1|3,0,0]=4 2248 B13R1.44 CCNNC(=O)Cc1cccnc1 22a_100000756455_100000737805 [0,0,0,0,0,1|3,0,0]=4 2249 B13R1.44 CCNNC(=O)Cc1ccncc1 22a_100000756455_100011201483 [0,0,0,0,0,1|3,0,0]=4 2250 B13R1.44 CCOC/C(=C/c1ccccc1)/C 34a_200025717232_100000210202 [0,0,0,0,0,1|3,0,0]=4 2251 B13R1.44 CCOC/C(=C/c1ccccc1)/C 7a_200025717232_100000210202 [0,0,0,0,0,1|3,0,0]=4 2252 B13R1.44 CCOCC(=O)Cc1ccccc1 1458a_100000211967_100015291786 [0,0,0,0,0,1|2,0,0]=3 2253 B13R1.44 CCOCC(=O)Cc1ccccn1 1458a_100000211967_100000721315 [0,0,0,0,0,1|3,0,0]=4 2254 B13R1.44 CCOCC(=O)Cc1cccnc1 1458a_100000211967_100000733263 [0,0,0,0,0,1|3,0,0]=4 2255 B13R1.44 CCOCC(=O)Cc1ccncc1 1458a_100000211967_100000705612 [0,0,0,0,0,1|3,0,0]=4 2256 B13R1.44 CCOCC(=O)Nc1ccccc1 11a_100000106764_100000211967 [0,0,0,0,0,1|2,0,0]=3 2257 B13R1.44 CCOCC(=O)Nc1ccccc1 1626a_100000106764_100000211967 [0,0,0,0,0,1|2,0,0]=3 2258 B13R1.44 CCOCC(=O)Nc1ccccc1 22a_100000106764_100000211967 [0,0,0,0,0,1|2,0,0]=3 2259 B13R1.44 CCOCC(=O)Nc1ccccc1 34a_100000246334_100000210202 [0,0,0,0,0,1|2,0,0]=3 2260 B13R1.44 CCOCC(=O)Nc1ccccc1 34a_100121572206_100000182850 [0,0,0,0,0,1|2,0,0]=3 2261 B13R1.44 CCOCC(=O)Nc1ccccc1 527a_100000106764_100000211967 [0,0,0,0,0,1|2,0,0]=3 2262 B13R1.44 CCOCC(=O)Oc1ccccc1 34a_100121572206_100009813826 [0,0,0,0,0,1|2,0,0]=3 2263 B13R1.44 CCSCC(=O)Cc1ccccc1 1458a_100000230394_100015291786 [0,0,0,0,0,1|2,0,0]=3 2264 B13R1.44 CCSCC(=O)Cc1ccccc1 62a_100000210202_100000233483 [0,0,0,0,0,1|2,0,0]=3 2265 B13R1.44 CCSCC(=O)Cc1ccccc1 62a_100000233483_100000210202 [0,0,0,0,0,1|2,0,0]=3 2266 B13R1.44 CCSCC(=O)Cc1ccccn1 1458a_100000230394_100000721315 [0,0,0,0,0,1|3,0,0]=4 2267 B13R1.44 CCSCC(=O)Cc1cccnc1 1458a_100000230394_100000733263 [0,0,0,0,0,1|3,0,0]=4 2268 B13R1.44 CCSCC(=O)Cc1ccncc1 1458a_100000230394_100000705612 [0,0,0,0,0,1|3,0,0]=4 2269 B13R1.44 CCSCC(=O)Nc1ccccc1 11a_100000106764_100000230394 [0,0,0,0,0,1|2,0,0]=3 2270 B13R1.44 CCSCC(=O)Nc1ccccc1 1626a_100000106764_100000230394 [0,0,0,0,0,1|2,0,0]=3 2271 B13R1.44 CCSCC(=O)Nc1ccccc1 22a_100000106764_100000230394 [0,0,0,0,0,1|2,0,0]=3 2272 B13R1.44 CCSCC(=O)Nc1ccccc1 527a_100000106764_100000230394 [0,0,0,0,0,1|2,0,0]=3 2273 B13R1.44 CCSCC(=O)Nc1ccccc1 62a_100000210202_100000182850 [0,0,0,0,0,1|2,0,0]=3 2274 B13R1.44 CCSCC(=O)Nc1ccccc1 62a_100012148978_100000210202 [0,0,0,0,0,1|2,0,0]=3 2275 B13R1.44 CCSCC(=O)Nc1ccccn1 62a_100000210202_100020662008 [0,0,0,0,0,1|3,0,0]=4 2276 B13R1.44 CCSCC(=O)Nc1ccccn1 62a_100020662008_100000210202 [0,0,0,0,0,1|3,0,0]=4 2277 B13R1.44 CCSCC(=O)Nc1ccncc1 62a_100000210202_100000754145 [0,0,0,0,0,1|3,0,0]=4 2278 B13R1.44 CCSCC(=O)Oc1ccccc1 62a_100000210202_100009813826 [0,0,0,0,0,1|2,0,0]=3 2279 B13R1.44 CCSCC(=O)Oc1ccccc1 62a_100009813826_100000210202 [0,0,0,0,0,1|2,0,0]=3 2280 B13R1.44 CNCCC(=O)Nc1ccccc1 2230a_106832991635_100000242058 [0,0,0,0,0,1|2,0,0]=3 2281 B13R1.44 CNCCC(=O)Nc1ccccc1 34a_100102657272_100000242058 [0,0,0,0,0,1|2,0,0]=3 2282 B13R1.44 CNCCC(=O)Nc1ccccc1 7a_106832991635_100000242058 [0,0,0,0,0,1|2,0,0]=3 2283 B13R1.44 CNCCC(=O)Nc1cccnc1 2230a_106832991635_200015187043 [0,0,0,0,0,1|3,0,0]=4 2284 B13R1.44 CNCCC(=O)Nc1cccnc1 34a_100000748795_200000210301 [0,0,0,0,0,1|3,0,0]=4 2285 B13R1.44 CNCCC(=O)Nc1cccnc1 7a_106832991635_200015187043 [0,0,0,0,0,1|3,0,0]=4 2286 B13R1.44 CNCCC(=O)Oc1ccccc1 2230a_106832991635_200000035796 [0,0,0,0,0,1|2,0,0]=3 2287 B13R1.44 CNCCC(=O)Oc1ccccc1 7a_106832991635_200000035796 [0,0,0,0,0,1|2,0,0]=3 2288 B13R1.44 COC=CC(=O)Cc1ccccc1 1458a_100016268678_100015291786 [0,0,0,0,0,1|2,0,1]=4 2289 B13R1.44 COC=CC(=O)Nc1ccccc1 1626a_100000106764_100016268678 [0,0,0,0,0,1|2,0,1]=4 2290 B13R1.44 COC=CC(=O)Nc1ccccc1 22a_100000106764_100016268678 [0,0,0,0,0,1|2,0,1]=4 2291 B13R1.44 COCCC(=O)C[n+]1ccccc1 1458a_200000086051_100000233755 [0,0,0,0,0,1|3,0,0]=4 2292 B13R1.44 COCCC(=O)Cc1ccccc1 1458a_100000749529_100015291786 [0,0,0,0,0,1|2,0,0]=3 2293 B13R1.44 COCCC(=O)Cc1ccccn1 1458a_100000233486_100000233755 [0,0,0,0,0,1|3,0,0]=4 2294 B13R1.44 COCCC(=O)Cc1ccccn1 1458a_100000749529_100000721315 [0,0,0,0,0,1|3,0,0]=4 2295 B13R1.44 COCCC(=O)Cc1cccnc1 1458a_100000737805_100000233755 [0,0,0,0,0,1|3,0,0]=4 2296 B13R1.44 COCCC(=O)Cc1cccnc1 1458a_100000749529_100000733263 [0,0,0,0,0,1|3,0,0]=4 2297 B13R1.44 COCCC(=O)Cc1ccncc1 1458a_100000749529_100000705612 [0,0,0,0,0,1|3,0,0]=4 2298 B13R1.44 COCCC(=O)Nc1ccccc1 11a_100000106764_100000749529 [0,0,0,0,0,1|2,0,0]=3 2299 B13R1.44 COCCC(=O)Nc1ccccc1 1626a_100000106764_100000749529 [0,0,0,0,0,1|2,0,0]=3 2300 B13R1.44 COCCC(=O)Nc1ccccc1 22a_100000106764_100000749529 [0,0,0,0,0,1|2,0,0]=3 2301 B13R1.44 COCCC(=O)Nc1ccccc1 34a_100138415774_100000242058 [0,0,0,0,0,1|2,0,0]=3 2302 B13R1.44 COCCC(=O)Nc1ccccc1 527a_100000106764_100000749529 [0,0,0,0,0,1|2,0,0]=3 2303 B13R1.44 CSCCC(=O)C[n+]1ccccc1 1458a_200000086051_100000751147 [0,0,0,0,0,1|3,0,0]=4 2304 B13R1.44 CSCCC(=O)Cc1ccccc1 1458a_100000174002_100015291786 [0,0,0,0,0,1|2,0,0]=3 2305 B13R1.44 CSCCC(=O)Cc1ccccn1 1458a_100000174002_100000721315 [0,0,0,0,0,1|3,0,0]=4 2306 B13R1.44 CSCCC(=O)Cc1ccccn1 1458a_100000233486_100000751147 [0,0,0,0,0,1|3,0,0]=4 2307 B13R1.44 CSCCC(=O)Cc1cccnc1 1458a_100000174002_100000733263 [0,0,0,0,0,1|3,0,0]=4 2308 B13R1.44 CSCCC(=O)Cc1cccnc1 1458a_100000737805_100000751147 [0,0,0,0,0,1|3,0,0]=4 2309 B13R1.44 CSCCC(=O)Cc1ccncc1 1458a_100000174002_100000705612 [0,0,0,0,0,1|3,0,0]=4 2310 B13R1.44 CSCCC(=O)Nc1ccccc1 11a_100000106764_100000174002 [0,0,0,0,0,1|2,0,0]=3 2311 B13R1.44 CSCCC(=O)Nc1ccccc1 1626a_100000106764_100000174002 [0,0,0,0,0,1|2,0,0]=3 2312 B13R1.44 CSCCC(=O)Nc1ccccc1 22a_100000106764_100000174002 [0,0,0,0,0,1|2,0,0]=3 2313 B13R1.44 CSCCC(=O)Nc1ccccc1 527a_100000106764_100000174002 [0,0,0,0,0,1|2,0,0]=3 2314 B13R1.44 CSCCC(=O)Nc1ccccc1 62a_200000210301_100000242058 [0,0,0,0,0,1|2,0,0]=3 2315 B13R1.44 CSCCC(=O)Nc1cccnc1 62a_200000210301_200015187043 [0,0,0,0,0,1|3,0,0]=4 2316 B13R1.44 CSCCC(=O)Oc1ccccc1 62a_200000210301_200000035796 [0,0,0,0,0,1|2,0,0]=3 2317 B13R1.44 CSCOC(C)Cc1ccccc1 34a_100000748627_100011218213 [0,0,0,0,0,1|2,0,1]=4 2318 B13R1.44 N#CCCC(=O)Cc1ccccc1 1458a_100011934036_100015291786 [0,0,0,0,0,1|2,0,1]=4 2319 B13R1.44 N#CCCC(=O)Nc1ccccc1 11a_100000106764_100011934036 [0,0,0,0,0,1|2,0,1]=4 2320 B13R1.44 N#CCCC(=O)Nc1ccccc1 1626a_100000106764_100011934036 [0,0,0,0,0,1|2,0,1]=4 2321 B13R1.44 N#CCCC(=O)Nc1ccccc1 22a_100000106764_100011934036 [0,0,0,0,0,1|2,0,1]=4 2322 B13R1.44 N#CCCC(=O)Nc1ccccc1 527a_100000106764_100011934036 [0,0,0,0,0,1|2,0,1]=4 2323 B13R1.44 N#CCNC(=O)Nc1ccccc1 2430a_100000106764_100000734998 [0,0,0,0,0,1|2,0,1]=4 2324 B13R1.44 O=C(C#CCO)Cc1ccccc1 1458a_100000049017_100015291786 [0,0,0,0,0,1|2,0,1]=4 2325 B13R1.44 O=C(CCCF)C[n+]1ccccc1 1458a_200000086051_100011934791 [0,0,0,0,0,1|3,0,0]=4 2326 B13R1.44 O=C(CCCF)Cc1ccccn1 1458a_100000233486_100011934791 [0,0,0,0,0,1|3,0,0]=4 2327 B13R1.44 O=C(CCCF)Cc1cccnc1 1458a_100000737805_100011934791 [0,0,0,0,0,1|3,0,0]=4 2328 B13R1.44 O=C(CCCO)C[n+]1ccccc1 1458a_200000086051_100011215043 [0,0,0,0,0,1|3,0,0]=4 2329 B13R1.44 O=C(CCCO)Cc1ccccn1 1458a_100000233486_100011215043 [0,0,0,0,0,1|3,0,0]=4 2330 B13R1.44 O=C(CCCO)Cc1cccnc1 1458a_100000737805_100011215043 [0,0,0,0,0,1|3,0,0]=4 2331 B13R1.44 O=C(COCF)Nc1ccccc1 34a_100000246334_100015361967 [0,0,0,0,0,1|3,0,0]=4 2332 B13R1.44 O=C(CSCF)Cc1ccccc1 62a_100000233483_100015361967 [0,0,0,0,0,1|3,0,0]=4 2333 B13R1.44 O=C(CSCF)Cc1ccccc1 62a_100015361967_100000233483 [0,0,0,0,0,1|3,0,0]=4 2334 B13R1.44 O=C(CSCF)Nc1ccccc1 62a_100012148978_100015361967 [0,0,0,0,0,1|3,0,0]=4 2335 B13R1.44 O=C(CSCF)Nc1ccccc1 62a_100015361967_100000182850 [0,0,0,0,0,1|3,0,0]=4 2336 B13R1.44 O=C(CSCF)Oc1ccccc1 62a_100009813826_100015361967 [0,0,0,0,0,1|3,0,0]=4 2337 B13R1.44 O=C(CSCF)Oc1ccccc1 62a_100015361967_100009813826 [0,0,0,0,0,1|3,0,0]=4 2338 B13R1.44 O=C(C[n+]1ccccc1)NCCF 11a_100000724931_200000086051 [0,0,0,0,0,1|3,0,0]=4 2339 B13R1.44 O=C(C[n+]1ccccc1)NCCF 240690a_100000724931_200000086051 [0,0,0,0,0,1|3,0,0]=4 2340 B13R1.44 O=C(C[n+]1ccccc1)NCCF 527a_100000724931_200000086051 [0,0,0,0,0,1|3,0,0]=4 2341 B13R1.44 O=C(C[n+]1ccccc1)NCCO 240690a_100000210304_200000086051 [0,0,0,0,0,1|3,0,0]=4 2342 B13R1.44 O=C(C[n+]1ccccc1)NCCO 527a_100000210304_200000086051 [0,0,0,0,0,1|3,0,0]=4 2343 B13R1.44 O=C(Cc1ccccn1)NCCF 11a_100000724931_100000233486 [0,0,0,0,0,1|3,0,0]=4 2344 B13R1.44 O=C(Cc1cccnc1)NCCF 11a_100000724931_100000737805 [0,0,0,0,0,1|3,0,0]=4 2345 B13R1.44 O=C(Cc1cccnc1)NCCF 240690a_100000724931_100000737805 [0,0,0,0,0,1|3,0,0]=4 2346 B13R1.44 O=C(Cc1cccnc1)NCCF 527a_100000724931_100000737805 [0,0,0,0,0,1|3,0,0]=4 2347 B13R1.44 O=C(Cc1cccnc1)NCCO 240690a_100000210304_100000737805 [0,0,0,0,0,1|3,0,0]=4 2348 B13R1.44 O=C(Cc1cccnc1)NCCO 527a_100000210304_100000737805 [0,0,0,0,0,1|3,0,0]=4 2349 B13R1.44 O=C(Cc1ccncc1)NCCF 11a_100000724931_100011201483 [0,0,0,0,0,1|3,0,0]=4 2350 B13R1.44 O=C(Cc1ccncc1)NCCF 240690a_100000724931_100011201483 [0,0,0,0,0,1|3,0,0]=4 2351 B13R1.44 O=C(Cc1ccncc1)NCCO 240690a_100000210304_100011201483 [0,0,0,0,0,1|3,0,0]=4 2352 B13R1.44 O=C(NCCF)Nc1ccccc1 2430a_100000106764_100000724931 [0,0,0,0,0,1|2,0,0]=3 2353 B13R1.44 O=C(NCCO)Nc1ccccc1 2430a_100000106764_100000210304 [0,0,0,0,0,1|2,0,0]=3 2354 B13R1.44 [13CH3]NCCC(=O)Nc1cccnc1 34a_100000748795_200025704644 [0,0,0,0,0,1|3,0,0]=4 2355 B13R1.44 [13CH3]SCCC(=O)Nc1ccccc1 62a_200025704644_100000242058 [0,0,0,0,0,1|2,0,0]=3 2356 B13R1.44 [13CH3]SCCC(=O)Nc1cccnc1 62a_200025704644_200015187043 [0,0,0,0,0,1|3,0,0]=4 2357 B13R1.44 [13CH3]SCCC(=O)Oc1ccccc1 62a_200025704644_200000035796 [0,0,0,0,0,1|2,0,0]=3 2358 B10R0.91 C/C=C/C=CC(=O)CCCC 1458a_100000185730_100000210211 [1,0,1,0,0,0|1,0,1]=4 2359 B10R0.91 C/C=C/C=CC(=O)NCCC 11a_100020643023_100000185730 [1,0,1,0,0,0|1,0,1]=4 2360 B10R0.91 C/C=C/C=CC(=O)NCCC 1626a_100020643023_100000185730 [1,0,1,0,0,0|1,0,1]=4 2361 B10R0.91 C/C=C/C=CC(=O)NCCC 240690a_100020643023_100000185730 [1,0,1,0,0,0|1,0,1]=4 2362 B10R1.15 CCC(=O)c1ccccc1 1458a_100000185807_100000210202 [2,0,0,0,0,0|0,0,0]=2 2363 B10R1.15 CCN(C)c1ccccc1 2230a_100000210012_100000210202 [2,0,0,0,0,0|2,0,0]=4 2364 B10R1.15 CCN(C)c1ccccc1 2230a_100000210013_200000210301 [2,0,0,0,0,0|2,0,0]=4 2365 B10R1.15 CCN(C)c1ccccc1 269982a_100000210012_100000204670 [2,0,0,0,0,0|2,0,0]=4 2366 B10R1.15 CCN(C)c1ccccc1 269982a_100000210013_200000210301 [2,0,0,0,0,0|2,0,0]=4 2367 B10R1.15 CCN(C)c1ccccc1 34a_100000210012_100000210202 [2,0,0,0,0,0|2,0,0]=4 2368 B10R1.15 CCN(C)c1ccccc1 34a_100000210013_200000210301 [2,0,0,0,0,0|2,0,0]=4 2369 B10R1.15 CCN([13CH3])c1ccccc1 2230a_100000210013_200025704644 [2,0,0,0,0,0|2,0,0]=4 2370 B10R1.15 CCN([13CH3])c1ccccc1 269982a_100000210013_200025704644 [2,0,0,0,0,0|2,0,0]=4 2371 B10R1.15 CCN([13CH3])c1ccccc1 34a_100000210013_200025704644 [2,0,0,0,0,0|2,0,0]=4 2372 B10R1.15 CNC(=O)c1ccccc1 11a_106832991635_100000185807 [2,0,0,0,0,0|1,0,0]=3 2373 B10R1.15 CNC(=O)c1ccccc1 1626a_100102657272_100000185807 [2,0,0,0,0,0|1,0,0]=3 2374 B10R1.15 CNC(=O)c1ccccc1 240690a_100102657272_100000185807 [2,0,0,0,0,0|1,0,0]=3 2375 B10R1.15 CNC(=O)c1ccccc1 527a_100102657272_100000185807 [2,0,0,0,0,0|1,0,0]=3 2376 B10R1.15 COC(C)c1ccccc1 34a_100138415774_100000211855 [2,0,0,0,0,0|1,0,1]=4 2377 B10R1.15 CO[C@H](C)c1ccccc1 34a_100000761318_200000210301 [2,0,0,0,0,0|1,0,1]=4 2378 B10R1.15 CO[C@H](C)c1ccccc1 7a_100000761318_200000210301 [2,0,0,0,0,0|1,0,1]=4 2379 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 34a_100000761318_200025704644 [2,0,0,0,0,0|1,0,1]=4 2380 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 7a_100000761318_200025704644 [2,0,0,0,0,0|1,0,1]=4 2381 B10R1.15 O=C(CF)c1ccccc1 1458a_100000185807_100015361967 [2,0,0,0,0,0|1,0,0]=3 2382 B10R1.17 C#CCOc1ccccc1 34a_100000210340_100000184674 [2,0,0,0,0,0|0,0,2]=4 2383 B10R1.17 C#CCOc1ccccc1 7a_100000210340_100000038162 [2,0,0,0,0,0|0,0,2]=4 2384 B10R1.17 C=CCOc1ccccc1 34a_100000210340_100015514636 [2,0,0,0,0,0|0,0,2]=4 2385 B10R1.17 C=CCOc1ccccc1 7a_100000210340_100015514636 [2,0,0,0,0,0|0,0,2]=4 2386 B10R1.17 CCCCc1ccccc1 271570a_100020621405_100000210277 [2,0,0,0,0,0|0,0,1]=3 2387 B10R1.17 CCCCc1ccccn1 271570a_100020621405_100011216584 [2,0,0,0,0,0|1,0,1]=4 2388 B10R1.17 CCCCc1cccnc1 271570a_100020621405_100000752921 [2,0,0,0,0,0|1,0,1]=4 2389 B10R1.17 CCCCc1ccncc1 271570a_100020621405_100000035832 [2,0,0,0,0,0|1,0,1]=4 2390 B10R1.17 CCCNc1ccccc1 34a_100000106764_100000210303 [2,0,0,0,0,0|1,0,0]=3 2391 B10R1.17 CCCOc1ccccc1 34a_100000210340_100000210303 [2,0,0,0,0,0|0,0,0]=2 2392 B10R1.17 CCCOc1ccccc1 7a_100000210340_100000210303 [2,0,0,0,0,0|0,0,0]=2 2393 B10R1.17 CCCOc1cccnc1 34a_100000210849_100000210303 [2,0,0,0,0,0|1,0,0]=3 2394 B10R1.17 CCCOc1cccnc1 7a_100000210849_100000210303 [2,0,0,0,0,0|1,0,0]=3 2395 B10R1.17 CCCOc1ccncc1 34a_100000212176_100000210303 [2,0,0,0,0,0|1,0,0]=3 2396 B10R1.17 CCCOc1ccnnc1 34a_100015204005_100000210303 [2,0,0,0,0,0|2,0,0]=4 2397 B10R1.17 CCCOc1cncnc1 7a_100000754086_100000210303 [2,0,0,0,0,0|2,0,0]=4 2398 B10R1.17 CCCSc1ccccc1 62a_100000210303_100000041952 [2,0,0,0,0,0|0,1,0]=3 2399 B10R1.17 CCCSc1ccccc1 62a_100000719477_100000210303 [2,0,0,0,0,0|0,1,0]=3 2400 B10R1.17 CCCSc1ccccn1 62a_100000210303_100011216584 [2,0,0,0,0,0|1,1,0]=4 2401 B10R1.17 CCCSc1ccccn1 62a_100011216584_100000210303 [2,0,0,0,0,0|1,1,0]=4 2402 B10R1.17 CCCSc1cccnc1 62a_100000210063_100000210303 [2,0,0,0,0,0|1,1,0]=4 2403 B10R1.17 CCCSc1cccnc1 62a_100000210303_100000210063 [2,0,0,0,0,0|1,1,0]=4 2404 B10R1.17 CCCSc1ccncc1 62a_100000210303_100000728582 [2,0,0,0,0,0|1,1,0]=4 2405 B10R1.17 CCCSc1ccncc1 62a_100000728582_100000210303 [2,0,0,0,0,0|1,1,0]=4 2406 B10R1.17 CCNCc1ccccc1 207a_100015525214_100015611070 [2,0,0,0,0,0|1,0,1]=4 2407 B10R1.17 CCNCc1ccccc1 2230a_100015324214_100000210202 [2,0,0,0,0,0|1,0,1]=4 2408 B10R1.17 CCNCc1ccccc1 2230a_100015525214_100015291786 [2,0,0,0,0,0|1,0,1]=4 2409 B10R1.17 CCNCc1ccccc1 270004a_100015525214_100015611070 [2,0,0,0,0,0|1,0,1]=4 2410 B10R1.17 CCNCc1ccccc1 34a_100015324214_100000210202 [2,0,0,0,0,0|1,0,1]=4 2411 B10R1.17 CCOCc1ccccc1 34a_100000210790_100000210202 [2,0,0,0,0,0|0,0,1]=3 2412 B10R1.17 CCOCc1ccccc1 34a_100121572206_100015291786 [2,0,0,0,0,0|0,0,1]=3 2413 B10R1.17 CCOCc1ccccc1 7a_100000210790_100000210202 [2,0,0,0,0,0|0,0,1]=3 2414 B10R1.17 CCOCc1ccccn1 34a_100121572206_100000721315 [2,0,0,0,0,0|1,0,1]=4 2415 B10R1.17 CCOCc1cccnc1 34a_100121572206_100000733263 [2,0,0,0,0,0|1,0,1]=4 2416 B10R1.17 CCSCc1ccccc1 62a_100000210202_100015291786 [2,0,0,0,0,0|0,1,1]=4 2417 B10R1.17 CCSCc1ccccc1 62a_100000211182_100000210202 [2,0,0,0,0,0|0,1,1]=4 2418 B10R1.17 CNCCc1ccccc1 2230a_100000106460_200000210301 [2,0,0,0,0,0|1,0,1]=4 2419 B10R1.17 CNCCc1ccccc1 2230a_106832991635_100000765856 [2,0,0,0,0,0|1,0,1]=4 2420 B10R1.17 CNCCc1ccccc1 34a_100000106460_200000210301 [2,0,0,0,0,0|1,0,1]=4 2421 B10R1.17 CNCCc1ccccc1 34a_100102657272_100000765856 [2,0,0,0,0,0|1,0,1]=4 2422 B10R1.17 CNCCc1ccccc1 7a_106832991635_100000765856 [2,0,0,0,0,0|1,0,1]=4 2423 B10R1.17 CNCSc1ccccc1 2230a_106832991635_100011218342 [2,0,0,0,0,0|1,1,0]=4 2424 B10R1.17 COCCc1ccccc1 34a_100000210268_200000210301 [2,0,0,0,0,0|1,0,1]=4 2425 B10R1.17 COCCc1ccccc1 34a_100138415774_100000765856 [2,0,0,0,0,0|1,0,1]=4 2426 B10R1.17 COCCc1ccccc1 7a_100000210268_200000210301 [2,0,0,0,0,0|1,0,1]=4 2427 B10R1.17 COCSc1ccccc1 62a_100000719477_100000766300 [2,0,0,0,0,0|1,1,0]=4 2428 B10R1.17 COCSc1ccccc1 62a_100000766300_100000041952 [2,0,0,0,0,0|1,1,0]=4 2429 B10R1.17 CSCCc1ccccc1 62a_100000765856_200000210301 [2,0,0,0,0,0|1,0,1]=4 2430 B10R1.17 CSCCc1ccccc1 62a_200000210301_100011218657 [2,0,0,0,0,0|1,0,1]=4 2431 B10R1.17 CSCNc1ccccc1 34a_100000106764_100011218213 [2,0,0,0,0,0|2,0,0]=4 2432 B10R1.17 CSCOc1ccccc1 34a_100000210340_100011218213 [2,0,0,0,0,0|1,0,0]=3 2433 B10R1.17 CSCOc1cccnc1 34a_100000210849_100011218213 [2,0,0,0,0,0|2,0,0]=4 2434 B10R1.17 CSCOc1ccncc1 34a_100000212176_100011218213 [2,0,0,0,0,0|2,0,0]=4 2435 B10R1.17 CSCSc1ccccc1 62a_100000719477_100011218213 [2,0,0,0,0,0|1,1,0]=4 2436 B10R1.17 CSCSc1ccccc1 62a_100011218213_100000041952 [2,0,0,0,0,0|1,1,0]=4 2437 B10R1.17 CSCSc1ccccc1 62a_100011218342_200000210301 [2,0,0,0,0,0|1,1,0]=4 2438 B10R1.17 CSCSc1ccccc1 62a_200000210301_100011218342 [2,0,0,0,0,0|1,1,0]=4 2439 B10R1.17 FCCNc1ccccc1 34a_100000106764_100011217306 [2,0,0,0,0,0|2,0,0]=4 2440 B10R1.17 FCCOc1ccccc1 34a_100000210340_100011217306 [2,0,0,0,0,0|1,0,0]=3 2441 B10R1.17 FCCOc1ccccc1 7a_100000210340_100011217306 [2,0,0,0,0,0|1,0,0]=3 2442 B10R1.17 FCCOc1cccnc1 34a_100000210849_100011217306 [2,0,0,0,0,0|2,0,0]=4 2443 B10R1.17 FCCOc1cccnc1 7a_100000210849_100011217306 [2,0,0,0,0,0|2,0,0]=4 2444 B10R1.17 FCCOc1ccncc1 34a_100000212176_100011217306 [2,0,0,0,0,0|2,0,0]=4 2445 B10R1.17 FCCSc1ccccc1 62a_100000719477_100011217306 [2,0,0,0,0,0|1,1,0]=4 2446 B10R1.17 FCCSc1ccccc1 62a_100011217306_100000041952 [2,0,0,0,0,0|1,1,0]=4 2447 B10R1.17 FCOCc1ccccc1 34a_100000210790_100015361967 [2,0,0,0,0,0|1,0,1]=4 2448 B10R1.17 FCOCc1ccccc1 7a_100000210790_100015361967 [2,0,0,0,0,0|1,0,1]=4 2449 B10R1.17 N#CCOc1ccccc1 7a_100000210340_100011215382 [2,0,0,0,0,0|1,0,1]=4 2450 B10R1.17 O=CCOc1ccccc1 34a_100000210340_200009817547 [2,0,0,0,0,0|1,0,1]=4 2451 B10R1.17 O=CCOc1ccccc1 7a_100000210340_200015260668 [2,0,0,0,0,0|1,0,1]=4 2452 B10R1.17 OCCNc1ccccc1 34a_100000106764_100000211926 [2,0,0,0,0,0|2,0,0]=4 2453 B10R1.17 OCCOc1ccccc1 34a_100000210340_100000211926 [2,0,0,0,0,0|1,0,0]=3 2454 B10R1.17 OCCOc1ccccc1 7a_100000210340_100000211926 [2,0,0,0,0,0|1,0,0]=3 2455 B10R1.17 OCCOc1cccnc1 34a_100000210849_100000211926 [2,0,0,0,0,0|2,0,0]=4 2456 B10R1.17 OCCOc1cccnc1 7a_100000210849_100000211926 [2,0,0,0,0,0|2,0,0]=4 2457 B10R1.17 OCCOc1ccncc1 34a_100000212176_100000211926 [2,0,0,0,0,0|2,0,0]=4 2458 B10R1.17 OCCSc1ccccc1 62a_100000211926_100000041952 [2,0,0,0,0,0|1,1,0]=4 2459 B10R1.17 OCCSc1ccccc1 62a_100000719477_100000211926 [2,0,0,0,0,0|1,1,0]=4 2460 B10R1.17 [13CH3]NCCc1ccccc1 2230a_100000106460_200025704644 [2,0,0,0,0,0|1,0,1]=4 2461 B10R1.17 [13CH3]NCCc1ccccc1 34a_100000106460_200025704644 [2,0,0,0,0,0|1,0,1]=4 2462 B10R1.17 [13CH3]OCCc1ccccc1 34a_100000210268_200025704644 [2,0,0,0,0,0|1,0,1]=4 2463 B10R1.17 [13CH3]OCCc1ccccc1 7a_100000210268_200025704644 [2,0,0,0,0,0|1,0,1]=4 2464 B10R1.17 [13CH3]SCCc1ccccc1 62a_100000765856_200025704644 [2,0,0,0,0,0|1,0,1]=4 2465 B10R1.17 [13CH3]SCCc1ccccc1 62a_200025704644_100011218657 [2,0,0,0,0,0|1,0,1]=4 2466 B10R1.17 [13CH3]SCSc1ccccc1 62a_100011218342_200025704644 [2,0,0,0,0,0|1,1,0]=4 2467 B10R1.17 [13CH3]SCSc1ccccc1 62a_200025704644_100011218342 [2,0,0,0,0,0|1,1,0]=4 2468 B12R0.103 C=CC=CC(=O)CC(=O)NCCC 1458a_100016291481_100000183358 [0,1,1,0,0,0|1,0,1]=4 2469 B12R0.103 C=CC=CC(=O)CC(=O)OCCC 1458a_100016291481_200011215008 [0,1,1,0,0,0|0,0,1]=3 2470 B12R1.3 C#CC(OCC)c1ccccc1 34a_100011219616_100000210202 [1,1,0,0,0,0|1,0,1]=4 2471 B12R1.3 C#CC(OCC)c1ccccc1 7a_100011219616_100000210202 [1,1,0,0,0,0|1,0,1]=4 2472 B12R1.3 C=CC(OCC)c1ccccc1 34a_100011215659_100000210202 [1,1,0,0,0,0|1,0,1]=4 2473 B12R1.3 C=CC(OCC)c1ccccc1 7a_100011215659_100000210202 [1,1,0,0,0,0|1,0,1]=4 2474 B12R1.3 CCCC(NC)c1ccccc1 2230a_100000189686_200000210301 [1,1,0,0,0,0|1,0,1]=4 2475 B12R1.3 CCCC(NC)c1ccccc1 269862a_106832991636_100000211045 [1,1,0,0,0,0|1,0,1]=4 2476 B12R1.3 CCCC(NC)c1ccccc1 34a_100000189686_200000210301 [1,1,0,0,0,0|1,0,1]=4 2477 B12R1.3 CCCC(N[13CH3])c1ccccc1 2230a_100000189686_200025704644 [1,1,0,0,0,0|1,0,1]=4 2478 B12R1.3 CCCC(N[13CH3])c1ccccc1 34a_100000189686_200025704644 [1,1,0,0,0,0|1,0,1]=4 2479 B12R1.3 CCCC(OC)c1ccccc1 34a_100000747916_200000210301 [1,1,0,0,0,0|0,0,2]=4 2480 B12R1.3 CCCC(OC)c1ccccc1 7a_100000747916_200000210301 [1,1,0,0,0,0|0,0,2]=4 2481 B12R1.3 CCCC(O[13CH3])c1ccccc1 34a_100000747916_200025704644 [1,1,0,0,0,0|0,0,2]=4 2482 B12R1.3 CCCC(O[13CH3])c1ccccc1 7a_100000747916_200025704644 [1,1,0,0,0,0|0,0,2]=4 2483 B12R1.3 CCCN(CC)c1ccccc1 2230a_100000210013_100000210303 [1,1,0,0,0,0|2,0,0]=4 2484 B12R1.3 CCCN(CC)c1ccccc1 2230a_200011218496_100000210202 [1,1,0,0,0,0|2,0,0]=4 2485 B12R1.3 CCCN(CC)c1ccccc1 269982a_100000210013_100000210303 [1,1,0,0,0,0|2,0,0]=4 2486 B12R1.3 CCCN(CC)c1ccccc1 269982a_200011218496_100000204670 [1,1,0,0,0,0|2,0,0]=4 2487 B12R1.3 CCCN(CC)c1ccccc1 34a_100000210013_100000210303 [1,1,0,0,0,0|2,0,0]=4 2488 B12R1.3 CCCN(CC)c1ccccc1 34a_200011218496_100000210202 [1,1,0,0,0,0|2,0,0]=4 2489 B12R1.3 CCCN(CF)c1ccccc1 269982a_200011218496_100015361967 [1,1,0,0,0,0|2,0,0]=4 2490 B12R1.3 CCCN(CF)c1ccccc1 34a_200011218496_100015361967 [1,1,0,0,0,0|2,0,0]=4 2491 B12R1.3 CCOC(C#N)c1ccccc1 7a_100011217353_100000210202 [1,1,0,0,0,0|1,0,1]=4 2492 B12R1.3 CCOC(CBr)c1ccccc1 7a_100000185958_100000210202 [1,1,0,0,0,0|1,0,1]=4 2493 B12R1.3 CCOC(CC)c1ccccc1 34a_100000698172_100000210202 [1,1,0,0,0,0|1,0,1]=4 2494 B12R1.3 CCOC(CC)c1ccccc1 7a_100000698172_100000210202 [1,1,0,0,0,0|1,0,1]=4 2495 B12R1.3 CCOC(CN)c1ccccc1 34a_100000210709_100000210202 [1,1,0,0,0,0|1,0,1]=4 2496 B12R1.3 CCO[C@H](CCl)c1ccccc1 34a_100011933945_100000210202 [1,1,0,0,0,0|1,0,1]=4 2497 B12R1.3 CCO[C@H](CCl)c1ccccc1 7a_100011933945_100000210202 [1,1,0,0,0,0|1,0,1]=4 2498 B12R1.16 C#CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000184674 [1,1,0,0,0,0|0,0,2]=4 2499 B12R1.16 C#CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000184674 [1,1,0,0,0,0|0,0,2]=4 2500 B12R1.16 C#CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000184674 [1,1,0,0,0,0|0,0,2]=4 2501 B12R1.16 C#CCC(=O)c1ccc(cc1)F 1458a_100000187176_100000184674 [1,1,0,0,0,0|0,0,2]=4 2502 B12R1.16 C#CCC(=O)c1ccc(cc1)I 1458a_100000187904_100000184674 [1,1,0,0,0,0|0,0,2]=4 2503 B12R1.16 C#CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000184674 [1,1,0,0,0,0|0,0,2]=4 2504 B12R1.16 C=CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210623 [1,1,0,0,0,0|0,0,2]=4 2505 B12R1.16 C=CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210623 [1,1,0,0,0,0|0,0,2]=4 2506 B12R1.16 C=CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210623 [1,1,0,0,0,0|0,0,2]=4 2507 B12R1.16 C=CCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210623 [1,1,0,0,0,0|0,0,2]=4 2508 B12R1.16 C=CCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210623 [1,1,0,0,0,0|0,0,2]=4 2509 B12R1.16 C=CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210623 [1,1,0,0,0,0|0,0,2]=4 2510 B12R1.16 CC#CC(=O)c1ccc(cc1)O 271570a_203496583355_100153741113 [1,1,0,0,0,0|0,0,2]=4 2511 B12R1.16 CCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210303 [1,1,0,0,0,0|0,0,0]=2 2512 B12R1.16 CCCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210303 [1,1,0,0,0,0|0,0,0]=2 2513 B12R1.16 CCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210303 [1,1,0,0,0,0|0,0,0]=2 2514 B12R1.16 CCCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210303 [1,1,0,0,0,0|0,0,0]=2 2515 B12R1.16 CCCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210303 [1,1,0,0,0,0|0,0,0]=2 2516 B12R1.16 CCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210303 [1,1,0,0,0,0|0,0,0]=2 2517 B12R1.16 CCCC(=O)c1ccc(cc1)O 271570a_203496583355_100011267722 [1,1,0,0,0,0|0,0,0]=2 2518 B12R1.16 CCCC(=O)c1ccc(nc1)O 271570a_203496583355_200012185933 [1,1,0,0,0,0|1,0,0]=3 2519 B12R1.16 CCCC(O)c1ccc(cc1)O 271570a_203496583355_100011350873 [1,1,0,0,0,0|0,0,2]=4 2520 B12R1.16 CCCN(C)c1ccc(cc1)Br 2230a_100000219623_100000210303 [1,1,0,0,0,0|2,0,0]=4 2521 B12R1.16 CCCN(C)c1ccc(cc1)Br 269982a_100000219623_100000210303 [1,1,0,0,0,0|2,0,0]=4 2522 B12R1.16 CCCN(C)c1ccc(cc1)Br 34a_100000219623_100000210303 [1,1,0,0,0,0|2,0,0]=4 2523 B12R1.16 CCCN(C)c1ccc(cc1)C 2230a_100000219977_100000210303 [1,1,0,0,0,0|2,0,0]=4 2524 B12R1.16 CCCN(C)c1ccc(cc1)C 269982a_100000219977_100000210303 [1,1,0,0,0,0|2,0,0]=4 2525 B12R1.16 CCCN(C)c1ccc(cc1)C 34a_100000219977_100000210303 [1,1,0,0,0,0|2,0,0]=4 2526 B12R1.16 CCCN(C)c1ccc(cc1)Cl 2230a_100020629279_100000210303 [1,1,0,0,0,0|2,0,0]=4 2527 B12R1.16 CCCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000210303 [1,1,0,0,0,0|2,0,0]=4 2528 B12R1.16 CCCN(C)c1ccc(cc1)Cl 34a_100020629279_100000210303 [1,1,0,0,0,0|2,0,0]=4 2529 B12R1.16 CCCN(C)c1ccc(cc1)F 2230a_100000219829_100000210303 [1,1,0,0,0,0|2,0,0]=4 2530 B12R1.16 CCCN(C)c1ccc(cc1)F 269982a_100000219829_100000210303 [1,1,0,0,0,0|2,0,0]=4 2531 B12R1.16 CCCN(C)c1ccc(cc1)F 34a_100000219829_100000210303 [1,1,0,0,0,0|2,0,0]=4 2532 B12R1.16 CCCN(C)c1ccc(cc1)I 2230a_100000743151_100000210303 [1,1,0,0,0,0|2,0,0]=4 2533 B12R1.16 CCCN(C)c1ccc(cc1)I 269982a_100000743151_100000210303 [1,1,0,0,0,0|2,0,0]=4 2534 B12R1.16 CCCN(C)c1ccc(cc1)I 34a_100000743151_100000210303 [1,1,0,0,0,0|2,0,0]=4 2535 B12R1.16 CCCN(C)c1ccc(cc1)O 269982a_100000182112_100000210303 [1,1,0,0,0,0|2,0,0]=4 2536 B12R1.16 CCCN(C)c1ccc(cc1)O 34a_100000182112_100000210303 [1,1,0,0,0,0|2,0,0]=4 2537 B12R1.16 CCNC(=O)c1ccc(cc1)Br 11a_100015525214_100000185839 [1,1,0,0,0,0|1,0,0]=3 2538 B12R1.16 CCNC(=O)c1ccc(cc1)Br 240690a_100015525214_100000185839 [1,1,0,0,0,0|1,0,0]=3 2539 B12R1.16 CCNC(=O)c1ccc(cc1)Br 527a_100015525214_100000185839 [1,1,0,0,0,0|1,0,0]=3 2540 B12R1.16 CCNC(=O)c1ccc(cc1)C 11a_100015525214_100000188618 [1,1,0,0,0,0|1,0,0]=3 2541 B12R1.16 CCNC(=O)c1ccc(cc1)C 240690a_100015525214_100000188618 [1,1,0,0,0,0|1,0,0]=3 2542 B12R1.16 CCNC(=O)c1ccc(cc1)C 527a_100015525214_100000188618 [1,1,0,0,0,0|1,0,0]=3 2543 B12R1.16 CCNC(=O)c1ccc(cc1)Cl 11a_100015525214_100000210187 [1,1,0,0,0,0|1,0,0]=3 2544 B12R1.16 CCNC(=O)c1ccc(cc1)Cl 240690a_100015525214_100000210187 [1,1,0,0,0,0|1,0,0]=3 2545 B12R1.16 CCNC(=O)c1ccc(cc1)Cl 527a_100015525214_100000210187 [1,1,0,0,0,0|1,0,0]=3 2546 B12R1.16 CCNC(=O)c1ccc(cc1)F 11a_100015525214_100000187176 [1,1,0,0,0,0|1,0,0]=3 2547 B12R1.16 CCNC(=O)c1ccc(cc1)F 240690a_100015525214_100000187176 [1,1,0,0,0,0|1,0,0]=3 2548 B12R1.16 CCNC(=O)c1ccc(cc1)F 527a_100015525214_100000187176 [1,1,0,0,0,0|1,0,0]=3 2549 B12R1.16 CCNC(=O)c1ccc(cc1)I 11a_100015525214_100000187904 [1,1,0,0,0,0|1,0,0]=3 2550 B12R1.16 CCNC(=O)c1ccc(cc1)I 240690a_100015525214_100000187904 [1,1,0,0,0,0|1,0,0]=3 2551 B12R1.16 CCNC(=O)c1ccc(cc1)I 527a_100015525214_100000187904 [1,1,0,0,0,0|1,0,0]=3 2552 B12R1.16 CCNC(=O)c1ccc(cc1)O 240690a_100015525214_100000212099 [1,1,0,0,0,0|1,0,0]=3 2553 B12R1.16 CCNC(=O)c1ccc(cc1)O 271570a_203496583355_100000155177 [1,1,0,0,0,0|1,0,0]=3 2554 B12R1.16 CCNC(=O)c1ccc(cc1)O 527a_100015525214_100000212099 [1,1,0,0,0,0|1,0,0]=3 2555 B12R1.16 CCNC(=O)c1ccc(cn1)O 271570a_203496583355_200011781264 [1,1,0,0,0,0|2,0,0]=4 2556 B12R1.16 CCNC(=O)c1ccc(nc1)O 271570a_203496583355_100000160145 [1,1,0,0,0,0|2,0,0]=4 2557 B12R1.16 CCOC(=O)c1ccc(cc1)O 271570a_203496583355_100000170077 [1,1,0,0,0,0|0,0,0]=2 2558 B12R1.16 CCOC(=O)c1ccc(cn1)O 271570a_203496583355_100011781174 [1,1,0,0,0,0|1,0,0]=3 2559 B12R1.16 CCOC(=O)c1ccc(nc1)O 271570a_203496583355_100000170224 [1,1,0,0,0,0|1,0,0]=3 2560 B12R1.16 CCOC(=O)c1ccc(nn1)O 271570a_203496583355_100011933454 [1,1,0,0,0,0|2,0,0]=4 2561 B12R1.16 CCOC(=O)c1cnc(cn1)O 271570a_203496583355_100000707868 [1,1,0,0,0,0|2,0,0]=4 2562 B12R1.16 CCOC(=O)c1cnc(nc1)O 271570a_203496583355_100011935661 [1,1,0,0,0,0|2,0,0]=4 2563 B12R1.16 CCOC(=O)c1ncc(cn1)O 271570a_203496583355_100010168878 [1,1,0,0,0,0|2,0,0]=4 2564 B12R1.16 CCOC(C)c1ccc(cc1)Br 34a_100000745893_100000210202 [1,1,0,0,0,0|1,0,1]=4 2565 B12R1.16 CCOC(C)c1ccc(cc1)Br 34a_100121572206_100000755118 [1,1,0,0,0,0|1,0,1]=4 2566 B12R1.16 CCOC(C)c1ccc(cc1)Br 7a_100000745893_100000210202 [1,1,0,0,0,0|1,0,1]=4 2567 B12R1.16 CCOC(C)c1ccc(cc1)C 34a_100121572206_100011261388 [1,1,0,0,0,0|1,0,1]=4 2568 B12R1.16 CCOC(C)c1ccc(cc1)F 34a_100000181323_100000210202 [1,1,0,0,0,0|1,0,1]=4 2569 B12R1.16 CCOC(C)c1ccc(cc1)F 34a_100121572206_100000743420 [1,1,0,0,0,0|1,0,1]=4 2570 B12R1.16 CCOC(C)c1ccc(cc1)F 7a_100000181323_100000210202 [1,1,0,0,0,0|1,0,1]=4 2571 B12R1.16 CCOC(C)c1ccc(cc1)N 34a_100011216399_100000210202 [1,1,0,0,0,0|1,0,1]=4 2572 B12R1.16 CCO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100000210202 [1,1,0,0,0,0|1,0,1]=4 2573 B12R1.16 CCO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100000210202 [1,1,0,0,0,0|1,0,1]=4 2574 B12R1.16 CCO[C@H](C)c1ccc(cc1)C 34a_100000690690_100000210202 [1,1,0,0,0,0|1,0,1]=4 2575 B12R1.16 CCO[C@H](C)c1ccc(cc1)C 7a_100000690690_100000210202 [1,1,0,0,0,0|1,0,1]=4 2576 B12R1.16 CNCC(=O)c1ccc(cc1)Br 34a_100102657272_100000188085 [1,1,0,0,0,0|1,0,0]=3 2577 B12R1.16 CNCC(=O)c1ccc(cc1)Br 7a_106832991635_100000188085 [1,1,0,0,0,0|1,0,0]=3 2578 B12R1.16 CNCC(=O)c1ccc(cc1)C 2230a_106832991635_100000211441 [1,1,0,0,0,0|1,0,0]=3 2579 B12R1.16 CNCC(=O)c1ccc(cc1)C 34a_100102657272_100000211441 [1,1,0,0,0,0|1,0,0]=3 2580 B12R1.16 CNCC(=O)c1ccc(cc1)C 7a_106832991635_100000211441 [1,1,0,0,0,0|1,0,0]=3 2581 B12R1.16 CNCC(=O)c1ccc(cc1)Cl 7a_106832991635_100000211071 [1,1,0,0,0,0|1,0,0]=3 2582 B12R1.16 CNCC(=O)c1ccc(cc1)F 7a_106832991635_100000211279 [1,1,0,0,0,0|1,0,0]=3 2583 B12R1.16 CNCC(=O)c1ccc(cc1)I 34a_100102657272_100011216261 [1,1,0,0,0,0|1,0,0]=3 2584 B12R1.16 CNCC(=O)c1ccc(cc1)I 7a_106832991635_100011216261 [1,1,0,0,0,0|1,0,0]=3 2585 B12R1.16 CNCC(=O)c1ccc(cc1)O 34a_100102657272_100009814261 [1,1,0,0,0,0|1,0,0]=3 2586 B12R1.16 CNCC(=O)c1ccc(cc1)O 7a_106832991635_100000018856 [1,1,0,0,0,0|1,0,0]=3 2587 B12R1.16 CNCC(=O)c1ccc(cn1)Cl 7a_106832991635_100016989621 [1,1,0,0,0,0|2,0,0]=4 2588 B12R1.16 CNNC(=O)c1ccc(cc1)Br 22a_100016993582_100000185839 [1,1,0,0,0,0|2,0,0]=4 2589 B12R1.16 CNNC(=O)c1ccc(cc1)C 22a_100016993582_100000188618 [1,1,0,0,0,0|2,0,0]=4 2590 B12R1.16 CNNC(=O)c1ccc(cc1)Cl 22a_100016993582_100000210187 [1,1,0,0,0,0|2,0,0]=4 2591 B12R1.16 CNNC(=O)c1ccc(cc1)F 22a_100016993582_100000187176 [1,1,0,0,0,0|2,0,0]=4 2592 B12R1.16 CNNC(=O)c1ccc(cc1)I 22a_100016993582_100000187904 [1,1,0,0,0,0|2,0,0]=4 2593 B12R1.16 CNNC(=O)c1ccc(cc1)O 22a_100016993582_100000212099 [1,1,0,0,0,0|2,0,0]=4 2594 B12R1.16 COCC(=O)c1ccc(cc1)Br 34a_100138415774_100000188085 [1,1,0,0,0,0|1,0,0]=3 2595 B12R1.16 COCC(=O)c1ccc(cc1)C 34a_100138415774_100000211441 [1,1,0,0,0,0|1,0,0]=3 2596 B12R1.16 COCC(=O)c1ccc(cc1)F 34a_100000246311_200000210301 [1,1,0,0,0,0|1,0,0]=3 2597 B12R1.16 COCC(=O)c1ccc(cc1)I 34a_100138415774_100011216261 [1,1,0,0,0,0|1,0,0]=3 2598 B12R1.16 COCC(=O)c1ccc(cc1)O 271570a_203496583355_200011343064 [1,1,0,0,0,0|1,0,0]=3 2599 B12R1.16 COCC(=O)c1ccc(cc1)O 34a_100138415774_100009814261 [1,1,0,0,0,0|1,0,0]=3 2600 B12R1.16 CSCC(=O)c1ccc(cc1)Br 62a_100000188085_200000210301 [1,1,0,0,0,0|1,0,0]=3 2601 B12R1.16 CSCC(=O)c1ccc(cc1)C 62a_100000211441_200000210301 [1,1,0,0,0,0|1,0,0]=3 2602 B12R1.16 CSCC(=O)c1ccc(cc1)C 62a_200000210301_100000211441 [1,1,0,0,0,0|1,0,0]=3 2603 B12R1.16 CSCC(=O)c1ccc(cc1)Cl 62a_100000211071_200000210301 [1,1,0,0,0,0|1,0,0]=3 2604 B12R1.16 CSCC(=O)c1ccc(cc1)Cl 62a_200000210301_100000211071 [1,1,0,0,0,0|1,0,0]=3 2605 B12R1.16 CSCC(=O)c1ccc(cc1)F 62a_100000211279_200000210301 [1,1,0,0,0,0|1,0,0]=3 2606 B12R1.16 CSCC(=O)c1ccc(cc1)F 62a_200000210301_100000211279 [1,1,0,0,0,0|1,0,0]=3 2607 B12R1.16 CSCC(=O)c1ccc(cc1)I 62a_100011216261_200000210301 [1,1,0,0,0,0|1,0,0]=3 2608 B12R1.16 CSCC(=O)c1ccc(cc1)I 62a_200000210301_100011216261 [1,1,0,0,0,0|1,0,0]=3 2609 B12R1.16 CSCC(=O)c1ccc(cc1)O 62a_100009814261_200000210301 [1,1,0,0,0,0|1,0,0]=3 2610 B12R1.16 CSCC(=O)c1ccc(cc1)O 62a_200000210301_100009814261 [1,1,0,0,0,0|1,0,0]=3 2611 B12R1.16 CSCC(=O)c1ccc(cn1)Cl 62a_100016989621_200000210301 [1,1,0,0,0,0|2,0,0]=4 2612 B12R1.16 CSCC(=O)c1ccc(cn1)Cl 62a_200000210301_100016989621 [1,1,0,0,0,0|2,0,0]=4 2613 B12R1.16 CSCC(=O)c1ccc(nc1)C 62a_100012027583_200000210301 [1,1,0,0,0,0|2,0,0]=4 2614 B12R1.16 CSCC(=O)c1ccc(nc1)C 62a_200000210301_100012027583 [1,1,0,0,0,0|2,0,0]=4 2615 B12R1.16 CSCC(=O)c1ccc(nc1)Cl 62a_100009864725_200000210301 [1,1,0,0,0,0|2,0,0]=4 2616 B12R1.16 CSCC(=O)c1ccc(nc1)Cl 62a_200000210301_100009864725 [1,1,0,0,0,0|2,0,0]=4 2617 B12R1.16 Cc1ccc(cc1)C(=O)CC#N 1458a_100000188618_100011214920 [1,1,0,0,0,0|1,0,1]=4 2618 B12R1.16 Cc1ccc(cc1)C(=O)CCF 1458a_100000188618_100011217306 [1,1,0,0,0,0|1,0,0]=3 2619 B12R1.16 Cc1ccc(cc1)C(=O)CCO 1458a_100000188618_100000211926 [1,1,0,0,0,0|1,0,0]=3 2620 B12R1.16 Cc1ccc(cc1)C(=O)CS[13CH3] 62a_100000211441_200025704644 [1,1,0,0,0,0|1,0,0]=3 2621 B12R1.16 Cc1ccc(cc1)C(=O)CS[13CH3] 62a_200025704644_100000211441 [1,1,0,0,0,0|1,0,0]=3 2622 B12R1.16 Cc1ccc(cn1)C(=O)CS[13CH3] 62a_100012027583_200025704644 [1,1,0,0,0,0|2,0,0]=4 2623 B12R1.16 Cc1ccc(cn1)C(=O)CS[13CH3] 62a_200025704644_100012027583 [1,1,0,0,0,0|2,0,0]=4 2624 B12R1.16 N#CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100011214920 [1,1,0,0,0,0|1,0,1]=4 2625 B12R1.16 N#CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100011214920 [1,1,0,0,0,0|1,0,1]=4 2626 B12R1.16 N#CCC(=O)c1ccc(cc1)F 1458a_100000187176_100011214920 [1,1,0,0,0,0|1,0,1]=4 2627 B12R1.16 N#CCC(=O)c1ccc(cc1)I 1458a_100000187904_100011214920 [1,1,0,0,0,0|1,0,1]=4 2628 B12R1.16 N#CCC(=O)c1ccc(cc1)O 1458a_100000212099_100011214920 [1,1,0,0,0,0|1,0,1]=4 2629 B12R1.16 N#CCC(=O)c1ccc(cc1)O 271570a_203496583355_100000740217 [1,1,0,0,0,0|1,0,1]=4 2630 B12R1.16 O=C(CCF)c1ccc(cc1)Br 1458a_100000185839_100011217306 [1,1,0,0,0,0|1,0,0]=3 2631 B12R1.16 O=C(CCF)c1ccc(cc1)Cl 1458a_100000210187_100011217306 [1,1,0,0,0,0|1,0,0]=3 2632 B12R1.16 O=C(CCF)c1ccc(cc1)F 1458a_100000187176_100011217306 [1,1,0,0,0,0|1,0,0]=3 2633 B12R1.16 O=C(CCF)c1ccc(cc1)I 1458a_100000187904_100011217306 [1,1,0,0,0,0|1,0,0]=3 2634 B12R1.16 O=C(CCF)c1ccc(cc1)O 1458a_100000212099_100011217306 [1,1,0,0,0,0|1,0,0]=3 2635 B12R1.16 O=C(CCO)c1ccc(cc1)Br 1458a_100000185839_100000211926 [1,1,0,0,0,0|1,0,0]=3 2636 B12R1.16 O=C(CCO)c1ccc(cc1)Cl 1458a_100000210187_100000211926 [1,1,0,0,0,0|1,0,0]=3 2637 B12R1.16 O=C(CCO)c1ccc(cc1)F 1458a_100000187176_100000211926 [1,1,0,0,0,0|1,0,0]=3 2638 B12R1.16 O=C(CCO)c1ccc(cc1)I 1458a_100000187904_100000211926 [1,1,0,0,0,0|1,0,0]=3 2639 B12R1.16 O=C(CCO)c1ccc(cc1)O 1458a_100000212099_100000211926 [1,1,0,0,0,0|1,0,0]=3 2640 B12R1.16 [13CH3]OCC(=O)c1ccc(cc1)F 34a_100000246311_200025704644 [1,1,0,0,0,0|1,0,0]=3 2641 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)Br 62a_100000188085_200025704644 [1,1,0,0,0,0|1,0,0]=3 2642 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)Cl 62a_100000211071_200025704644 [1,1,0,0,0,0|1,0,0]=3 2643 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)Cl 62a_200025704644_100000211071 [1,1,0,0,0,0|1,0,0]=3 2644 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)F 62a_100000211279_200025704644 [1,1,0,0,0,0|1,0,0]=3 2645 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)F 62a_200025704644_100000211279 [1,1,0,0,0,0|1,0,0]=3 2646 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)I 62a_100011216261_200025704644 [1,1,0,0,0,0|1,0,0]=3 2647 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)I 62a_200025704644_100011216261 [1,1,0,0,0,0|1,0,0]=3 2648 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)O 62a_100009814261_200025704644 [1,1,0,0,0,0|1,0,0]=3 2649 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)O 62a_200025704644_100009814261 [1,1,0,0,0,0|1,0,0]=3 2650 B12R1.16 [13CH3]SCC(=O)c1ccc(cn1)Cl 62a_100016989621_200025704644 [1,1,0,0,0,0|2,0,0]=4 2651 B12R1.16 [13CH3]SCC(=O)c1ccc(cn1)Cl 62a_200025704644_100016989621 [1,1,0,0,0,0|2,0,0]=4 2652 B12R1.16 [13CH3]SCC(=O)c1ccc(nc1)Cl 62a_100009864725_200025704644 [1,1,0,0,0,0|2,0,0]=4 2653 B12R1.16 [13CH3]SCC(=O)c1ccc(nc1)Cl 62a_200025704644_100009864725 [1,1,0,0,0,0|2,0,0]=4 2654 B12R1.16 [2H]C(OCC)c1ccc(cc1)F 34a_217856618577_100000210202 [1,1,0,0,0,0|1,0,1]=4 2655 B12R1.16 [2H]C(OCC)c1ccc(cc1)F 7a_217856618577_100000210202 [1,1,0,0,0,0|1,0,1]=4 2656 B12R1.17 C#CCC(=O)c1cccc(c1)Br 1458a_100000210664_100000184674 [1,1,0,0,0,0|0,0,2]=4 2657 B12R1.17 C#CCC(=O)c1cccc(c1)C 1458a_100000189346_100000184674 [1,1,0,0,0,0|0,0,2]=4 2658 B12R1.17 C#CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000184674 [1,1,0,0,0,0|0,0,2]=4 2659 B12R1.17 C#CCC(=O)c1cccc(c1)F 1458a_100000210950_100000184674 [1,1,0,0,0,0|0,0,2]=4 2660 B12R1.17 C#CCC(=O)c1cccc(c1)I 1458a_100000184098_100000184674 [1,1,0,0,0,0|0,0,2]=4 2661 B12R1.17 C#CCC(=O)c1cccc(c1)O 1458a_100000183914_100000184674 [1,1,0,0,0,0|0,0,2]=4 2662 B12R1.17 C=CCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210623 [1,1,0,0,0,0|0,0,2]=4 2663 B12R1.17 C=CCC(=O)c1cccc(c1)C 1458a_100000189346_100000210623 [1,1,0,0,0,0|0,0,2]=4 2664 B12R1.17 C=CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210623 [1,1,0,0,0,0|0,0,2]=4 2665 B12R1.17 C=CCC(=O)c1cccc(c1)F 1458a_100000210950_100000210623 [1,1,0,0,0,0|0,0,2]=4 2666 B12R1.17 C=CCC(=O)c1cccc(c1)I 1458a_100000184098_100000210623 [1,1,0,0,0,0|0,0,2]=4 2667 B12R1.17 C=CCC(=O)c1cccc(c1)O 1458a_100000183914_100000210623 [1,1,0,0,0,0|0,0,2]=4 2668 B12R1.17 CCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210303 [1,1,0,0,0,0|0,0,0]=2 2669 B12R1.17 CCCC(=O)c1cccc(c1)C 1458a_100000189346_100000210303 [1,1,0,0,0,0|0,0,0]=2 2670 B12R1.17 CCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210303 [1,1,0,0,0,0|0,0,0]=2 2671 B12R1.17 CCCC(=O)c1cccc(c1)F 1458a_100000210950_100000210303 [1,1,0,0,0,0|0,0,0]=2 2672 B12R1.17 CCCC(=O)c1cccc(c1)I 1458a_100000184098_100000210303 [1,1,0,0,0,0|0,0,0]=2 2673 B12R1.17 CCCC(=O)c1cccc(c1)O 1458a_100000183914_100000210303 [1,1,0,0,0,0|0,0,0]=2 2674 B12R1.17 CCCN(C)c1cccc(c1)Br 2230a_100000219648_100000210303 [1,1,0,0,0,0|2,0,0]=4 2675 B12R1.17 CCCN(C)c1cccc(c1)Br 269982a_100000219648_100000210303 [1,1,0,0,0,0|2,0,0]=4 2676 B12R1.17 CCCN(C)c1cccc(c1)Br 34a_100000219648_100000210303 [1,1,0,0,0,0|2,0,0]=4 2677 B12R1.17 CCCN(C)c1cccc(c1)C 2230a_100000219674_100000210303 [1,1,0,0,0,0|2,0,0]=4 2678 B12R1.17 CCCN(C)c1cccc(c1)C 269982a_100000219674_100000210303 [1,1,0,0,0,0|2,0,0]=4 2679 B12R1.17 CCCN(C)c1cccc(c1)C 34a_100000219674_100000210303 [1,1,0,0,0,0|2,0,0]=4 2680 B12R1.17 CCCN(C)c1cccc(c1)Cl 2230a_100000220044_100000210303 [1,1,0,0,0,0|2,0,0]=4 2681 B12R1.17 CCCN(C)c1cccc(c1)Cl 269982a_100000220044_100000210303 [1,1,0,0,0,0|2,0,0]=4 2682 B12R1.17 CCCN(C)c1cccc(c1)Cl 34a_100000220044_100000210303 [1,1,0,0,0,0|2,0,0]=4 2683 B12R1.17 CCCN(C)c1cccc(c1)F 2230a_100020633736_100000210303 [1,1,0,0,0,0|2,0,0]=4 2684 B12R1.17 CCCN(C)c1cccc(c1)F 269982a_100020633736_100000210303 [1,1,0,0,0,0|2,0,0]=4 2685 B12R1.17 CCCN(C)c1cccc(c1)F 34a_100020633736_100000210303 [1,1,0,0,0,0|2,0,0]=4 2686 B12R1.17 CCCN(C)c1cccc(c1)I 2230a_100000221217_100000210303 [1,1,0,0,0,0|2,0,0]=4 2687 B12R1.17 CCCN(C)c1cccc(c1)I 269982a_100000221217_100000210303 [1,1,0,0,0,0|2,0,0]=4 2688 B12R1.17 CCCN(C)c1cccc(c1)I 34a_100000221217_100000210303 [1,1,0,0,0,0|2,0,0]=4 2689 B12R1.17 CCCN(C)c1cccc(c1)O 2230a_100000756613_100000210303 [1,1,0,0,0,0|2,0,0]=4 2690 B12R1.17 CCCN(C)c1cccc(c1)O 269982a_100000756613_100000210303 [1,1,0,0,0,0|2,0,0]=4 2691 B12R1.17 CCCN(C)c1cccc(c1)O 34a_100000756613_100000210303 [1,1,0,0,0,0|2,0,0]=4 2692 B12R1.17 CCNC(=O)c1cc(ccn1)O 271570a_203496583355_100000194128 [1,1,0,0,0,0|2,0,0]=4 2693 B12R1.17 CCNC(=O)c1cccc(c1)Br 11a_100015525214_100000210664 [1,1,0,0,0,0|1,0,0]=3 2694 B12R1.17 CCNC(=O)c1cccc(c1)Br 240690a_100015525214_100000210664 [1,1,0,0,0,0|1,0,0]=3 2695 B12R1.17 CCNC(=O)c1cccc(c1)Br 527a_100015525214_100000210664 [1,1,0,0,0,0|1,0,0]=3 2696 B12R1.17 CCNC(=O)c1cccc(c1)C 11a_100015525214_100000189346 [1,1,0,0,0,0|1,0,0]=3 2697 B12R1.17 CCNC(=O)c1cccc(c1)C 240690a_100015525214_100000189346 [1,1,0,0,0,0|1,0,0]=3 2698 B12R1.17 CCNC(=O)c1cccc(c1)C 527a_100015525214_100000189346 [1,1,0,0,0,0|1,0,0]=3 2699 B12R1.17 CCNC(=O)c1cccc(c1)Cl 11a_100015525214_100000210390 [1,1,0,0,0,0|1,0,0]=3 2700 B12R1.17 CCNC(=O)c1cccc(c1)Cl 240690a_100015525214_100000210390 [1,1,0,0,0,0|1,0,0]=3 2701 B12R1.17 CCNC(=O)c1cccc(c1)Cl 527a_100015525214_100000210390 [1,1,0,0,0,0|1,0,0]=3 2702 B12R1.17 CCNC(=O)c1cccc(c1)F 11a_100015525214_100000210950 [1,1,0,0,0,0|1,0,0]=3 2703 B12R1.17 CCNC(=O)c1cccc(c1)F 240690a_100015525214_100000210950 [1,1,0,0,0,0|1,0,0]=3 2704 B12R1.17 CCNC(=O)c1cccc(c1)F 527a_100015525214_100000210950 [1,1,0,0,0,0|1,0,0]=3 2705 B12R1.17 CCNC(=O)c1cccc(c1)I 11a_100015525214_100000184098 [1,1,0,0,0,0|1,0,0]=3 2706 B12R1.17 CCNC(=O)c1cccc(c1)I 240690a_100015525214_100000184098 [1,1,0,0,0,0|1,0,0]=3 2707 B12R1.17 CCNC(=O)c1cccc(c1)I 527a_100015525214_100000184098 [1,1,0,0,0,0|1,0,0]=3 2708 B12R1.17 CCNC(=O)c1cccc(c1)O 240690a_100015525214_100000183914 [1,1,0,0,0,0|1,0,0]=3 2709 B12R1.17 CCNC(=O)c1cccc(c1)O 271570a_203496583355_100000155180 [1,1,0,0,0,0|1,0,0]=3 2710 B12R1.17 CCNC(=O)c1cccc(c1)O 527a_100015525214_100000183914 [1,1,0,0,0,0|1,0,0]=3 2711 B12R1.17 CCNC(=O)c1ccnc(c1)O 271570a_203496583355_100000229823 [1,1,0,0,0,0|2,0,0]=4 2712 B12R1.17 CCNC(=O)c1cncc(c1)O 271570a_203496583355_200000155184 [1,1,0,0,0,0|2,0,0]=4 2713 B12R1.17 CCOC(=O)c1cc(ccn1)O 271570a_203496583355_100010210110 [1,1,0,0,0,0|1,0,0]=3 2714 B12R1.17 CCOC(=O)c1cc(ncn1)O 271570a_203496583355_100009878719 [1,1,0,0,0,0|2,0,0]=4 2715 B12R1.17 CCOC(=O)c1cccc(c1)O 271570a_203496583355_100000170211 [1,1,0,0,0,0|0,0,0]=2 2716 B12R1.17 CCOC(=O)c1cccc(n1)O 271570a_203496583355_100000695914 [1,1,0,0,0,0|1,0,0]=3 2717 B12R1.17 CCOC(=O)c1ccnc(c1)O 271570a_203496583355_100011213083 [1,1,0,0,0,0|1,0,0]=3 2718 B12R1.17 CCOC(=O)c1ccnc(n1)O 271570a_203496583355_100000087789 [1,1,0,0,0,0|2,0,0]=4 2719 B12R1.17 CCOC(=O)c1cncc(c1)O 271570a_203496583355_100000170250 [1,1,0,0,0,0|1,0,0]=3 2720 B12R1.17 CCOC(=O)c1cncc(n1)O 271570a_203496583355_100012185986 [1,1,0,0,0,0|2,0,0]=4 2721 B12R1.17 CCOC(=O)c1cnnc(c1)O 271570a_203496583355_100009853686 [1,1,0,0,0,0|2,0,0]=4 2722 B12R1.17 CCOC(C)c1cccc(c1)Br 34a_100000246457_100000210202 [1,1,0,0,0,0|1,0,1]=4 2723 B12R1.17 CCOC(C)c1cccc(c1)Br 7a_100000246457_100000210202 [1,1,0,0,0,0|1,0,1]=4 2724 B12R1.17 CCOC(C)c1cccc(c1)C 34a_100000757818_100000210202 [1,1,0,0,0,0|1,0,1]=4 2725 B12R1.17 CCOC(C)c1cccc(c1)C 7a_100000757818_100000210202 [1,1,0,0,0,0|1,0,1]=4 2726 B12R1.17 CCOC(C)c1cccc(c1)F 34a_100000744526_100000210202 [1,1,0,0,0,0|1,0,1]=4 2727 B12R1.17 CCOC(C)c1cccc(c1)F 7a_100000744526_100000210202 [1,1,0,0,0,0|1,0,1]=4 2728 B12R1.17 CCOC(C)c1cccc(c1)I 34a_100013085317_100000210202 [1,1,0,0,0,0|1,0,1]=4 2729 B12R1.17 CCOC(C)c1cccc(c1)I 7a_100013085317_100000210202 [1,1,0,0,0,0|1,0,1]=4 2730 B12R1.17 CCOC(C)c1cccc(c1)N 34a_100011217120_100000210202 [1,1,0,0,0,0|1,0,1]=4 2731 B12R1.17 CCOC(C)c1cccc(c1)N 7a_100011217120_100000210202 [1,1,0,0,0,0|1,0,1]=4 2732 B12R1.17 CCO[C@H](C)c1cccc(c1)Cl 34a_100000747380_100000210202 [1,1,0,0,0,0|1,0,1]=4 2733 B12R1.17 CCO[C@H](C)c1cccc(c1)Cl 7a_100000747380_100000210202 [1,1,0,0,0,0|1,0,1]=4 2734 B12R1.17 CNCC(=O)c1cccc(c1)Br 2230a_106832991635_100000212080 [1,1,0,0,0,0|1,0,0]=3 2735 B12R1.17 CNCC(=O)c1cccc(c1)Br 34a_100102657272_100000212080 [1,1,0,0,0,0|1,0,0]=3 2736 B12R1.17 CNCC(=O)c1cccc(c1)Br 7a_106832991635_100000212080 [1,1,0,0,0,0|1,0,0]=3 2737 B12R1.17 CNCC(=O)c1cccc(c1)C 2230a_106832991635_100000739480 [1,1,0,0,0,0|1,0,0]=3 2738 B12R1.17 CNCC(=O)c1cccc(c1)C 34a_100102657272_100000739480 [1,1,0,0,0,0|1,0,0]=3 2739 B12R1.17 CNCC(=O)c1cccc(c1)C 7a_106832991635_100000739480 [1,1,0,0,0,0|1,0,0]=3 2740 B12R1.17 CNCC(=O)c1cccc(c1)Cl 2230a_106832991635_100000211444 [1,1,0,0,0,0|1,0,0]=3 2741 B12R1.17 CNCC(=O)c1cccc(c1)Cl 34a_100102657272_100000211444 [1,1,0,0,0,0|1,0,0]=3 2742 B12R1.17 CNCC(=O)c1cccc(c1)Cl 7a_106832991635_100000211444 [1,1,0,0,0,0|1,0,0]=3 2743 B12R1.17 CNCC(=O)c1cccc(c1)F 2230a_106832991635_100000215616 [1,1,0,0,0,0|1,0,0]=3 2744 B12R1.17 CNCC(=O)c1cccc(c1)F 34a_100102657272_100000215616 [1,1,0,0,0,0|1,0,0]=3 2745 B12R1.17 CNCC(=O)c1cccc(c1)O 34a_100102657272_100009813753 [1,1,0,0,0,0|1,0,0]=3 2746 B12R1.17 CNCC(=O)c1cccc(c1)O 7a_106832991635_100009813753 [1,1,0,0,0,0|1,0,0]=3 2747 B12R1.17 CNNC(=O)c1cccc(c1)Br 22a_100016993582_100000210664 [1,1,0,0,0,0|2,0,0]=4 2748 B12R1.17 CNNC(=O)c1cccc(c1)C 22a_100016993582_100000189346 [1,1,0,0,0,0|2,0,0]=4 2749 B12R1.17 CNNC(=O)c1cccc(c1)Cl 22a_100016993582_100000210390 [1,1,0,0,0,0|2,0,0]=4 2750 B12R1.17 CNNC(=O)c1cccc(c1)F 22a_100016993582_100000210950 [1,1,0,0,0,0|2,0,0]=4 2751 B12R1.17 CNNC(=O)c1cccc(c1)I 22a_100016993582_100000184098 [1,1,0,0,0,0|2,0,0]=4 2752 B12R1.17 CNNC(=O)c1cccc(c1)O 22a_100016993582_100000183914 [1,1,0,0,0,0|2,0,0]=4 2753 B12R1.17 COCC(=O)c1cccc(c1)Br 34a_100138415774_100000212080 [1,1,0,0,0,0|1,0,0]=3 2754 B12R1.17 COCC(=O)c1cccc(c1)C 34a_100138415774_100000739480 [1,1,0,0,0,0|1,0,0]=3 2755 B12R1.17 COCC(=O)c1cccc(c1)Cl 34a_100138415774_100000211444 [1,1,0,0,0,0|1,0,0]=3 2756 B12R1.17 COCC(=O)c1cccc(c1)Cl 7a_200011592804_200000210301 [1,1,0,0,0,0|1,0,0]=3 2757 B12R1.17 COCC(=O)c1cccc(c1)F 34a_100011592800_200000210301 [1,1,0,0,0,0|1,0,0]=3 2758 B12R1.17 COCC(=O)c1cccc(c1)F 34a_100138415774_100000215616 [1,1,0,0,0,0|1,0,0]=3 2759 B12R1.17 COCC(=O)c1cccc(c1)F 7a_100011592800_200000210301 [1,1,0,0,0,0|1,0,0]=3 2760 B12R1.17 COCC(=O)c1cccc(c1)O 34a_100138415774_100009813753 [1,1,0,0,0,0|1,0,0]=3 2761 B12R1.17 CSCC(=O)c1cccc(c1)Br 62a_100000212080_200000210301 [1,1,0,0,0,0|1,0,0]=3 2762 B12R1.17 CSCC(=O)c1cccc(c1)Br 62a_200000210301_100000212080 [1,1,0,0,0,0|1,0,0]=3 2763 B12R1.17 CSCC(=O)c1cccc(c1)C 62a_100000739480_200000210301 [1,1,0,0,0,0|1,0,0]=3 2764 B12R1.17 CSCC(=O)c1cccc(c1)C 62a_200000210301_100000739480 [1,1,0,0,0,0|1,0,0]=3 2765 B12R1.17 CSCC(=O)c1cccc(c1)Cl 62a_100000211444_200000210301 [1,1,0,0,0,0|1,0,0]=3 2766 B12R1.17 CSCC(=O)c1cccc(c1)Cl 62a_200000210301_100000211444 [1,1,0,0,0,0|1,0,0]=3 2767 B12R1.17 CSCC(=O)c1cccc(c1)F 62a_100000215616_200000210301 [1,1,0,0,0,0|1,0,0]=3 2768 B12R1.17 CSCC(=O)c1cccc(c1)F 62a_200000210301_100000215616 [1,1,0,0,0,0|1,0,0]=3 2769 B12R1.17 CSCC(=O)c1cccc(c1)O 62a_100009813753_200000210301 [1,1,0,0,0,0|1,0,0]=3 2770 B12R1.17 CSCC(=O)c1cccc(c1)O 62a_200000210301_100009813753 [1,1,0,0,0,0|1,0,0]=3 2771 B12R1.17 CSCC(=O)c1ccnc(c1)Cl 62a_100009817076_200000210301 [1,1,0,0,0,0|2,0,0]=4 2772 B12R1.17 CSCC(=O)c1ccnc(c1)Cl 62a_200000210301_100009817076 [1,1,0,0,0,0|2,0,0]=4 2773 B12R1.17 Cc1cccc(c1)C(=O)CC#N 1458a_100000189346_100011214920 [1,1,0,0,0,0|1,0,1]=4 2774 B12R1.17 Cc1cccc(c1)C(=O)CCF 1458a_100000189346_100011217306 [1,1,0,0,0,0|1,0,0]=3 2775 B12R1.17 Cc1cccc(c1)C(=O)CCO 1458a_100000189346_100000211926 [1,1,0,0,0,0|1,0,0]=3 2776 B12R1.17 Cc1cccc(c1)C(=O)CS[13CH3] 62a_100000739480_200025704644 [1,1,0,0,0,0|1,0,0]=3 2777 B12R1.17 Cc1cccc(c1)C(=O)CS[13CH3] 62a_200025704644_100000739480 [1,1,0,0,0,0|1,0,0]=3 2778 B12R1.17 N#CCC(=O)c1cccc(c1)Br 1458a_100000210664_100011214920 [1,1,0,0,0,0|1,0,1]=4 2779 B12R1.17 N#CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100011214920 [1,1,0,0,0,0|1,0,1]=4 2780 B12R1.17 N#CCC(=O)c1cccc(c1)F 1458a_100000210950_100011214920 [1,1,0,0,0,0|1,0,1]=4 2781 B12R1.17 N#CCC(=O)c1cccc(c1)I 1458a_100000184098_100011214920 [1,1,0,0,0,0|1,0,1]=4 2782 B12R1.17 N#CCC(=O)c1cccc(c1)O 1458a_100000183914_100011214920 [1,1,0,0,0,0|1,0,1]=4 2783 B12R1.17 N#CCC(=O)c1cccc(c1)O 271570a_203496583355_100000740218 [1,1,0,0,0,0|1,0,1]=4 2784 B12R1.17 O=C(CCF)c1cccc(c1)Br 1458a_100000210664_100011217306 [1,1,0,0,0,0|1,0,0]=3 2785 B12R1.17 O=C(CCF)c1cccc(c1)Cl 1458a_100000210390_100011217306 [1,1,0,0,0,0|1,0,0]=3 2786 B12R1.17 O=C(CCF)c1cccc(c1)F 1458a_100000210950_100011217306 [1,1,0,0,0,0|1,0,0]=3 2787 B12R1.17 O=C(CCF)c1cccc(c1)I 1458a_100000184098_100011217306 [1,1,0,0,0,0|1,0,0]=3 2788 B12R1.17 O=C(CCF)c1cccc(c1)O 1458a_100000183914_100011217306 [1,1,0,0,0,0|1,0,0]=3 2789 B12R1.17 O=C(CCO)c1cccc(c1)Br 1458a_100000210664_100000211926 [1,1,0,0,0,0|1,0,0]=3 2790 B12R1.17 O=C(CCO)c1cccc(c1)Cl 1458a_100000210390_100000211926 [1,1,0,0,0,0|1,0,0]=3 2791 B12R1.17 O=C(CCO)c1cccc(c1)F 1458a_100000210950_100000211926 [1,1,0,0,0,0|1,0,0]=3 2792 B12R1.17 O=C(CCO)c1cccc(c1)I 1458a_100000184098_100000211926 [1,1,0,0,0,0|1,0,0]=3 2793 B12R1.17 O=C(CCO)c1cccc(c1)O 1458a_100000183914_100000211926 [1,1,0,0,0,0|1,0,0]=3 2794 B12R1.17 [13CH3]OCC(=O)c1cccc(c1)Cl 7a_200011592804_200025704644 [1,1,0,0,0,0|1,0,0]=3 2795 B12R1.17 [13CH3]OCC(=O)c1cccc(c1)F 34a_100011592800_200025704644 [1,1,0,0,0,0|1,0,0]=3 2796 B12R1.17 [13CH3]OCC(=O)c1cccc(c1)F 7a_100011592800_200025704644 [1,1,0,0,0,0|1,0,0]=3 2797 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)Br 62a_100000212080_200025704644 [1,1,0,0,0,0|1,0,0]=3 2798 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)Br 62a_200025704644_100000212080 [1,1,0,0,0,0|1,0,0]=3 2799 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)Cl 62a_100000211444_200025704644 [1,1,0,0,0,0|1,0,0]=3 2800 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)Cl 62a_200025704644_100000211444 [1,1,0,0,0,0|1,0,0]=3 2801 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)F 62a_100000215616_200025704644 [1,1,0,0,0,0|1,0,0]=3 2802 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)F 62a_200025704644_100000215616 [1,1,0,0,0,0|1,0,0]=3 2803 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)O 62a_100009813753_200025704644 [1,1,0,0,0,0|1,0,0]=3 2804 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)O 62a_200025704644_100009813753 [1,1,0,0,0,0|1,0,0]=3 2805 B12R1.17 [13CH3]SCC(=O)c1ccnc(c1)Cl 62a_100009817076_200025704644 [1,1,0,0,0,0|2,0,0]=4 2806 B12R1.17 [13CH3]SCC(=O)c1ccnc(c1)Cl 62a_200025704644_100009817076 [1,1,0,0,0,0|2,0,0]=4 2807 B12R1.34 C#CC(C)C(=O)c1ccccc1 1458a_100000185807_200000035995 [1,1,0,0,0,0|0,0,2]=4 2808 B12R1.34 C=C(C(=O)CC)c1ccccc1 1458a_100000065200_100000210202 [1,1,0,0,0,0|1,0,1]=4 2809 B12R1.34 CC(C#N)C(=O)c1ccccc1 1458a_100000185807_100000703298 [1,1,0,0,0,0|1,0,1]=4 2810 B12R1.34 CC(S[13CH3])C(=O)c1ccccc1 62a_100000239700_200025704644 [1,1,0,0,0,0|1,0,0]=3 2811 B12R1.34 CC(S[13CH3])C(=O)c1ccccc1 62a_200025704644_100000239700 [1,1,0,0,0,0|1,0,0]=3 2812 B12R1.34 CCC(C)C(=O)c1ccccc1 1458a_100000185807_100000758301 [1,1,0,0,0,0|0,0,0]=2 2813 B12R1.34 CCC(C)N(C)c1ccccc1 2230a_100000210012_100000758301 [1,1,0,0,0,0|2,0,0]=4 2814 B12R1.34 CCC(C)N(C)c1ccccc1 269982a_100000210012_100000758301 [1,1,0,0,0,0|2,0,0]=4 2815 B12R1.34 CCC(C)N(C)c1ccccc1 34a_100000210012_100011215416 [1,1,0,0,0,0|2,0,0]=4 2816 B12R1.34 CCN(C)C(=O)c1ccccc1 11a_100000225621_100000185807 [1,1,0,0,0,0|1,0,0]=3 2817 B12R1.34 CCN(C)C(=O)c1ccccc1 1626a_100000225621_100000185807 [1,1,0,0,0,0|1,0,0]=3 2818 B12R1.34 CCN(C)C(=O)c1ccccc1 240690a_100000225621_100000185807 [1,1,0,0,0,0|1,0,0]=3 2819 B12R1.34 CCN(C)C(=O)c1ccccc1 527a_100000225621_100000185807 [1,1,0,0,0,0|1,0,0]=3 2820 B12R1.34 CNC(C)C(=O)c1ccccc1 2230a_106832991635_100000239700 [1,1,0,0,0,0|1,0,0]=3 2821 B12R1.34 CNC(C)C(=O)c1ccccc1 7a_106832991635_100000239700 [1,1,0,0,0,0|1,0,0]=3 2822 B12R1.34 CSC(C)C(=O)c1ccccc1 62a_100000239700_200000210301 [1,1,0,0,0,0|1,0,0]=3 2823 B12R1.34 CSC(C)C(=O)c1ccccc1 62a_200000210301_100000239700 [1,1,0,0,0,0|1,0,0]=3 2824 B12R1.39 CCNS(=O)(=O)c1ccccc1 270084a_100015525214_100000210345 [1,1,0,0,0,0|2,0,0]=4 2825 B12R1.39 CCNS(=O)(=O)c1ccccc1 274078a_100015525214_100000210345 [1,1,0,0,0,0|2,0,0]=4 2826 B12R1.39 CCNS(=O)(=O)c1ccccc1 40a_100015525214_100000032697 [1,1,0,0,0,0|2,0,0]=4 2827 B12R1.39 CCOC(C)(C)c1ccccc1 7a_100000694644_100000210202 [1,1,0,0,0,0|1,0,1]=4 2828 B12R1.39 CNCS(=O)(=O)c1ccccc1 34a_100102657272_200009813291 [1,1,0,0,0,0|2,0,0]=4 2829 B12R1.39 COCS(=O)(=O)c1ccccc1 34a_100138415774_200009813291 [1,1,0,0,0,0|2,0,0]=4 2830 B12R1.39 CSCS(=O)(=O)c1ccccc1 62a_100000240042_200000210301 [1,1,0,0,0,0|2,0,0]=4 2831 B12R1.39 CSCS(=O)(=O)c1ccccc1 62a_200000210301_100000240042 [1,1,0,0,0,0|2,0,0]=4 2832 B12R1.39 [13CH3]SCS(=O)(=O)c1ccccc1 62a_100000240042_200025704644 [1,1,0,0,0,0|2,0,0]=4 2833 B12R1.39 [13CH3]SCS(=O)(=O)c1ccccc1 62a_200025704644_100000240042 [1,1,0,0,0,0|2,0,0]=4 2834 B12R1.107 C=C(C)CC(=O)c1ccccc1 1458a_100000185807_100000748629 [1,1,0,0,0,0|0,0,1]=3 2835 B12R1.107 C=C(F)CC(=O)c1ccccc1 1458a_100000185807_100009893438 [1,1,0,0,0,0|0,0,2]=4 2836 B12R1.107 CC(=O)CC(=O)c1ccccc1 1458a_100000070787_100000211460 [1,1,0,0,0,0|0,0,1]=3 2837 B12R1.107 CC(=O)CC(=O)c1ccccn1 1458a_100000070787_100000027445 [1,1,0,0,0,0|1,0,1]=4 2838 B12R1.107 CC(=O)CC(=O)c1cccnc1 1458a_100000070787_100015188593 [1,1,0,0,0,0|1,0,1]=4 2839 B12R1.107 CC(=O)CC(=O)c1ccncc1 1458a_100000070787_100000027454 [1,1,0,0,0,0|1,0,1]=4 2840 B12R1.107 CC(C)CC(=O)c1ccccc1 1458a_100000185807_100000210624 [1,1,0,0,0,0|0,0,0]=2 2841 B12R1.107 CC(C)CN(C)c1ccccc1 2230a_100000210012_100000210760 [1,1,0,0,0,0|2,0,0]=4 2842 B12R1.107 CC(C)CN(C)c1ccccc1 269982a_100000210012_100000210624 [1,1,0,0,0,0|2,0,0]=4 2843 B12R1.107 CC(C)CN(C)c1ccccc1 34a_100000210012_100000210624 [1,1,0,0,0,0|2,0,0]=4 2844 B12R1.107 CC(C)C[C@H](N)c1ccccc1 271570a_100015190218_100000210277 [1,1,0,0,0,0|1,0,1]=4 2845 B12R1.107 CC(C)NC(=O)c1ccccc1 11a_100138425928_100000185807 [1,1,0,0,0,0|1,0,0]=3 2846 B12R1.107 CC(C)NC(=O)c1ccccc1 1626a_100138425928_100000185807 [1,1,0,0,0,0|1,0,0]=3 2847 B12R1.107 CC(C)NC(=O)c1ccccc1 240690a_100138425928_100000185807 [1,1,0,0,0,0|1,0,0]=3 2848 B12R1.107 CC(C)NC(=O)c1ccccc1 527a_100138425928_100000185807 [1,1,0,0,0,0|1,0,0]=3 2849 B12R1.107 CC(C)OC(C)c1ccccc1 34a_100000212225_100000211855 [1,1,0,0,0,0|1,0,1]=4 2850 B12R1.107 CC(C)O[C@H](C)c1ccccc1 34a_100000761318_100000210206 [1,1,0,0,0,0|1,0,1]=4 2851 B12R1.107 CC(C)O[C@H](C)c1ccccc1 7a_100000761318_100000210206 [1,1,0,0,0,0|1,0,1]=4 2852 B12R1.107 CC(O)CC(=O)c1ccccc1 1458a_100000185807_100011218427 [1,1,0,0,0,0|0,0,0]=2 2853 B12R1.107 CC(O)CN(C)c1ccccc1 2230a_100000210012_100011218427 [1,1,0,0,0,0|2,0,0]=4 2854 B12R1.107 CC(O)CN(C)c1ccccc1 269982a_100000210012_100011218427 [1,1,0,0,0,0|2,0,0]=4 2855 B12R1.107 CC(O)CN(C)c1ccccc1 34a_100000210012_100011218427 [1,1,0,0,0,0|2,0,0]=4 2856 B12R1.107 CN(C)CC(=O)c1ccccc1 269982a_100102631434_100000211460 [1,1,0,0,0,0|1,0,0]=3 2857 B12R1.107 CN(C)CC(=O)c1ccccn1 269982a_100102631434_100000027445 [1,1,0,0,0,0|2,0,0]=4 2858 B12R1.107 CN(C)CC(=O)c1cccnc1 269982a_100102631434_100000757877 [1,1,0,0,0,0|2,0,0]=4 2859 B12R1.107 CN(C)CC(=O)c1ccncc1 269982a_100102631434_100000027454 [1,1,0,0,0,0|2,0,0]=4 2860 B12R1.107 CN(C)CS(=O)c1ccccc1 269982a_100102631434_100000031784 [1,1,0,0,0,0|2,0,0]=4 2861 B12R1.107 C[C@@H](O)CN(C)c1ccccc1 2230a_100000210012_100009817552 [1,1,0,0,0,0|2,0,0]=4 2862 B12R1.107 C[C@@H](O)CN(C)c1ccccc1 269982a_100000210012_100009817552 [1,1,0,0,0,0|2,0,0]=4 2863 B12R1.107 C[C@@H](O)CN(C)c1ccccc1 34a_100000210012_100009817552 [1,1,0,0,0,0|2,0,0]=4 2864 B12R1.107 NC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000187820 [1,1,0,0,0,0|1,0,1]=4 2865 B12R1.107 O=C(CC(F)F)c1ccccc1 1458a_100000185807_100011934356 [1,1,0,0,0,0|1,0,0]=3 2866 B12R1.107 O=C(C[N+](=O)[O-])c1ccccc1 1458a_100000185807_100000761209 [1,1,0,0,0,0|2,0,0]=4 2867 B12R1.107 O=C([O-])CC(=O)c1ccccc1 1458a_100000185807_100020667443 [1,1,0,0,0,0|1,0,1]=4 2868 B12R1.308 C#CCC(=O)c1ccccc1Br 1458a_100000188424_100000184674 [1,1,0,0,0,0|0,0,2]=4 2869 B12R1.308 C#CCC(=O)c1ccccc1C 1458a_100000212026_100000184674 [1,1,0,0,0,0|0,0,2]=4 2870 B12R1.308 C#CCC(=O)c1ccccc1Cl 1458a_100000185844_100000184674 [1,1,0,0,0,0|0,0,2]=4 2871 B12R1.308 C#CCC(=O)c1ccccc1F 1458a_100000188656_100000184674 [1,1,0,0,0,0|0,0,2]=4 2872 B12R1.308 C#CCC(=O)c1ccccc1I 1458a_100000187884_100000184674 [1,1,0,0,0,0|0,0,2]=4 2873 B12R1.308 C#CCC(=O)c1ccccc1O 1458a_100015234032_100000184674 [1,1,0,0,0,0|0,0,2]=4 2874 B12R1.308 C#CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000184674 [1,1,0,0,0,0|0,0,2]=4 2875 B12R1.308 C=CCC(=O)c1ccccc1Br 1458a_100000188424_100000210623 [1,1,0,0,0,0|0,0,2]=4 2876 B12R1.308 C=CCC(=O)c1ccccc1C 1458a_100000212026_100000210623 [1,1,0,0,0,0|0,0,2]=4 2877 B12R1.308 C=CCC(=O)c1ccccc1Cl 1458a_100000185844_100000210623 [1,1,0,0,0,0|0,0,2]=4 2878 B12R1.308 C=CCC(=O)c1ccccc1F 1458a_100000188656_100000210623 [1,1,0,0,0,0|0,0,2]=4 2879 B12R1.308 C=CCC(=O)c1ccccc1I 1458a_100000187884_100000210623 [1,1,0,0,0,0|0,0,2]=4 2880 B12R1.308 C=CCC(=O)c1ccccc1O 1458a_100015234032_100000210623 [1,1,0,0,0,0|0,0,2]=4 2881 B12R1.308 C=CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210623 [1,1,0,0,0,0|0,0,2]=4 2882 B12R1.308 CCCC(=O)c1ccccc1Br 1458a_100000188424_100000210303 [1,1,0,0,0,0|0,0,0]=2 2883 B12R1.308 CCCC(=O)c1ccccc1C 1458a_100000212026_100000210303 [1,1,0,0,0,0|0,0,0]=2 2884 B12R1.308 CCCC(=O)c1ccccc1Cl 1458a_100000185844_100000210303 [1,1,0,0,0,0|0,0,0]=2 2885 B12R1.308 CCCC(=O)c1ccccc1F 1458a_100000188656_100000210303 [1,1,0,0,0,0|0,0,0]=2 2886 B12R1.308 CCCC(=O)c1ccccc1I 1458a_100000187884_100000210303 [1,1,0,0,0,0|0,0,0]=2 2887 B12R1.308 CCCC(=O)c1ccccc1O 1458a_100015234032_100000210303 [1,1,0,0,0,0|0,0,0]=2 2888 B12R1.308 CCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210303 [1,1,0,0,0,0|0,0,0]=2 2889 B12R1.308 CCCN(C)c1ccccc1Br 2230a_100020606079_100000210303 [1,1,0,0,0,0|2,0,0]=4 2890 B12R1.308 CCCN(C)c1ccccc1Br 269982a_100020606079_100000210303 [1,1,0,0,0,0|2,0,0]=4 2891 B12R1.308 CCCN(C)c1ccccc1Br 34a_100020606079_100000210303 [1,1,0,0,0,0|2,0,0]=4 2892 B12R1.308 CCCN(C)c1ccccc1C 2230a_100000219699_100000210303 [1,1,0,0,0,0|2,0,0]=4 2893 B12R1.308 CCCN(C)c1ccccc1C 269982a_100000219699_100000210303 [1,1,0,0,0,0|2,0,0]=4 2894 B12R1.308 CCCN(C)c1ccccc1C 34a_100000219699_100000210303 [1,1,0,0,0,0|2,0,0]=4 2895 B12R1.308 CCCN(C)c1ccccc1Cl 2230a_100000219374_100000210303 [1,1,0,0,0,0|2,0,0]=4 2896 B12R1.308 CCCN(C)c1ccccc1Cl 269982a_100000219374_100000210303 [1,1,0,0,0,0|2,0,0]=4 2897 B12R1.308 CCCN(C)c1ccccc1Cl 34a_100000219374_100000210303 [1,1,0,0,0,0|2,0,0]=4 2898 B12R1.308 CCCN(C)c1ccccc1F 2230a_100000220357_100000210303 [1,1,0,0,0,0|2,0,0]=4 2899 B12R1.308 CCCN(C)c1ccccc1F 2230a_100011231789_200000210301 [1,1,0,0,0,0|2,0,0]=4 2900 B12R1.308 CCCN(C)c1ccccc1F 269982a_100000220357_100000210303 [1,1,0,0,0,0|2,0,0]=4 2901 B12R1.308 CCCN(C)c1ccccc1F 269982a_100011231789_200000210301 [1,1,0,0,0,0|2,0,0]=4 2902 B12R1.308 CCCN(C)c1ccccc1F 34a_100000220357_100000210303 [1,1,0,0,0,0|2,0,0]=4 2903 B12R1.308 CCCN(C)c1ccccc1F 34a_100011231789_200000210301 [1,1,0,0,0,0|2,0,0]=4 2904 B12R1.308 CCCN(C)c1ccccc1F 38a_100000220357_100000210303 [1,1,0,0,0,0|2,0,0]=4 2905 B12R1.308 CCCN(C)c1ccccc1O 269982a_100000033821_100000210303 [1,1,0,0,0,0|2,0,0]=4 2906 B12R1.308 CCCN([13CH3])c1ccccc1F 2230a_100011231789_200025704644 [1,1,0,0,0,0|2,0,0]=4 2907 B12R1.308 CCCN([13CH3])c1ccccc1F 269982a_100011231789_200025704644 [1,1,0,0,0,0|2,0,0]=4 2908 B12R1.308 CCCN([13CH3])c1ccccc1F 34a_100011231789_200025704644 [1,1,0,0,0,0|2,0,0]=4 2909 B12R1.308 CCNC(=O)c1ccccc1Br 11a_100015525214_100000188424 [1,1,0,0,0,0|1,0,0]=3 2910 B12R1.308 CCNC(=O)c1ccccc1Br 240690a_100015525214_100000188424 [1,1,0,0,0,0|1,0,0]=3 2911 B12R1.308 CCNC(=O)c1ccccc1Br 527a_100015525214_100000188424 [1,1,0,0,0,0|1,0,0]=3 2912 B12R1.308 CCNC(=O)c1ccccc1C 11a_100015525214_100000212026 [1,1,0,0,0,0|1,0,0]=3 2913 B12R1.308 CCNC(=O)c1ccccc1C 240690a_100015525214_100000212026 [1,1,0,0,0,0|1,0,0]=3 2914 B12R1.308 CCNC(=O)c1ccccc1C 527a_100015525214_100000212026 [1,1,0,0,0,0|1,0,0]=3 2915 B12R1.308 CCNC(=O)c1ccccc1Cl 11a_100015525214_100000185844 [1,1,0,0,0,0|1,0,0]=3 2916 B12R1.308 CCNC(=O)c1ccccc1Cl 240690a_100015525214_100000185844 [1,1,0,0,0,0|1,0,0]=3 2917 B12R1.308 CCNC(=O)c1ccccc1Cl 527a_100015525214_100000185844 [1,1,0,0,0,0|1,0,0]=3 2918 B12R1.308 CCNC(=O)c1ccccc1F 11a_100015525214_100000188656 [1,1,0,0,0,0|1,0,0]=3 2919 B12R1.308 CCNC(=O)c1ccccc1F 240690a_100015525214_100000188656 [1,1,0,0,0,0|1,0,0]=3 2920 B12R1.308 CCNC(=O)c1ccccc1F 527a_100015525214_100000188656 [1,1,0,0,0,0|1,0,0]=3 2921 B12R1.308 CCNC(=O)c1ccccc1I 11a_100015525214_100000187884 [1,1,0,0,0,0|1,0,0]=3 2922 B12R1.308 CCNC(=O)c1ccccc1I 240690a_100015525214_100000187884 [1,1,0,0,0,0|1,0,0]=3 2923 B12R1.308 CCNC(=O)c1ccccc1I 527a_100015525214_100000187884 [1,1,0,0,0,0|1,0,0]=3 2924 B12R1.308 CCNC(=O)c1ccccc1O 240690a_100015525214_100015234032 [1,1,0,0,0,0|1,0,0]=3 2925 B12R1.308 CCNC(=O)c1ccccc1O 271570a_203496583355_200000155173 [1,1,0,0,0,0|1,0,0]=3 2926 B12R1.308 CCNC(=O)c1ccccc1[O-] 240690a_100015525214_100009911694 [1,1,0,0,0,0|1,0,0]=3 2927 B12R1.308 CCNC(=O)c1ccccc1[O-] 527a_100015525214_100009911694 [1,1,0,0,0,0|1,0,0]=3 2928 B12R1.308 CCNC(=O)c1cccnc1O 271570a_203496583355_100000160120 [1,1,0,0,0,0|2,0,0]=4 2929 B12R1.308 CCOC(=O)c1ccccc1O 271570a_203496583355_100000169879 [1,1,0,0,0,0|0,0,0]=2 2930 B12R1.308 CCOC(=O)c1cccnc1O 271570a_203496583355_100000170124 [1,1,0,0,0,0|1,0,0]=3 2931 B12R1.308 CCOC(=O)c1ccncc1O 271570a_203496583355_100010238393 [1,1,0,0,0,0|1,0,0]=3 2932 B12R1.308 CCOC(=O)c1cnccc1O 271570a_203496583355_100016987518 [1,1,0,0,0,0|1,0,0]=3 2933 B12R1.308 CCOC(=O)c1cncnc1O 271570a_203496583355_100011998183 [1,1,0,0,0,0|2,0,0]=4 2934 B12R1.308 CCOC(=O)c1ncccc1O 271570a_203496583355_100012351660 [1,1,0,0,0,0|1,0,0]=3 2935 B12R1.308 CCOC(=O)c1ncncc1O 271570a_203496583355_100012344254 [1,1,0,0,0,0|2,0,0]=4 2936 B12R1.308 CCOC(C)c1ccccc1Br 34a_100000702211_100000210202 [1,1,0,0,0,0|1,0,1]=4 2937 B12R1.308 CCOC(C)c1ccccc1Br 7a_100000702211_100000210202 [1,1,0,0,0,0|1,0,1]=4 2938 B12R1.308 CCOC(C)c1ccccc1C 34a_100000742021_100000210202 [1,1,0,0,0,0|1,0,1]=4 2939 B12R1.308 CCOC(C)c1ccccc1C 7a_100000742021_100000210202 [1,1,0,0,0,0|1,0,1]=4 2940 B12R1.308 CCOC(C)c1ccccc1Cl 34a_100000740796_100000210202 [1,1,0,0,0,0|1,0,1]=4 2941 B12R1.308 CCOC(C)c1ccccc1Cl 7a_100000740796_100000210202 [1,1,0,0,0,0|1,0,1]=4 2942 B12R1.308 CCOC(C)c1ccccc1F 34a_100000697922_100000210202 [1,1,0,0,0,0|1,0,1]=4 2943 B12R1.308 CCOC(C)c1ccccc1F 34a_100121572206_200000741388 [1,1,0,0,0,0|1,0,1]=4 2944 B12R1.308 CCOC(C)c1ccccc1F 7a_100000697922_100000210202 [1,1,0,0,0,0|1,0,1]=4 2945 B12R1.308 CCOC(C)c1ccccc1N 7a_100011405641_100000210202 [1,1,0,0,0,0|1,0,1]=4 2946 B12R1.308 CNCC(=O)c1ccccc1Br 34a_100102657272_100000199116 [1,1,0,0,0,0|1,0,0]=3 2947 B12R1.308 CNCC(=O)c1ccccc1C 2230a_106832991635_100000741374 [1,1,0,0,0,0|1,0,0]=3 2948 B12R1.308 CNCC(=O)c1ccccc1C 34a_100102657272_100000741374 [1,1,0,0,0,0|1,0,0]=3 2949 B12R1.308 CNCC(=O)c1ccccc1C 7a_106832991635_100000741374 [1,1,0,0,0,0|1,0,0]=3 2950 B12R1.308 CNCC(=O)c1ccccc1Cl 34a_100102657272_100000211432 [1,1,0,0,0,0|1,0,0]=3 2951 B12R1.308 CNCC(=O)c1ccccc1F 34a_100102657272_100000204681 [1,1,0,0,0,0|1,0,0]=3 2952 B12R1.308 CNCC(=O)c1ccccc1F 7a_106832991635_100000204681 [1,1,0,0,0,0|1,0,0]=3 2953 B12R1.308 CNCC(=O)c1ccccc1O 7a_106832991635_100000188908 [1,1,0,0,0,0|1,0,0]=3 2954 B12R1.308 CNNC(=O)c1ccccc1Br 22a_100016993582_100000188424 [1,1,0,0,0,0|2,0,0]=4 2955 B12R1.308 CNNC(=O)c1ccccc1C 22a_100016993582_100000212026 [1,1,0,0,0,0|2,0,0]=4 2956 B12R1.308 CNNC(=O)c1ccccc1Cl 22a_100016993582_100000185844 [1,1,0,0,0,0|2,0,0]=4 2957 B12R1.308 CNNC(=O)c1ccccc1F 22a_100016993582_100000188656 [1,1,0,0,0,0|2,0,0]=4 2958 B12R1.308 CNNC(=O)c1ccccc1I 22a_100016993582_100000187884 [1,1,0,0,0,0|2,0,0]=4 2959 B12R1.308 CNNC(=O)c1ccccc1O 22a_100016993582_100015234032 [1,1,0,0,0,0|2,0,0]=4 2960 B12R1.308 CNNC(=O)c1ccccc1[O-] 22a_100016993582_100009911694 [1,1,0,0,0,0|2,0,0]=4 2961 B12R1.308 COCC(=O)c1ccccc1Br 34a_100138415774_100000199116 [1,1,0,0,0,0|1,0,0]=3 2962 B12R1.308 COCC(=O)c1ccccc1C 34a_100138415774_100000741374 [1,1,0,0,0,0|1,0,0]=3 2963 B12R1.308 COCC(=O)c1ccccc1Cl 34a_100138415774_100000211432 [1,1,0,0,0,0|1,0,0]=3 2964 B12R1.308 COCC(=O)c1ccccc1F 34a_100138415774_100000204681 [1,1,0,0,0,0|1,0,0]=3 2965 B12R1.308 CSCC(=O)c1ccccc1Br 62a_100000199116_200000210301 [1,1,0,0,0,0|1,0,0]=3 2966 B12R1.308 CSCC(=O)c1ccccc1C 62a_100000741374_200000210301 [1,1,0,0,0,0|1,0,0]=3 2967 B12R1.308 CSCC(=O)c1ccccc1C 62a_200000210301_100000741374 [1,1,0,0,0,0|1,0,0]=3 2968 B12R1.308 CSCC(=O)c1ccccc1Cl 62a_100000211432_200000210301 [1,1,0,0,0,0|1,0,0]=3 2969 B12R1.308 CSCC(=O)c1ccccc1Cl 62a_200000210301_100000211432 [1,1,0,0,0,0|1,0,0]=3 2970 B12R1.308 CSCC(=O)c1ccccc1F 62a_100000204681_200000210301 [1,1,0,0,0,0|1,0,0]=3 2971 B12R1.308 CSCC(=O)c1ccccc1F 62a_200000210301_100000204681 [1,1,0,0,0,0|1,0,0]=3 2972 B12R1.308 CSCC(=O)c1ccccc1O 62a_100000188908_200000210301 [1,1,0,0,0,0|1,0,0]=3 2973 B12R1.308 CSCC(=O)c1ccccc1O 62a_200000210301_100000188908 [1,1,0,0,0,0|1,0,0]=3 2974 B12R1.308 Cc1ccccc1C(=O)CC#N 1458a_100000212026_100011214920 [1,1,0,0,0,0|1,0,1]=4 2975 B12R1.308 Cc1ccccc1C(=O)CCF 1458a_100000212026_100011217306 [1,1,0,0,0,0|1,0,0]=3 2976 B12R1.308 Cc1ccccc1C(=O)CCO 1458a_100000212026_100000211926 [1,1,0,0,0,0|1,0,0]=3 2977 B12R1.308 Cc1ccccc1C(=O)CS[13CH3] 62a_100000741374_200025704644 [1,1,0,0,0,0|1,0,0]=3 2978 B12R1.308 Cc1ccccc1C(=O)CS[13CH3] 62a_200025704644_100000741374 [1,1,0,0,0,0|1,0,0]=3 2979 B12R1.308 N#CCC(=O)c1ccccc1Br 1458a_100000188424_100011214920 [1,1,0,0,0,0|1,0,1]=4 2980 B12R1.308 N#CCC(=O)c1ccccc1Cl 1458a_100000185844_100011214920 [1,1,0,0,0,0|1,0,1]=4 2981 B12R1.308 N#CCC(=O)c1ccccc1F 1458a_100000188656_100011214920 [1,1,0,0,0,0|1,0,1]=4 2982 B12R1.308 N#CCC(=O)c1ccccc1I 1458a_100000187884_100011214920 [1,1,0,0,0,0|1,0,1]=4 2983 B12R1.308 N#CCC(=O)c1ccccc1O 1458a_100015234032_100011214920 [1,1,0,0,0,0|1,0,1]=4 2984 B12R1.308 N#CCC(=O)c1ccccc1O 271570a_203496583355_100011225204 [1,1,0,0,0,0|1,0,1]=4 2985 B12R1.308 N#CCC(=O)c1ccccc1[O-] 1458a_100009911694_100011214920 [1,1,0,0,0,0|1,0,1]=4 2986 B12R1.308 O=C(CCF)c1ccccc1Br 1458a_100000188424_100011217306 [1,1,0,0,0,0|1,0,0]=3 2987 B12R1.308 O=C(CCF)c1ccccc1Cl 1458a_100000185844_100011217306 [1,1,0,0,0,0|1,0,0]=3 2988 B12R1.308 O=C(CCF)c1ccccc1F 1458a_100000188656_100011217306 [1,1,0,0,0,0|1,0,0]=3 2989 B12R1.308 O=C(CCF)c1ccccc1I 1458a_100000187884_100011217306 [1,1,0,0,0,0|1,0,0]=3 2990 B12R1.308 O=C(CCF)c1ccccc1O 1458a_100015234032_100011217306 [1,1,0,0,0,0|1,0,0]=3 2991 B12R1.308 O=C(CCF)c1ccccc1[O-] 1458a_100009911694_100011217306 [1,1,0,0,0,0|1,0,0]=3 2992 B12R1.308 O=C(CCO)c1ccccc1Br 1458a_100000188424_100000211926 [1,1,0,0,0,0|1,0,0]=3 2993 B12R1.308 O=C(CCO)c1ccccc1Cl 1458a_100000185844_100000211926 [1,1,0,0,0,0|1,0,0]=3 2994 B12R1.308 O=C(CCO)c1ccccc1F 1458a_100000188656_100000211926 [1,1,0,0,0,0|1,0,0]=3 2995 B12R1.308 O=C(CCO)c1ccccc1I 1458a_100000187884_100000211926 [1,1,0,0,0,0|1,0,0]=3 2996 B12R1.308 O=C(CCO)c1ccccc1O 1458a_100015234032_100000211926 [1,1,0,0,0,0|1,0,0]=3 2997 B12R1.308 O=C(CCO)c1ccccc1[O-] 1458a_100009911694_100000211926 [1,1,0,0,0,0|1,0,0]=3 2998 B12R1.308 [13CH3]SCC(=O)c1ccccc1Br 62a_100000199116_200025704644 [1,1,0,0,0,0|1,0,0]=3 2999 B12R1.308 [13CH3]SCC(=O)c1ccccc1Cl 62a_100000211432_200025704644 [1,1,0,0,0,0|1,0,0]=3 3000 B12R1.308 [13CH3]SCC(=O)c1ccccc1Cl 62a_200025704644_100000211432 [1,1,0,0,0,0|1,0,0]=3 3001 B12R1.308 [13CH3]SCC(=O)c1ccccc1F 62a_100000204681_200025704644 [1,1,0,0,0,0|1,0,0]=3 3002 B12R1.308 [13CH3]SCC(=O)c1ccccc1F 62a_200025704644_100000204681 [1,1,0,0,0,0|1,0,0]=3 3003 B12R1.308 [13CH3]SCC(=O)c1ccccc1O 62a_100000188908_200025704644 [1,1,0,0,0,0|1,0,0]=3 3004 B12R1.308 [13CH3]SCC(=O)c1ccccc1O 62a_200025704644_100000188908 [1,1,0,0,0,0|1,0,0]=3 3005 B12R1.1 BrCCOCc1ccc(cc1)Br 34a_100000211926_100000189115 [1,1,0,0,0,0|1,0,1]=4 3006 B12R1.1 BrCCOCc1ccc(cc1)I 34a_100000211926_100000189116 [1,1,0,0,0,0|1,0,1]=4 3007 B12R1.1 CCCC=Cc1cc[n+](cc1)[O-] 271570a_100016258520_100000039755 [1,1,0,0,0,0|2,0,0]=4 3008 B12R1.1 CCCC=Cc1ccc(=O)[nH]c1 271570a_100016258520_100000212171 [1,1,0,0,0,0|2,0,0]=4 3009 B12R1.1 CCCC=Cc1ccc(cc1)Br 271570a_100016258520_100000752885 [1,1,0,0,0,0|1,0,0]=3 3010 B12R1.1 CCCC=Cc1ccc(cc1)C 271570a_100016258520_100000186775 [1,1,0,0,0,0|1,0,0]=3 3011 B12R1.1 CCCC=Cc1ccc(cc1)Cl 271570a_100016258520_100000755918 [1,1,0,0,0,0|1,0,0]=3 3012 B12R1.1 CCCC=Cc1ccc(cc1)F 271570a_100016258520_100000211213 [1,1,0,0,0,0|1,0,0]=3 3013 B12R1.1 CCCC=Cc1ccc(cc1)N 271570a_100016258520_100000185761 [1,1,0,0,0,0|1,0,0]=3 3014 B12R1.1 CCCC=Cc1ccc(cc1)O 271570a_100016258520_100000185759 [1,1,0,0,0,0|1,0,0]=3 3015 B12R1.1 CCCC=Cc1ccc(cn1)Br 271570a_100016258520_100000686858 [1,1,0,0,0,0|2,0,0]=4 3016 B12R1.1 CCCC=Cc1ccc(cn1)C 271570a_100016258520_100000754016 [1,1,0,0,0,0|2,0,0]=4 3017 B12R1.1 CCCC=Cc1ccc(cn1)Cl 271570a_100016258520_100011356976 [1,1,0,0,0,0|2,0,0]=4 3018 B12R1.1 CCCC=Cc1ccc(cn1)F 271570a_100016258520_100000744514 [1,1,0,0,0,0|2,0,0]=4 3019 B12R1.1 CCCC=Cc1ccc(cn1)N 271570a_100016258520_100000744251 [1,1,0,0,0,0|2,0,0]=4 3020 B12R1.1 CCCC=Cc1ccc(cn1)O 271570a_100016258520_100000685995 [1,1,0,0,0,0|2,0,0]=4 3021 B12R1.1 CCCC=Cc1ccc(nc1)Br 271570a_100016258520_100009814638 [1,1,0,0,0,0|2,0,0]=4 3022 B12R1.1 CCCC=Cc1ccc(nc1)C 271570a_100016258520_100000751577 [1,1,0,0,0,0|2,0,0]=4 3023 B12R1.1 CCCC=Cc1ccc(nc1)Cl 271570a_100016258520_100000034144 [1,1,0,0,0,0|2,0,0]=4 3024 B12R1.1 CCCC=Cc1ccc(nc1)F 271570a_100016258520_100000748661 [1,1,0,0,0,0|2,0,0]=4 3025 B12R1.1 CCCC=Cc1ccc(nc1)N 271570a_100016258520_100000187370 [1,1,0,0,0,0|2,0,0]=4 3026 B12R1.1 CCCCCc1ccc(cc1)O 271570a_203496583355_100009813665 [1,1,0,0,0,0|1,0,1]=4 3027 B12R1.1 CCCCNc1ccc(cc1)Br 2230a_100000210018_100000210211 [1,1,0,0,0,0|2,0,0]=4 3028 B12R1.1 CCCCNc1ccc(cc1)Br 34a_100000210018_100000210210 [1,1,0,0,0,0|2,0,0]=4 3029 B12R1.1 CCCCNc1ccc(cc1)C 34a_100000124888_100000210210 [1,1,0,0,0,0|2,0,0]=4 3030 B12R1.1 CCCCNc1ccc(cc1)Cl 2230a_100000210052_100000210211 [1,1,0,0,0,0|2,0,0]=4 3031 B12R1.1 CCCCNc1ccc(cc1)Cl 34a_100000210052_100000210210 [1,1,0,0,0,0|2,0,0]=4 3032 B12R1.1 CCCCNc1ccc(cc1)F 34a_100000185862_100000210210 [1,1,0,0,0,0|2,0,0]=4 3033 B12R1.1 CCCCNc1ccc(cc1)I 34a_100000185761_100000210210 [1,1,0,0,0,0|2,0,0]=4 3034 B12R1.1 CCCCNc1ccc(cc1)O 34a_100000185829_100000210210 [1,1,0,0,0,0|2,0,0]=4 3035 B12R1.1 CCCCOc1ccc(cc1)Br 34a_100000185759_100000210210 [1,1,0,0,0,0|2,0,0]=4 3036 B12R1.1 CCCCOc1ccc(cc1)Br 7a_100000185759_100000210211 [1,1,0,0,0,0|2,0,0]=4 3037 B12R1.1 CCCCOc1ccc(cc1)C 34a_100000210336_100000210210 [1,1,0,0,0,0|2,0,0]=4 3038 B12R1.1 CCCCOc1ccc(cc1)C 7a_100000210336_100000210211 [1,1,0,0,0,0|2,0,0]=4 3039 B12R1.1 CCCCOc1ccc(cc1)Cl 34a_100000210216_100000210210 [1,1,0,0,0,0|2,0,0]=4 3040 B12R1.1 CCCCOc1ccc(cc1)Cl 7a_100000210216_100000210211 [1,1,0,0,0,0|2,0,0]=4 3041 B12R1.1 CCCCOc1ccc(cc1)F 34a_100000210339_100000210210 [1,1,0,0,0,0|2,0,0]=4 3042 B12R1.1 CCCCOc1ccc(cc1)I 34a_100000212066_100000210210 [1,1,0,0,0,0|2,0,0]=4 3043 B12R1.1 CCCCOc1ccc(cc1)I 7a_100000212066_100000210211 [1,1,0,0,0,0|2,0,0]=4 3044 B12R1.1 CCCCOc1ccc(cc1)N 34a_100000185829_100000210210 [1,1,0,0,0,0|2,0,0]=4 3045 B12R1.1 CCCCOc1ccc(cc1)O 271570a_203496583355_100000230682 [1,1,0,0,0,0|2,0,0]=4 3046 B12R1.1 CCCCSc1ccc(cc1)Br 62a_100000210211_100000752885 [1,1,0,0,0,0|2,0,0]=4 3047 B12R1.1 CCCCSc1ccc(cc1)Br 62a_100000752885_100000210210 [1,1,0,0,0,0|2,0,0]=4 3048 B12R1.1 CCCCSc1ccc(cc1)C 62a_100000186775_100000210210 [1,1,0,0,0,0|2,0,0]=4 3049 B12R1.1 CCCCSc1ccc(cc1)C 62a_100000210211_100000186775 [1,1,0,0,0,0|2,0,0]=4 3050 B12R1.1 CCCCSc1ccc(cc1)Cl 62a_100000210211_100000755918 [1,1,0,0,0,0|2,0,0]=4 3051 B12R1.1 CCCCSc1ccc(cc1)Cl 62a_100000755918_100000210210 [1,1,0,0,0,0|2,0,0]=4 3052 B12R1.1 CCCCSc1ccc(cc1)F 62a_100000210211_100000211213 [1,1,0,0,0,0|2,0,0]=4 3053 B12R1.1 CCCCSc1ccc(cc1)F 62a_100000211213_100000210210 [1,1,0,0,0,0|2,0,0]=4 3054 B12R1.1 CCCCSc1ccc(cc1)N 62a_100000185761_100000210210 [1,1,0,0,0,0|2,0,0]=4 3055 B12R1.1 CCCCSc1ccc(cc1)N 62a_100000210211_100000185761 [1,1,0,0,0,0|2,0,0]=4 3056 B12R1.1 CCCCSc1ccc(cc1)O 62a_100000210211_100000185759 [1,1,0,0,0,0|2,0,0]=4 3057 B12R1.1 CCCNCc1ccc(cc1)Br 207a_100020643023_100000186029 [1,1,0,0,0,0|1,0,1]=4 3058 B12R1.1 CCCNCc1ccc(cc1)Br 2230a_100000174875_100000210303 [1,1,0,0,0,0|1,0,1]=4 3059 B12R1.1 CCCNCc1ccc(cc1)Br 270004a_100020643023_100000186029 [1,1,0,0,0,0|1,0,1]=4 3060 B12R1.1 CCCNCc1ccc(cc1)Br 34a_100000174875_100000210303 [1,1,0,0,0,0|1,0,1]=4 3061 B12R1.1 CCCNCc1ccc(cc1)C 207a_100020643023_100000211033 [1,1,0,0,0,0|1,0,1]=4 3062 B12R1.1 CCCNCc1ccc(cc1)C 2230a_100000174908_100000210303 [1,1,0,0,0,0|1,0,1]=4 3063 B12R1.1 CCCNCc1ccc(cc1)C 270004a_100020643023_100000211033 [1,1,0,0,0,0|1,0,1]=4 3064 B12R1.1 CCCNCc1ccc(cc1)C 34a_100000174908_100000210303 [1,1,0,0,0,0|1,0,1]=4 3065 B12R1.1 CCCNCc1ccc(cc1)Cl 207a_100020643023_100000189385 [1,1,0,0,0,0|1,0,1]=4 3066 B12R1.1 CCCNCc1ccc(cc1)Cl 2230a_100000174871_100000210303 [1,1,0,0,0,0|1,0,1]=4 3067 B12R1.1 CCCNCc1ccc(cc1)Cl 270004a_100020643023_100000189385 [1,1,0,0,0,0|1,0,1]=4 3068 B12R1.1 CCCNCc1ccc(cc1)Cl 34a_100000174871_100000210303 [1,1,0,0,0,0|1,0,1]=4 3069 B12R1.1 CCCNCc1ccc(cc1)F 207a_100020643023_100000210084 [1,1,0,0,0,0|1,0,1]=4 3070 B12R1.1 CCCNCc1ccc(cc1)F 2230a_100000174882_100000210303 [1,1,0,0,0,0|1,0,1]=4 3071 B12R1.1 CCCNCc1ccc(cc1)F 270004a_100020643023_100000210084 [1,1,0,0,0,0|1,0,1]=4 3072 B12R1.1 CCCNCc1ccc(cc1)F 34a_100000174882_100000210303 [1,1,0,0,0,0|1,0,1]=4 3073 B12R1.1 CCCNCc1ccc(cc1)I 207a_100020643023_100000188517 [1,1,0,0,0,0|1,0,1]=4 3074 B12R1.1 CCCNCc1ccc(cc1)I 2230a_100016989417_100000210303 [1,1,0,0,0,0|1,0,1]=4 3075 B12R1.1 CCCNCc1ccc(cc1)I 34a_100016989417_100000210303 [1,1,0,0,0,0|1,0,1]=4 3076 B12R1.1 CCCNCc1ccc(cc1)O 34a_100000185549_100000210303 [1,1,0,0,0,0|1,0,1]=4 3077 B12R1.1 CCCOCc1cc[n+](cc1)C 34a_100009831711_100000210303 [1,1,0,0,0,0|1,0,1]=4 3078 B12R1.1 CCCOCc1cc[n+](cc1)[O-] 34a_100000031831_100000210303 [1,1,0,0,0,0|1,0,1]=4 3079 B12R1.1 CCCOCc1cc[n+](cc1)[O-] 7a_100000031831_100000210303 [1,1,0,0,0,0|1,0,1]=4 3080 B12R1.1 CCCOCc1ccc(=O)[nH]c1 34a_100011999846_100000210303 [1,1,0,0,0,0|1,0,1]=4 3081 B12R1.1 CCCOCc1ccc(cc1)Br 34a_100000210258_100000189115 [1,1,0,0,0,0|0,0,1]=3 3082 B12R1.1 CCCOCc1ccc(cc1)Br 34a_100000695286_100000210303 [1,1,0,0,0,0|0,0,1]=3 3083 B12R1.1 CCCOCc1ccc(cc1)C 34a_100000210258_100000210814 [1,1,0,0,0,0|0,0,1]=3 3084 B12R1.1 CCCOCc1ccc(cc1)C 34a_100011215236_100000210303 [1,1,0,0,0,0|0,0,1]=3 3085 B12R1.1 CCCOCc1ccc(cc1)C 7a_100011215236_100000210303 [1,1,0,0,0,0|0,0,1]=3 3086 B12R1.1 CCCOCc1ccc(cc1)Cl 34a_100000210258_100000694040 [1,1,0,0,0,0|0,0,1]=3 3087 B12R1.1 CCCOCc1ccc(cc1)Cl 34a_100000211118_100000210303 [1,1,0,0,0,0|0,0,1]=3 3088 B12R1.1 CCCOCc1ccc(cc1)Cl 7a_100000211118_100000210303 [1,1,0,0,0,0|0,0,1]=3 3089 B12R1.1 CCCOCc1ccc(cc1)F 34a_100000210258_100000198546 [1,1,0,0,0,0|0,0,1]=3 3090 B12R1.1 CCCOCc1ccc(cc1)F 34a_100000210977_100000210303 [1,1,0,0,0,0|0,0,1]=3 3091 B12R1.1 CCCOCc1ccc(cc1)F 7a_100000210977_100000210303 [1,1,0,0,0,0|0,0,1]=3 3092 B12R1.1 CCCOCc1ccc(cc1)I 34a_100000210258_100000189116 [1,1,0,0,0,0|0,0,1]=3 3093 B12R1.1 CCCOCc1ccc(cc1)I 34a_100000690907_100000210303 [1,1,0,0,0,0|0,0,1]=3 3094 B12R1.1 CCCOCc1ccc(cc1)I 7a_100000690907_100000210303 [1,1,0,0,0,0|0,0,1]=3 3095 B12R1.1 CCCOCc1ccc(cc1)N 34a_100011215238_100000210303 [1,1,0,0,0,0|0,0,1]=3 3096 B12R1.1 CCCOCc1ccc(cn1)Br 34a_100000210258_100000702658 [1,1,0,0,0,0|1,0,1]=4 3097 B12R1.1 CCCOCc1ccc(cn1)Br 34a_100000754261_100000210303 [1,1,0,0,0,0|1,0,1]=4 3098 B12R1.1 CCCOCc1ccc(cn1)C 34a_100000210258_100000691093 [1,1,0,0,0,0|1,0,1]=4 3099 B12R1.1 CCCOCc1ccc(cn1)C 34a_100012001401_100000210303 [1,1,0,0,0,0|1,0,1]=4 3100 B12R1.1 CCCOCc1ccc(cn1)Cl 34a_100000210258_100012066911 [1,1,0,0,0,0|1,0,1]=4 3101 B12R1.1 CCCOCc1ccc(cn1)Cl 34a_100000703999_100000210303 [1,1,0,0,0,0|1,0,1]=4 3102 B12R1.1 CCCOCc1ccc(cn1)F 34a_100000210258_100000703193 [1,1,0,0,0,0|1,0,1]=4 3103 B12R1.1 CCCOCc1ccc(cn1)F 34a_100011999454_100000210303 [1,1,0,0,0,0|1,0,1]=4 3104 B12R1.1 CCCOCc1ccc(cn1)N 34a_100011998161_100000210303 [1,1,0,0,0,0|1,0,1]=4 3105 B12R1.1 CCCOCc1ccc(nc1)Br 34a_100000210258_100009831999 [1,1,0,0,0,0|1,0,1]=4 3106 B12R1.1 CCCOCc1ccc(nc1)Br 34a_100009816760_100000210303 [1,1,0,0,0,0|1,0,1]=4 3107 B12R1.1 CCCOCc1ccc(nc1)Br 7a_100009816760_100000210303 [1,1,0,0,0,0|1,0,1]=4 3108 B12R1.1 CCCOCc1ccc(nc1)C 34a_100000210258_100016987292 [1,1,0,0,0,0|1,0,1]=4 3109 B12R1.1 CCCOCc1ccc(nc1)C 34a_100011248133_100000210303 [1,1,0,0,0,0|1,0,1]=4 3110 B12R1.1 CCCOCc1ccc(nc1)Cl 34a_100000210258_100000735431 [1,1,0,0,0,0|1,0,1]=4 3111 B12R1.1 CCCOCc1ccc(nc1)Cl 34a_100000755211_100000210303 [1,1,0,0,0,0|1,0,1]=4 3112 B12R1.1 CCCOCc1ccc(nc1)Cl 7a_100000755211_100000210303 [1,1,0,0,0,0|1,0,1]=4 3113 B12R1.1 CCCOCc1ccc(nc1)F 34a_100000079959_100000210303 [1,1,0,0,0,0|1,0,1]=4 3114 B12R1.1 CCCOCc1ccc(nc1)F 34a_100000210258_100000099788 [1,1,0,0,0,0|1,0,1]=4 3115 B12R1.1 CCCOCc1ccc(nc1)N 34a_100000704267_100000210303 [1,1,0,0,0,0|1,0,1]=4 3116 B12R1.1 CCCSCc1ccc(cc1)Br 62a_100000189115_100000210303 [1,1,0,0,0,0|0,1,1]=4 3117 B12R1.1 CCCSCc1ccc(cc1)Br 62a_100000210303_100000189115 [1,1,0,0,0,0|0,1,1]=4 3118 B12R1.1 CCCSCc1ccc(cc1)C 62a_100000210303_100000210814 [1,1,0,0,0,0|0,1,1]=4 3119 B12R1.1 CCCSCc1ccc(cc1)C 62a_100000210814_100000210303 [1,1,0,0,0,0|0,1,1]=4 3120 B12R1.1 CCCSCc1ccc(cc1)Cl 62a_100000187161_100000210303 [1,1,0,0,0,0|0,1,1]=4 3121 B12R1.1 CCCSCc1ccc(cc1)Cl 62a_100000210303_100000187161 [1,1,0,0,0,0|0,1,1]=4 3122 B12R1.1 CCCSCc1ccc(cc1)F 62a_100000198546_100000210303 [1,1,0,0,0,0|0,1,1]=4 3123 B12R1.1 CCCSCc1ccc(cc1)F 62a_100000210303_100000187164 [1,1,0,0,0,0|0,1,1]=4 3124 B12R1.1 CCCSCc1ccc(cc1)I 62a_100000189116_100000210303 [1,1,0,0,0,0|0,1,1]=4 3125 B12R1.1 CCCSCc1ccc(cc1)I 62a_100000210303_100000189116 [1,1,0,0,0,0|0,1,1]=4 3126 B12R1.1 CCNN=Cc1ccc(cc1)Br 4a_100000756455_100000186029 [1,1,0,0,0,0|2,0,0]=4 3127 B12R1.1 CCNN=Cc1ccc(cc1)C 4a_100000756455_100000211033 [1,1,0,0,0,0|2,0,0]=4 3128 B12R1.1 CCNN=Cc1ccc(cc1)Cl 4a_100000756455_100000189385 [1,1,0,0,0,0|2,0,0]=4 3129 B12R1.1 CCNN=Cc1ccc(cc1)F 4a_100000756455_100000210084 [1,1,0,0,0,0|2,0,0]=4 3130 B12R1.1 CCNN=Cc1ccc(cc1)I 4a_100000756455_100000188517 [1,1,0,0,0,0|2,0,0]=4 3131 B12R1.1 CCNN=Cc1ccc(cc1)O 4a_100000756455_100000185832 [1,1,0,0,0,0|2,0,0]=4 3132 B12R1.1 CCOC=Cc1ccc(cc1)Br 271570a_100016256518_100000752885 [1,1,0,0,0,0|2,0,0]=4 3133 B12R1.1 CCOC=Cc1ccc(cc1)C 271570a_100016256518_100000186775 [1,1,0,0,0,0|2,0,0]=4 3134 B12R1.1 CCOC=Cc1ccc(cc1)Cl 271570a_100016256518_100000755918 [1,1,0,0,0,0|2,0,0]=4 3135 B12R1.1 CCOC=Cc1ccc(cc1)F 271570a_100016256518_100000211213 [1,1,0,0,0,0|2,0,0]=4 3136 B12R1.1 CCOC=Cc1ccc(cc1)N 271570a_100016256518_100000185761 [1,1,0,0,0,0|2,0,0]=4 3137 B12R1.1 CCOC=Cc1ccc(cc1)O 271570a_100016256518_100000185759 [1,1,0,0,0,0|2,0,0]=4 3138 B12R1.1 CNCC=Cc1ccc(cc1)Br 270004a_106832991635_100016291818 [1,1,0,0,0,0|2,0,0]=4 3139 B12R1.1 CNCC=Cc1ccc(cc1)C 270004a_106832991635_100016257026 [1,1,0,0,0,0|2,0,0]=4 3140 B12R1.1 CNCC=Cc1ccc(cc1)Cl 270004a_106832991635_100102525842 [1,1,0,0,0,0|2,0,0]=4 3141 B12R1.1 CNCC=Cc1ccc(cc1)F 270004a_106832991635_100016272083 [1,1,0,0,0,0|2,0,0]=4 3142 B12R1.1 COCC=Cc1ccc(cc1)Br 271570a_100016286323_100000752885 [1,1,0,0,0,0|2,0,0]=4 3143 B12R1.1 COCC=Cc1ccc(cc1)C 271570a_100016286323_100000186775 [1,1,0,0,0,0|2,0,0]=4 3144 B12R1.1 COCC=Cc1ccc(cc1)Cl 271570a_100016286323_100000755918 [1,1,0,0,0,0|2,0,0]=4 3145 B12R1.1 COCC=Cc1ccc(cc1)F 271570a_100016286323_100000211213 [1,1,0,0,0,0|2,0,0]=4 3146 B12R1.1 COCC=Cc1ccc(cc1)N 271570a_100016286323_100000185761 [1,1,0,0,0,0|2,0,0]=4 3147 B12R1.1 COCC=Cc1ccc(cc1)O 271570a_100016286323_100000185759 [1,1,0,0,0,0|2,0,0]=4 3148 B12R1.1 CSCOCc1ccc(cc1)Br 34a_100000695286_100011218213 [1,1,0,0,0,0|1,0,1]=4 3149 B12R1.1 CSCOCc1ccc(cc1)C 34a_100011215236_100011218213 [1,1,0,0,0,0|1,0,1]=4 3150 B12R1.1 CSCOCc1ccc(cc1)Cl 34a_100000211118_100011218213 [1,1,0,0,0,0|1,0,1]=4 3151 B12R1.1 CSCOCc1ccc(cc1)F 34a_100000210977_100011218213 [1,1,0,0,0,0|1,0,1]=4 3152 B12R1.1 CSCOCc1ccc(cc1)I 34a_100000690907_100011218213 [1,1,0,0,0,0|1,0,1]=4 3153 B12R1.1 CSCOCc1ccc(cc1)N 34a_100011215238_100011218213 [1,1,0,0,0,0|1,0,1]=4 3154 B12R1.1 Cc1ccc(cc1)COCCBr 34a_100000211926_100000210814 [1,1,0,0,0,0|1,0,1]=4 3155 B12R1.1 Cc1ccc(cc1)COCCF 34a_100011215236_100011217306 [1,1,0,0,0,0|1,0,1]=4 3156 B12R1.1 Cc1ccc(cc1)COCCF 7a_100011215236_100011217306 [1,1,0,0,0,0|1,0,1]=4 3157 B12R1.1 Cc1ccc(cc1)COCCN 34a_100000210304_100000210814 [1,1,0,0,0,0|1,0,1]=4 3158 B12R1.1 Cc1ccc(cc1)COCCO 34a_100011215236_100000211926 [1,1,0,0,0,0|1,0,1]=4 3159 B12R1.1 Cc1ccc(cc1)COCCO 7a_100011215236_100000211926 [1,1,0,0,0,0|1,0,1]=4 3160 B12R1.1 Clc1ccc(cc1)COCCBr 34a_100000211926_100000694040 [1,1,0,0,0,0|1,0,1]=4 3161 B12R1.1 FCCOCc1ccc(cc1)Br 34a_100000695286_100011217306 [1,1,0,0,0,0|1,0,1]=4 3162 B12R1.1 FCCOCc1ccc(cc1)Cl 34a_100000211118_100011217306 [1,1,0,0,0,0|1,0,1]=4 3163 B12R1.1 FCCOCc1ccc(cc1)Cl 7a_100000211118_100011217306 [1,1,0,0,0,0|1,0,1]=4 3164 B12R1.1 FCCOCc1ccc(cc1)F 34a_100000210977_100011217306 [1,1,0,0,0,0|1,0,1]=4 3165 B12R1.1 FCCOCc1ccc(cc1)F 7a_100000210977_100011217306 [1,1,0,0,0,0|1,0,1]=4 3166 B12R1.1 FCCOCc1ccc(cc1)I 34a_100000690907_100011217306 [1,1,0,0,0,0|1,0,1]=4 3167 B12R1.1 FCCOCc1ccc(cc1)I 7a_100000690907_100011217306 [1,1,0,0,0,0|1,0,1]=4 3168 B12R1.1 Fc1ccc(cc1)COCCBr 34a_100000211926_100000198546 [1,1,0,0,0,0|1,0,1]=4 3169 B12R1.1 NCCOCc1ccc(cc1)Br 34a_100000210304_100000189115 [1,1,0,0,0,0|1,0,1]=4 3170 B12R1.1 NCCOCc1ccc(cc1)Cl 34a_100000210304_100000694040 [1,1,0,0,0,0|1,0,1]=4 3171 B12R1.1 NCCOCc1ccc(cc1)F 34a_100000210304_100000198546 [1,1,0,0,0,0|1,0,1]=4 3172 B12R1.1 NCCOCc1ccc(cc1)I 34a_100000210304_100000189116 [1,1,0,0,0,0|1,0,1]=4 3173 B12R1.1 Nc1ccc(cc1)COCCF 34a_100011215238_100011217306 [1,1,0,0,0,0|1,0,1]=4 3174 B12R1.1 Nc1ccc(cc1)COCCO 34a_100011215238_100000211926 [1,1,0,0,0,0|1,0,1]=4 3175 B12R1.1 OCCOCc1ccc(cc1)Br 34a_100000695286_100000211926 [1,1,0,0,0,0|1,0,1]=4 3176 B12R1.1 OCCOCc1ccc(cc1)Cl 34a_100000211118_100000211926 [1,1,0,0,0,0|1,0,1]=4 3177 B12R1.1 OCCOCc1ccc(cc1)Cl 7a_100000211118_100000211926 [1,1,0,0,0,0|1,0,1]=4 3178 B12R1.1 OCCOCc1ccc(cc1)F 34a_100000210977_100000211926 [1,1,0,0,0,0|1,0,1]=4 3179 B12R1.1 OCCOCc1ccc(cc1)F 7a_100000210977_100000211926 [1,1,0,0,0,0|1,0,1]=4 3180 B12R1.1 OCCOCc1ccc(cc1)I 34a_100000690907_100000211926 [1,1,0,0,0,0|1,0,1]=4 3181 B12R1.1 OCCOCc1ccc(cc1)I 7a_100000690907_100000211926 [1,1,0,0,0,0|1,0,1]=4 3182 B12R1.8 BrCCCOCc1ccccc1 34a_100011217188_100015291786 [1,1,0,0,0,0|0,0,1]=3 3183 B12R1.8 BrCCCOCc1ccccn1 34a_100011217188_100000721315 [1,1,0,0,0,0|1,0,1]=4 3184 B12R1.8 BrCCCOCc1cccnc1 34a_100011217188_100000733263 [1,1,0,0,0,0|1,0,1]=4 3185 B12R1.8 BrCCOCCc1ccccc1 34a_100000211926_100000765856 [1,1,0,0,0,0|1,0,1]=4 3186 B12R1.8 C#CCCOCc1ccccc1 34a_100000210790_100000688953 [1,1,0,0,0,0|0,0,2]=4 3187 B12R1.8 C#CCCOCc1ccccc1 34a_100011215631_100015291786 [1,1,0,0,0,0|0,0,2]=4 3188 B12R1.8 C#CCCOCc1ccccc1 7a_100000210790_100000688953 [1,1,0,0,0,0|0,0,2]=4 3189 B12R1.8 C/C=C/COCc1ccccc1 34a_100000210790_100102629194 [1,1,0,0,0,0|0,0,2]=4 3190 B12R1.8 C/C=C/COCc1ccccc1 34a_100016270725_100015291786 [1,1,0,0,0,0|0,0,2]=4 3191 B12R1.8 C/C=C/COCc1ccccc1 7a_100000210790_100102629194 [1,1,0,0,0,0|0,0,2]=4 3192 B12R1.8 C=CCCOCc1ccccc1 34a_100000210790_100000754431 [1,1,0,0,0,0|0,0,2]=4 3193 B12R1.8 C=CCCOCc1ccccc1 34a_100011205117_100015291786 [1,1,0,0,0,0|0,0,2]=4 3194 B12R1.8 C=CCCOCc1ccccc1 7a_100000210790_100000754431 [1,1,0,0,0,0|0,0,2]=4 3195 B12R1.8 CC#CCOCc1ccccc1 34a_100000210790_100000748600 [1,1,0,0,0,0|0,0,2]=4 3196 B12R1.8 CC#CCOCc1ccccc1 34a_100000761923_100015291786 [1,1,0,0,0,0|0,0,2]=4 3197 B12R1.8 CC#CCOCc1ccccc1 7a_100000210790_100000748600 [1,1,0,0,0,0|0,0,2]=4 3198 B12R1.8 CC=CCOCc1ccccc1 34a_100000210790_100000070051 [1,1,0,0,0,0|0,0,2]=4 3199 B12R1.8 CC=CCOCc1ccccc1 7a_100000210790_100000070051 [1,1,0,0,0,0|0,0,2]=4 3200 B12R1.8 CCCC=NNc1ccccc1 4a_100015195140_100000185831 [1,1,0,0,0,0|2,0,0]=4 3201 B12R1.8 CCCCC=Cc1ccccc1 271570a_100016275911_100000210277 [1,1,0,0,0,0|1,0,0]=3 3202 B12R1.8 CCCCC=Cc1ccccn1 271570a_100016275911_100011216584 [1,1,0,0,0,0|2,0,0]=4 3203 B12R1.8 CCCCC=Cc1cccnc1 271570a_100016275911_100000752921 [1,1,0,0,0,0|2,0,0]=4 3204 B12R1.8 CCCCC=Cc1ccncc1 271570a_100016275911_100000035832 [1,1,0,0,0,0|2,0,0]=4 3205 B12R1.8 CCCCCNc1ccccc1 34a_100000106764_100000718602 [1,1,0,0,0,0|1,0,1]=4 3206 B12R1.8 CCCCCOc1ccccc1 34a_100000210340_100000718602 [1,1,0,0,0,0|1,0,1]=4 3207 B12R1.8 CCCCCOc1ccccc1 7a_100000210340_100000210326 [1,1,0,0,0,0|1,0,1]=4 3208 B12R1.8 CCCCCSc1ccccc1 62a_100000210326_100000041952 [1,1,0,0,0,0|1,0,1]=4 3209 B12R1.8 CCCCCSc1ccccc1 62a_100000719477_100000210326 [1,1,0,0,0,0|1,0,1]=4 3210 B12R1.8 CCCCNCc1ccccc1 207a_100000102301_100015611070 [1,1,0,0,0,0|1,0,1]=4 3211 B12R1.8 CCCCNCc1ccccc1 2230a_100000102301_100015291786 [1,1,0,0,0,0|1,0,1]=4 3212 B12R1.8 CCCCNCc1ccccc1 2230a_100015324214_100000210211 [1,1,0,0,0,0|1,0,1]=4 3213 B12R1.8 CCCCNCc1ccccc1 270004a_100000102301_100015611070 [1,1,0,0,0,0|1,0,1]=4 3214 B12R1.8 CCCCNCc1ccccc1 34a_100015324214_100000210210 [1,1,0,0,0,0|1,0,1]=4 3215 B12R1.8 CCCCNCc1ccccc1 7a_106832991798_100000211182 [1,1,0,0,0,0|1,0,1]=4 3216 B12R1.8 CCCCOCc1ccccc1 34a_100000210227_100015291786 [1,1,0,0,0,0|0,0,1]=3 3217 B12R1.8 CCCCOCc1ccccc1 34a_100000210790_100000210210 [1,1,0,0,0,0|0,0,1]=3 3218 B12R1.8 CCCCOCc1ccccc1 7a_100000210227_100000211182 [1,1,0,0,0,0|0,0,1]=3 3219 B12R1.8 CCCCOCc1ccccc1 7a_100000210790_100000210211 [1,1,0,0,0,0|0,0,1]=3 3220 B12R1.8 CCCCOCc1ccccn1 34a_100000210227_100000721315 [1,1,0,0,0,0|1,0,1]=4 3221 B12R1.8 CCCCOCc1ccccn1 7a_100000210227_100000721315 [1,1,0,0,0,0|1,0,1]=4 3222 B12R1.8 CCCCOCc1cccnc1 34a_100000210227_100000733263 [1,1,0,0,0,0|1,0,1]=4 3223 B12R1.8 CCCCOCc1cccnc1 7a_100000210227_100000741622 [1,1,0,0,0,0|1,0,1]=4 3224 B12R1.8 CCCCOCc1ccncc1 7a_100000210227_100015193705 [1,1,0,0,0,0|1,0,1]=4 3225 B12R1.8 CCCCSCc1ccccc1 62a_100000210211_100015291786 [1,1,0,0,0,0|0,1,1]=4 3226 B12R1.8 CCCCSCc1ccccc1 62a_100000211182_100000210210 [1,1,0,0,0,0|0,1,1]=4 3227 B12R1.8 CCCNCCc1ccccc1 2230a_100000106460_100000210303 [1,1,0,0,0,0|1,0,1]=4 3228 B12R1.8 CCCNCCc1ccccc1 34a_100000106460_100000210303 [1,1,0,0,0,0|1,0,1]=4 3229 B12R1.8 CCCNN=Cc1ccccc1 4a_100000740057_100015611070 [1,1,0,0,0,0|1,0,0]=3 3230 B12R1.8 CCCNN=Cc1ccccn1 4a_100000740057_100000209966 [1,1,0,0,0,0|2,0,0]=4 3231 B12R1.8 CCCNN=Cc1cccnc1 4a_100000740057_100000209961 [1,1,0,0,0,0|2,0,0]=4 3232 B12R1.8 CCCNN=Cc1ccncc1 4a_100000740057_100000186114 [1,1,0,0,0,0|2,0,0]=4 3233 B12R1.8 CCCOCCc1ccccc1 34a_100000210258_100000765856 [1,1,0,0,0,0|0,0,1]=3 3234 B12R1.8 CCCOCCc1ccccc1 34a_100000210268_100000210303 [1,1,0,0,0,0|0,0,1]=3 3235 B12R1.8 CCCOCCc1ccccc1 7a_100000210268_100000210303 [1,1,0,0,0,0|0,0,1]=3 3236 B12R1.8 CCCOCCc1ccccn1 34a_100000210271_100000210303 [1,1,0,0,0,0|1,0,1]=4 3237 B12R1.8 CCCOCCc1cccnc1 34a_100011217484_100000210303 [1,1,0,0,0,0|1,0,1]=4 3238 B12R1.8 CCCOCCc1ccncc1 34a_100011216225_100000210303 [1,1,0,0,0,0|1,0,1]=4 3239 B12R1.8 CCCSCCc1ccccc1 62a_100000210303_100011218657 [1,1,0,0,0,0|0,1,1]=4 3240 B12R1.8 CCCSCCc1ccccc1 62a_100000765856_100000210303 [1,1,0,0,0,0|0,1,1]=4 3241 B12R1.8 CCCSCSc1ccccc1 62a_100000210303_100011218342 [1,1,0,0,0,0|0,1,1]=4 3242 B12R1.8 CCCSCSc1ccccc1 62a_100011218342_100000210303 [1,1,0,0,0,0|0,1,1]=4 3243 B12R1.8 CCNC/C=C/c1ccccc1 2230a_100015525214_100016265936 [1,1,0,0,0,0|1,0,0]=3 3244 B12R1.8 CCNC/C=C/c1ccccc1 2230a_100020603302_100000210202 [1,1,0,0,0,0|1,0,0]=3 3245 B12R1.8 CCNC/C=C/c1ccccc1 34a_100020603302_100000210202 [1,1,0,0,0,0|1,0,0]=3 3246 B12R1.8 CCNCC#Cc1ccccc1 2230a_100015525214_100011352542 [1,1,0,0,0,0|1,0,1]=4 3247 B12R1.8 CCNCC#Cc1ccccc1 34a_100000735379_100000210202 [1,1,0,0,0,0|1,0,1]=4 3248 B12R1.8 CCNCC=Cc1ccccc1 270004a_100015525214_100000210105 [1,1,0,0,0,0|1,0,0]=3 3249 B12R1.8 CCNCCCc1ccccc1 2230a_100000211184_100000210202 [1,1,0,0,0,0|1,0,1]=4 3250 B12R1.8 CCNCCCc1ccccc1 2230a_100015525214_100000211621 [1,1,0,0,0,0|1,0,1]=4 3251 B12R1.8 CCNCCCc1ccccc1 34a_100000211184_100000210202 [1,1,0,0,0,0|1,0,1]=4 3252 B12R1.8 CCNCCOc1ccccc1 2230a_100000174943_100000210202 [1,1,0,0,0,0|2,0,0]=4 3253 B12R1.8 CCNCCOc1ccccc1 2230a_100015525214_100000184471 [1,1,0,0,0,0|2,0,0]=4 3254 B12R1.8 CCNCCOc1ccccc1 270004a_100015525214_100000758736 [1,1,0,0,0,0|2,0,0]=4 3255 B12R1.8 CCNCCOc1ccccc1 34a_100000174943_100000210202 [1,1,0,0,0,0|2,0,0]=4 3256 B12R1.8 CCNCCSc1ccccc1 2230a_100000189519_100000210202 [1,1,0,0,0,0|2,0,0]=4 3257 B12R1.8 CCNCCSc1ccccc1 2230a_100015525214_100000246102 [1,1,0,0,0,0|2,0,0]=4 3258 B12R1.8 CCNCOCc1ccccc1 2230a_100015525214_100000763385 [1,1,0,0,0,0|0,0,1]=3 3259 B12R1.8 CCNCSCc1ccccc1 2230a_100015525214_200011217039 [1,1,0,0,0,0|0,1,1]=4 3260 B12R1.8 CCNN=CCc1ccccc1 4a_100000756455_100000209964 [1,1,0,0,0,0|2,0,0]=4 3261 B12R1.8 CCOC/C=C/c1ccccc1 34a_100000210256_100000210202 [1,1,0,0,0,0|1,0,0]=3 3262 B12R1.8 CCOC/C=C/c1ccccc1 34a_100121572206_100016265936 [1,1,0,0,0,0|1,0,0]=3 3263 B12R1.8 CCOC/C=C/c1cccnc1 34a_200102594124_100000210202 [1,1,0,0,0,0|2,0,0]=4 3264 B12R1.8 CCOCC#Cc1ccccc1 34a_100011217464_100000210202 [1,1,0,0,0,0|1,0,1]=4 3265 B12R1.8 CCOCC#Cc1ccccc1 34a_100121572206_100011352542 [1,1,0,0,0,0|1,0,1]=4 3266 B12R1.8 CCOCC#Cc1ccccc1 7a_100011217464_100000210202 [1,1,0,0,0,0|1,0,1]=4 3267 B12R1.8 CCOCCCc1ccccc1 34a_100000210828_100000210202 [1,1,0,0,0,0|1,0,1]=4 3268 B12R1.8 CCOCCCc1ccccc1 34a_100121572206_100000211621 [1,1,0,0,0,0|1,0,1]=4 3269 B12R1.8 CCOCCCc1ccccc1 7a_100000210828_100000210202 [1,1,0,0,0,0|1,0,1]=4 3270 B12R1.8 CCOCCNc1ccccc1 34a_100000106764_100000210147 [1,1,0,0,0,0|2,0,0]=4 3271 B12R1.8 CCOCCNc1ccccc1 34a_100000211345_100000210202 [1,1,0,0,0,0|2,0,0]=4 3272 B12R1.8 CCOCCOc1ccccc1 34a_100000210260_100000210202 [1,1,0,0,0,0|2,0,0]=4 3273 B12R1.8 CCOCCOc1ccccc1 34a_100000210340_100000210147 [1,1,0,0,0,0|2,0,0]=4 3274 B12R1.8 CCOCCOc1ccccc1 34a_100121572206_100000184471 [1,1,0,0,0,0|2,0,0]=4 3275 B12R1.8 CCOCCOc1ccccc1 7a_100000210260_100000210202 [1,1,0,0,0,0|2,0,0]=4 3276 B12R1.8 CCOCCOc1ccccc1 7a_100000210340_100011215890 [1,1,0,0,0,0|2,0,0]=4 3277 B12R1.8 CCOCCSc1ccccc1 34a_100121572206_100000246102 [1,1,0,0,0,0|2,0,0]=4 3278 B12R1.8 CCOCCSc1ccccc1 62a_100000210147_100000041952 [1,1,0,0,0,0|2,0,0]=4 3279 B12R1.8 CCOCCSc1ccccc1 62a_100000719477_100011215890 [1,1,0,0,0,0|2,0,0]=4 3280 B12R1.8 CCOCCSc1ccccc1 7a_100000230494_100000210202 [1,1,0,0,0,0|2,0,0]=4 3281 B12R1.8 CCOCOCc1ccccc1 34a_100121572206_100000763385 [1,1,0,0,0,0|0,0,1]=3 3282 B12R1.8 CCOCSCc1ccccc1 34a_100121572206_200011217039 [1,1,0,0,0,0|0,1,1]=4 3283 B12R1.8 CCOCSCc1ccccc1 62a_100000211182_100000739092 [1,1,0,0,0,0|0,1,1]=4 3284 B12R1.8 CCOCSCc1ccccc1 62a_100000739092_100015291786 [1,1,0,0,0,0|0,1,1]=4 3285 B12R1.8 CCSC/C=C/c1ccccc1 62a_100000210202_100016265936 [1,1,0,0,0,0|1,0,0]=3 3286 B12R1.8 CCSC/C=C/c1ccccc1 62a_100016265936_100000210202 [1,1,0,0,0,0|1,0,0]=3 3287 B12R1.8 CCSCC#Cc1ccccc1 62a_100000210202_100011352542 [1,1,0,0,0,0|1,0,1]=4 3288 B12R1.8 CCSCCCc1ccccc1 62a_100000210202_100000211621 [1,1,0,0,0,0|1,0,1]=4 3289 B12R1.8 CCSCCCc1ccccc1 62a_100000211621_100000210202 [1,1,0,0,0,0|1,0,1]=4 3290 B12R1.8 CCSCCNc1ccccc1 34a_100000106764_100000757381 [1,1,0,0,0,0|2,0,0]=4 3291 B12R1.8 CCSCCOc1ccccc1 34a_100000210340_100000757381 [1,1,0,0,0,0|2,0,0]=4 3292 B12R1.8 CCSCCOc1ccccc1 62a_100000184471_100000210202 [1,1,0,0,0,0|2,0,0]=4 3293 B12R1.8 CCSCCOc1ccccc1 62a_100000210202_100000184471 [1,1,0,0,0,0|2,0,0]=4 3294 B12R1.8 CCSCCOc1ccccc1 7a_100000210340_100000757381 [1,1,0,0,0,0|2,0,0]=4 3295 B12R1.8 CCSCCSc1ccccc1 62a_100000210202_100000246102 [1,1,0,0,0,0|2,0,0]=4 3296 B12R1.8 CCSCCSc1ccccc1 62a_100000246102_100000210202 [1,1,0,0,0,0|2,0,0]=4 3297 B12R1.8 CCSCCSc1ccccc1 62a_100000719477_100000757381 [1,1,0,0,0,0|2,0,0]=4 3298 B12R1.8 CCSCCSc1ccccc1 62a_100000757381_100000041952 [1,1,0,0,0,0|2,0,0]=4 3299 B12R1.8 CCSCOCc1ccccc1 62a_100000210202_100000763385 [1,1,0,0,0,0|0,0,1]=3 3300 B12R1.8 CCSCOCc1ccccc1 62a_100000763385_100000210202 [1,1,0,0,0,0|0,0,1]=3 3301 B12R1.8 CCSCSCc1ccccc1 62a_100000210202_200011217039 [1,1,0,0,0,0|0,1,1]=4 3302 B12R1.8 CCSCSCc1ccccc1 62a_200011217039_100000210202 [1,1,0,0,0,0|0,1,1]=4 3303 B12R1.8 CNCCCCc1ccccc1 2230a_100015280158_200000210301 [1,1,0,0,0,0|1,0,1]=4 3304 B12R1.8 CNCCCCc1ccccc1 2230a_106832991635_100000701786 [1,1,0,0,0,0|1,0,1]=4 3305 B12R1.8 CNCCCCc1ccccc1 34a_100015280158_200000210301 [1,1,0,0,0,0|1,0,1]=4 3306 B12R1.8 CNCCCCc1ccccc1 34a_100102657272_100000701786 [1,1,0,0,0,0|1,0,1]=4 3307 B12R1.8 CNCCCCc1ccccc1 7a_106832991635_100000701786 [1,1,0,0,0,0|1,0,1]=4 3308 B12R1.8 CNCCCOc1ccccc1 2230a_100000216521_200000210301 [1,1,0,0,0,0|2,0,0]=4 3309 B12R1.8 CNCCCOc1ccccc1 2230a_106832991635_100000199009 [1,1,0,0,0,0|2,0,0]=4 3310 B12R1.8 CNCCCOc1ccccc1 34a_100000216521_200000210301 [1,1,0,0,0,0|2,0,0]=4 3311 B12R1.8 CNCCCOc1ccccc1 34a_100102657272_100000199009 [1,1,0,0,0,0|2,0,0]=4 3312 B12R1.8 CNCCCOc1ccccc1 7a_106832991635_100000199009 [1,1,0,0,0,0|2,0,0]=4 3313 B12R1.8 CNCCCSc1ccccc1 2230a_100000184639_200000210301 [1,1,0,0,0,0|2,0,0]=4 3314 B12R1.8 CNCCCSc1ccccc1 2230a_106832991635_200011203293 [1,1,0,0,0,0|2,0,0]=4 3315 B12R1.8 CNCCCSc1ccccc1 34a_100102657272_200011203293 [1,1,0,0,0,0|2,0,0]=4 3316 B12R1.8 CNCCCSc1ccccc1 7a_106832991635_200011203293 [1,1,0,0,0,0|2,0,0]=4 3317 B12R1.8 CNCCOCc1ccccc1 2230a_100000753106_200000210301 [1,1,0,0,0,0|0,0,1]=3 3318 B12R1.8 CNCCOCc1ccccc1 2230a_106832991635_100000234347 [1,1,0,0,0,0|0,0,1]=3 3319 B12R1.8 CNCCOCc1ccccc1 34a_100000753106_200000210301 [1,1,0,0,0,0|0,0,1]=3 3320 B12R1.8 CNCCOCc1ccccc1 34a_100102657272_100000234347 [1,1,0,0,0,0|0,0,1]=3 3321 B12R1.8 CNCCOCc1ccccc1 7a_106832991635_100000234347 [1,1,0,0,0,0|0,0,1]=3 3322 B12R1.8 CNCCSCc1ccccc1 2230a_100000189534_200000210301 [1,1,0,0,0,0|0,1,1]=4 3323 B12R1.8 CNCCSCc1ccccc1 2230a_106832991635_200011297719 [1,1,0,0,0,0|0,1,1]=4 3324 B12R1.8 CNCCSCc1ccccc1 34a_100000189534_200000210301 [1,1,0,0,0,0|0,1,1]=4 3325 B12R1.8 CNCCSCc1ccccc1 34a_100102657272_200011297719 [1,1,0,0,0,0|0,1,1]=4 3326 B12R1.8 CNCCSCc1ccccc1 7a_100000189534_200000210301 [1,1,0,0,0,0|0,1,1]=4 3327 B12R1.8 COCCC#Cc1ccccc1 34a_100000760064_200000210301 [1,1,0,0,0,0|1,0,1]=4 3328 B12R1.8 COCCC#Cc1ccccc1 7a_100000760064_200000210301 [1,1,0,0,0,0|1,0,1]=4 3329 B12R1.8 COCCCCc1ccccc1 34a_100000703073_200000210301 [1,1,0,0,0,0|1,0,1]=4 3330 B12R1.8 COCCCCc1ccccc1 34a_100138415774_100000701786 [1,1,0,0,0,0|1,0,1]=4 3331 B12R1.8 COCCCCc1ccccc1 7a_100000703073_200000210301 [1,1,0,0,0,0|1,0,1]=4 3332 B12R1.8 COCCCNc1ccccc1 34a_100000106764_100000740836 [1,1,0,0,0,0|2,0,0]=4 3333 B12R1.8 COCCCNc1ccccc1 34a_100000212590_200000210301 [1,1,0,0,0,0|2,0,0]=4 3334 B12R1.8 COCCCOc1ccccc1 34a_100000210340_100000740836 [1,1,0,0,0,0|2,0,0]=4 3335 B12R1.8 COCCCOc1ccccc1 34a_100011215863_200000210301 [1,1,0,0,0,0|2,0,0]=4 3336 B12R1.8 COCCCOc1ccccc1 34a_100138415774_100000199009 [1,1,0,0,0,0|2,0,0]=4 3337 B12R1.8 COCCCOc1ccccc1 7a_100000210340_100000740836 [1,1,0,0,0,0|2,0,0]=4 3338 B12R1.8 COCCCOc1ccccc1 7a_100011215863_200000210301 [1,1,0,0,0,0|2,0,0]=4 3339 B12R1.8 COCCCSc1ccccc1 34a_100138415774_200011203293 [1,1,0,0,0,0|2,0,0]=4 3340 B12R1.8 COCCCSc1ccccc1 62a_100000709357_100000041952 [1,1,0,0,0,0|2,0,0]=4 3341 B12R1.8 COCCCSc1ccccc1 62a_100000719477_100000709357 [1,1,0,0,0,0|2,0,0]=4 3342 B12R1.8 COCCNCc1ccccc1 207a_100000209980_100015611070 [1,1,0,0,0,0|1,0,1]=4 3343 B12R1.8 COCCNCc1ccccc1 2230a_100000209980_100015291786 [1,1,0,0,0,0|1,0,1]=4 3344 B12R1.8 COCCNCc1ccccc1 2230a_100015324214_100011201679 [1,1,0,0,0,0|1,0,1]=4 3345 B12R1.8 COCCNCc1ccccc1 270004a_100000209980_100015611070 [1,1,0,0,0,0|1,0,1]=4 3346 B12R1.8 COCCNCc1ccccc1 34a_100000180844_200000210301 [1,1,0,0,0,0|1,0,1]=4 3347 B12R1.8 COCCNCc1ccccc1 34a_100015324214_100011201679 [1,1,0,0,0,0|1,0,1]=4 3348 B12R1.8 COCCOCc1ccccc1 34a_100000210237_100015291786 [1,1,0,0,0,0|0,0,1]=3 3349 B12R1.8 COCCOCc1ccccc1 34a_100000210790_100011201679 [1,1,0,0,0,0|0,0,1]=3 3350 B12R1.8 COCCOCc1ccccc1 34a_100000759325_200000210301 [1,1,0,0,0,0|0,0,1]=3 3351 B12R1.8 COCCOCc1ccccc1 34a_100138415774_100000234347 [1,1,0,0,0,0|0,0,1]=3 3352 B12R1.8 COCCOCc1ccccc1 7a_100000210790_100000233755 [1,1,0,0,0,0|0,0,1]=3 3353 B12R1.8 COCCOCc1ccccc1 7a_100000759325_200000210301 [1,1,0,0,0,0|0,0,1]=3 3354 B12R1.8 COCCOCc1ccccn1 34a_100000210237_100000721315 [1,1,0,0,0,0|1,0,1]=4 3355 B12R1.8 COCCOCc1cccnc1 34a_100000210237_100000733263 [1,1,0,0,0,0|1,0,1]=4 3356 B12R1.8 COCCSCc1ccccc1 34a_100011205989_200000210301 [1,1,0,0,0,0|0,1,1]=4 3357 B12R1.8 COCCSCc1ccccc1 34a_100138415774_200011297719 [1,1,0,0,0,0|0,1,1]=4 3358 B12R1.8 COCCSCc1ccccc1 62a_100000211182_100000233755 [1,1,0,0,0,0|0,1,1]=4 3359 B12R1.8 COCCSCc1ccccc1 62a_100000233755_100015291786 [1,1,0,0,0,0|0,1,1]=4 3360 B12R1.8 COCCSCc1ccccc1 7a_100011205989_200000210301 [1,1,0,0,0,0|0,1,1]=4 3361 B12R1.8 CSCCCCc1ccccc1 62a_100000701786_200000210301 [1,1,0,0,0,0|1,0,1]=4 3362 B12R1.8 CSCCCCc1ccccc1 62a_200000210301_100000701786 [1,1,0,0,0,0|1,0,1]=4 3363 B12R1.8 CSCCCOc1ccccc1 62a_100000199009_200000210301 [1,1,0,0,0,0|2,0,0]=4 3364 B12R1.8 CSCCCOc1ccccc1 62a_200000210301_100000199009 [1,1,0,0,0,0|2,0,0]=4 3365 B12R1.8 CSCCCSc1ccccc1 62a_200000210301_200011203293 [1,1,0,0,0,0|2,0,0]=4 3366 B12R1.8 CSCCCSc1ccccc1 62a_200011203293_200000210301 [1,1,0,0,0,0|2,0,0]=4 3367 B12R1.8 CSCCNCc1ccccc1 207a_100020590264_100015611070 [1,1,0,0,0,0|1,0,1]=4 3368 B12R1.8 CSCCNCc1ccccc1 2230a_100015324214_100000751147 [1,1,0,0,0,0|1,0,1]=4 3369 B12R1.8 CSCCNCc1ccccc1 2230a_100020590264_100015291786 [1,1,0,0,0,0|1,0,1]=4 3370 B12R1.8 CSCCNCc1ccccc1 270004a_100020590264_100015611070 [1,1,0,0,0,0|1,0,1]=4 3371 B12R1.8 CSCCNCc1ccccc1 34a_100015324214_100000212216 [1,1,0,0,0,0|1,0,1]=4 3372 B12R1.8 CSCCOCc1ccccc1 34a_100000210790_100000212216 [1,1,0,0,0,0|0,0,1]=3 3373 B12R1.8 CSCCOCc1ccccc1 34a_100000230434_100015291786 [1,1,0,0,0,0|0,0,1]=3 3374 B12R1.8 CSCCOCc1ccccc1 62a_100000234347_200000210301 [1,1,0,0,0,0|0,0,1]=3 3375 B12R1.8 CSCCOCc1ccccc1 62a_200000210301_100000234347 [1,1,0,0,0,0|0,0,1]=3 3376 B12R1.8 CSCCOCc1ccccc1 7a_100000210790_100000212216 [1,1,0,0,0,0|0,0,1]=3 3377 B12R1.8 CSCCOCc1ccccc1 7a_100000230434_100000211182 [1,1,0,0,0,0|0,0,1]=3 3378 B12R1.8 CSCCOCc1ccccn1 34a_100000230434_100000721315 [1,1,0,0,0,0|1,0,1]=4 3379 B12R1.8 CSCCOCc1ccccn1 7a_100000230434_100000721315 [1,1,0,0,0,0|1,0,1]=4 3380 B12R1.8 CSCCOCc1cccnc1 34a_100000230434_100000733263 [1,1,0,0,0,0|1,0,1]=4 3381 B12R1.8 CSCCOCc1cccnc1 7a_100000230434_100000741622 [1,1,0,0,0,0|1,0,1]=4 3382 B12R1.8 CSCCOCc1ccncc1 7a_100000230434_100015193705 [1,1,0,0,0,0|1,0,1]=4 3383 B12R1.8 CSCCSCc1ccccc1 62a_100000211182_100000751147 [1,1,0,0,0,0|0,1,1]=4 3384 B12R1.8 CSCCSCc1ccccc1 62a_100000212216_100015291786 [1,1,0,0,0,0|0,1,1]=4 3385 B12R1.8 CSCCSCc1ccccc1 62a_200000210301_200011297719 [1,1,0,0,0,0|0,1,1]=4 3386 B12R1.8 CSCCSCc1ccccc1 62a_200011297719_200000210301 [1,1,0,0,0,0|0,1,1]=4 3387 B12R1.8 CSCOCCc1ccccc1 34a_100000210268_100011218213 [1,1,0,0,0,0|1,0,1]=4 3388 B12R1.8 ClCCCOCc1ccccc1 34a_100000230001_100015291786 [1,1,0,0,0,0|0,0,1]=3 3389 B12R1.8 ClCCCOCc1ccccn1 34a_100000230001_100000721315 [1,1,0,0,0,0|1,0,1]=4 3390 B12R1.8 ClCCCOCc1cccnc1 34a_100000230001_100000733263 [1,1,0,0,0,0|1,0,1]=4 3391 B12R1.8 FCCCCNc1ccccc1 34a_100000106764_100000729493 [1,1,0,0,0,0|2,0,0]=4 3392 B12R1.8 FCCCCOc1ccccc1 34a_100000210340_100000729493 [1,1,0,0,0,0|2,0,0]=4 3393 B12R1.8 FCCCCOc1ccccc1 7a_100000210340_100000729493 [1,1,0,0,0,0|2,0,0]=4 3394 B12R1.8 FCCCCSc1ccccc1 62a_100000719477_100000729493 [1,1,0,0,0,0|2,0,0]=4 3395 B12R1.8 FCCCCSc1ccccc1 62a_100000729493_100000041952 [1,1,0,0,0,0|2,0,0]=4 3396 B12R1.8 FCCCNCc1ccccc1 207a_100015189416_100015611070 [1,1,0,0,0,0|1,0,1]=4 3397 B12R1.8 FCCCNCc1ccccc1 2230a_100015189416_100015291786 [1,1,0,0,0,0|1,0,1]=4 3398 B12R1.8 FCCCNCc1ccccc1 2230a_100015324214_100011934791 [1,1,0,0,0,0|1,0,1]=4 3399 B12R1.8 FCCCNCc1ccccc1 270004a_100015189416_100015611070 [1,1,0,0,0,0|1,0,1]=4 3400 B12R1.8 FCCCNCc1ccccc1 34a_100015189416_100015291786 [1,1,0,0,0,0|1,0,1]=4 3401 B12R1.8 FCCCNCc1ccccc1 34a_100015324214_100011934791 [1,1,0,0,0,0|1,0,1]=4 3402 B12R1.8 FCCCOCc1ccccc1 34a_100000210790_100011934791 [1,1,0,0,0,0|0,0,1]=3 3403 B12R1.8 FCCCOCc1ccccc1 34a_100000759539_100015291786 [1,1,0,0,0,0|0,0,1]=3 3404 B12R1.8 FCCCOCc1ccccc1 7a_100000210790_100011934791 [1,1,0,0,0,0|0,0,1]=3 3405 B12R1.8 FCCCOCc1ccccn1 34a_100000759539_100000721315 [1,1,0,0,0,0|1,0,1]=4 3406 B12R1.8 FCCCOCc1cccnc1 34a_100000759539_100000733263 [1,1,0,0,0,0|1,0,1]=4 3407 B12R1.8 FCCCSCc1ccccc1 62a_100000211182_100011934791 [1,1,0,0,0,0|0,1,1]=4 3408 B12R1.8 FCCCSCc1ccccc1 62a_100011934791_100015291786 [1,1,0,0,0,0|0,1,1]=4 3409 B12R1.8 FCCOCCc1ccccc1 34a_100000210268_100011217306 [1,1,0,0,0,0|1,0,1]=4 3410 B12R1.8 FCCOCCc1ccccc1 7a_100000210268_100011217306 [1,1,0,0,0,0|1,0,1]=4 3411 B12R1.8 FCNC/C=C/c1ccccc1 34a_100020603302_100015361967 [1,1,0,0,0,0|2,0,0]=4 3412 B12R1.8 FCOC/C=C/c1ccccc1 34a_100000210256_100015361967 [1,1,0,0,0,0|2,0,0]=4 3413 B12R1.8 FCSC/C=C/c1ccccc1 62a_100015361967_100016265936 [1,1,0,0,0,0|2,0,0]=4 3414 B12R1.8 FCSC/C=C/c1ccccc1 62a_100016265936_100015361967 [1,1,0,0,0,0|2,0,0]=4 3415 B12R1.8 FCSCOCc1ccccc1 62a_100000763385_100015361967 [1,1,0,0,0,0|1,0,1]=4 3416 B12R1.8 FCSCOCc1ccccc1 62a_100015361967_100000763385 [1,1,0,0,0,0|1,0,1]=4 3417 B12R1.8 N#CCCOCc1ccccc1 7a_100000210790_100000184422 [1,1,0,0,0,0|0,0,2]=4 3418 B12R1.8 NCCCOCc1ccccc1 34a_100000182051_100015291786 [1,1,0,0,0,0|0,0,1]=3 3419 B12R1.8 NCCCOCc1ccccn1 34a_100000182051_100000721315 [1,1,0,0,0,0|1,0,1]=4 3420 B12R1.8 NCCCOCc1cccnc1 34a_100000182051_100000733263 [1,1,0,0,0,0|1,0,1]=4 3421 B12R1.8 NCCOCCc1ccccc1 34a_100000210304_100000765856 [1,1,0,0,0,0|1,0,1]=4 3422 B12R1.8 NOCCOCc1ccccc1 34a_100000700252_100015291786 [1,1,0,0,0,0|1,0,1]=4 3423 B12R1.8 OCCCCNc1ccccc1 34a_100000106764_100011216708 [1,1,0,0,0,0|2,0,0]=4 3424 B12R1.8 OCCCCOc1ccccc1 34a_100000210340_100011216708 [1,1,0,0,0,0|2,0,0]=4 3425 B12R1.8 OCCCCOc1ccccc1 7a_100000210340_100000210776 [1,1,0,0,0,0|2,0,0]=4 3426 B12R1.8 OCCCCSc1ccccc1 62a_100000210776_100000041952 [1,1,0,0,0,0|2,0,0]=4 3427 B12R1.8 OCCCCSc1ccccc1 62a_100000719477_100000210776 [1,1,0,0,0,0|2,0,0]=4 3428 B12R1.8 OCCCNCc1ccccc1 207a_100000182051_100015611070 [1,1,0,0,0,0|1,0,1]=4 3429 B12R1.8 OCCCNCc1ccccc1 2230a_100015324214_100000230001 [1,1,0,0,0,0|1,0,1]=4 3430 B12R1.8 OCCCNCc1ccccc1 270004a_100000182051_100015611070 [1,1,0,0,0,0|1,0,1]=4 3431 B12R1.8 OCCCNCc1ccccc1 34a_100015324214_100000230001 [1,1,0,0,0,0|1,0,1]=4 3432 B12R1.8 OCCCOCc1ccccc1 34a_100000210790_100000230001 [1,1,0,0,0,0|0,0,1]=3 3433 B12R1.8 OCCCOCc1ccccc1 7a_100000210790_100011215043 [1,1,0,0,0,0|0,0,1]=3 3434 B12R1.8 OCCCSCc1ccccc1 62a_100000211182_100011215043 [1,1,0,0,0,0|0,1,1]=4 3435 B12R1.8 OCCCSCc1ccccc1 62a_100011215043_100015291786 [1,1,0,0,0,0|0,1,1]=4 3436 B12R1.8 OCCNN=Cc1ccccc1 4a_100000210001_100015611070 [1,1,0,0,0,0|2,0,0]=4 3437 B12R1.8 OCCOCCc1ccccc1 34a_100000210268_100000211926 [1,1,0,0,0,0|1,0,1]=4 3438 B12R1.8 OCCOCCc1ccccc1 7a_100000210268_100000211926 [1,1,0,0,0,0|1,0,1]=4 3439 B12R1.8 [13CH3]NCCCCc1ccccc1 2230a_100015280158_200025704644 [1,1,0,0,0,0|1,0,1]=4 3440 B12R1.8 [13CH3]NCCCCc1ccccc1 34a_100015280158_200025704644 [1,1,0,0,0,0|1,0,1]=4 3441 B12R1.8 [13CH3]NCCCOc1ccccc1 2230a_100000216521_200025704644 [1,1,0,0,0,0|2,0,0]=4 3442 B12R1.8 [13CH3]NCCCOc1ccccc1 34a_100000216521_200025704644 [1,1,0,0,0,0|2,0,0]=4 3443 B12R1.8 [13CH3]NCCCSc1ccccc1 2230a_100000184639_200025704644 [1,1,0,0,0,0|2,0,0]=4 3444 B12R1.8 [13CH3]NCCOCc1ccccc1 2230a_100000753106_200025704644 [1,1,0,0,0,0|0,0,1]=3 3445 B12R1.8 [13CH3]NCCOCc1ccccc1 34a_100000753106_200025704644 [1,1,0,0,0,0|0,0,1]=3 3446 B12R1.8 [13CH3]NCCSCc1ccccc1 2230a_100000189534_200025704644 [1,1,0,0,0,0|0,1,1]=4 3447 B12R1.8 [13CH3]NCCSCc1ccccc1 34a_100000189534_200025704644 [1,1,0,0,0,0|0,1,1]=4 3448 B12R1.8 [13CH3]NCCSCc1ccccc1 7a_100000189534_200025704644 [1,1,0,0,0,0|0,1,1]=4 3449 B12R1.8 [13CH3]OCCC#Cc1ccccc1 34a_100000760064_200025704644 [1,1,0,0,0,0|1,0,1]=4 3450 B12R1.8 [13CH3]OCCC#Cc1ccccc1 7a_100000760064_200025704644 [1,1,0,0,0,0|1,0,1]=4 3451 B12R1.8 [13CH3]OCCCCc1ccccc1 34a_100000703073_200025704644 [1,1,0,0,0,0|1,0,1]=4 3452 B12R1.8 [13CH3]OCCCCc1ccccc1 7a_100000703073_200025704644 [1,1,0,0,0,0|1,0,1]=4 3453 B12R1.8 [13CH3]OCCCNc1ccccc1 34a_100000212590_200025704644 [1,1,0,0,0,0|2,0,0]=4 3454 B12R1.8 [13CH3]OCCCOc1ccccc1 34a_100011215863_200025704644 [1,1,0,0,0,0|2,0,0]=4 3455 B12R1.8 [13CH3]OCCCOc1ccccc1 7a_100011215863_200025704644 [1,1,0,0,0,0|2,0,0]=4 3456 B12R1.8 [13CH3]OCCNCc1ccccc1 34a_100000180844_200025704644 [1,1,0,0,0,0|1,0,1]=4 3457 B12R1.8 [13CH3]OCCOCc1ccccc1 34a_100000759325_200025704644 [1,1,0,0,0,0|0,0,1]=3 3458 B12R1.8 [13CH3]OCCOCc1ccccc1 7a_100000759325_200025704644 [1,1,0,0,0,0|0,0,1]=3 3459 B12R1.8 [13CH3]OCCSCc1ccccc1 34a_100011205989_200025704644 [1,1,0,0,0,0|0,1,1]=4 3460 B12R1.8 [13CH3]OCCSCc1ccccc1 7a_100011205989_200025704644 [1,1,0,0,0,0|0,1,1]=4 3461 B12R1.8 [13CH3]SCCCCc1ccccc1 62a_100000701786_200025704644 [1,1,0,0,0,0|1,0,1]=4 3462 B12R1.8 [13CH3]SCCCCc1ccccc1 62a_200025704644_100000701786 [1,1,0,0,0,0|1,0,1]=4 3463 B12R1.8 [13CH3]SCCCOc1ccccc1 62a_100000199009_200025704644 [1,1,0,0,0,0|2,0,0]=4 3464 B12R1.8 [13CH3]SCCCOc1ccccc1 62a_200025704644_100000199009 [1,1,0,0,0,0|2,0,0]=4 3465 B12R1.8 [13CH3]SCCCSc1ccccc1 62a_200011203293_200025704644 [1,1,0,0,0,0|2,0,0]=4 3466 B12R1.8 [13CH3]SCCCSc1ccccc1 62a_200025704644_200011203293 [1,1,0,0,0,0|2,0,0]=4 3467 B12R1.8 [13CH3]SCCOCc1ccccc1 62a_100000234347_200025704644 [1,1,0,0,0,0|0,0,1]=3 3468 B12R1.8 [13CH3]SCCOCc1ccccc1 62a_200025704644_100000234347 [1,1,0,0,0,0|0,0,1]=3 3469 B12R1.8 [13CH3]SCCSCc1ccccc1 62a_200011297719_200025704644 [1,1,0,0,0,0|0,1,1]=4 3470 B12R1.8 [13CH3]SCCSCc1ccccc1 62a_200025704644_200011297719 [1,1,0,0,0,0|0,1,1]=4 3471 B12R1.27 CC(CF)OCc1ccccc1 34a_100016041109_100015291786 [1,1,0,0,0,0|1,0,1]=4 3472 B12R1.27 CC(CF)OCc1ccccc1 7a_100016041109_100000211182 [1,1,0,0,0,0|1,0,1]=4 3473 B12R1.27 CC(CN)OCc1ccccc1 34a_100000210904_100015291786 [1,1,0,0,0,0|1,0,1]=4 3474 B12R1.27 CC(CO)OCc1ccccc1 34a_100000210790_100012180447 [1,1,0,0,0,0|1,0,1]=4 3475 B12R1.27 CC(CO)OCc1ccccc1 7a_100000210790_100012180447 [1,1,0,0,0,0|1,0,1]=4 3476 B12R1.27 CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210202 [1,1,0,0,0,0|1,0,1]=4 3477 B12R1.27 CCC(C)CNc1ccccc1 34a_100000106764_100000748023 [1,1,0,0,0,0|2,0,0]=4 3478 B12R1.27 CCC(C)COc1ccccc1 34a_100000210340_100000748023 [1,1,0,0,0,0|2,0,0]=4 3479 B12R1.27 CCC(C)COc1ccccc1 7a_100000210340_100000748023 [1,1,0,0,0,0|2,0,0]=4 3480 B12R1.27 CCC(C)CSc1ccccc1 62a_100000719477_100000748023 [1,1,0,0,0,0|2,0,0]=4 3481 B12R1.27 CCC(C)CSc1ccccc1 62a_100000748023_100000041952 [1,1,0,0,0,0|2,0,0]=4 3482 B12R1.27 CCC(C)NCc1ccccc1 207a_100000209981_100015611070 [1,1,0,0,0,0|1,0,1]=4 3483 B12R1.27 CCC(C)NCc1ccccc1 2230a_100000209981_100015291786 [1,1,0,0,0,0|1,0,1]=4 3484 B12R1.27 CCC(C)NCc1ccccc1 2230a_100015324214_100000758301 [1,1,0,0,0,0|1,0,1]=4 3485 B12R1.27 CCC(C)NCc1ccccc1 270004a_100000209981_100015611070 [1,1,0,0,0,0|1,0,1]=4 3486 B12R1.27 CCC(C)NCc1ccccc1 34a_100015324214_100011215416 [1,1,0,0,0,0|1,0,1]=4 3487 B12R1.27 CCC(C)OCc1ccccc1 34a_100000210790_100011215416 [1,1,0,0,0,0|0,0,1]=3 3488 B12R1.27 CCC(C)OCc1ccccc1 7a_100000210228_100000211182 [1,1,0,0,0,0|0,0,1]=3 3489 B12R1.27 CCC(C)OCc1ccccc1 7a_100000210790_100000758301 [1,1,0,0,0,0|0,0,1]=3 3490 B12R1.27 CCC(C)OCc1ccccn1 7a_100000210228_100000721315 [1,1,0,0,0,0|1,0,1]=4 3491 B12R1.27 CCC(C)OCc1cccnc1 7a_100000210228_100000741622 [1,1,0,0,0,0|1,0,1]=4 3492 B12R1.27 CCC(C)OCc1ccncc1 7a_100000210228_100015193705 [1,1,0,0,0,0|1,0,1]=4 3493 B12R1.27 CCC(C)SCc1ccccc1 62a_100000211182_100000758301 [1,1,0,0,0,0|0,1,1]=4 3494 B12R1.27 CCC(C)SCc1ccccc1 62a_100000758301_100015291786 [1,1,0,0,0,0|0,1,1]=4 3495 B12R1.27 CCC(O)CNc1ccccc1 34a_100000106764_100011218378 [1,1,0,0,0,0|2,0,0]=4 3496 B12R1.27 CCC(O)COc1ccccc1 34a_100000210340_100011218378 [1,1,0,0,0,0|2,0,0]=4 3497 B12R1.27 CCC(O)COc1ccccc1 7a_100000210340_100011218378 [1,1,0,0,0,0|2,0,0]=4 3498 B12R1.27 CCC(O)CSc1ccccc1 62a_100000719477_100011218378 [1,1,0,0,0,0|2,0,0]=4 3499 B12R1.27 CCC(O)CSc1ccccc1 62a_100011218378_100000041952 [1,1,0,0,0,0|2,0,0]=4 3500 B12R1.27 CC[C@H](C)CNc1ccccc1 34a_100000106764_100009816398 [1,1,0,0,0,0|2,0,0]=4 3501 B12R1.27 CC[C@H](C)COc1ccccc1 34a_100000210340_100009816398 [1,1,0,0,0,0|2,0,0]=4 3502 B12R1.27 CC[C@H](C)COc1ccccc1 7a_100000210340_100009816398 [1,1,0,0,0,0|2,0,0]=4 3503 B12R1.27 CC[C@H](C)CSc1ccccc1 62a_100000719477_100009816398 [1,1,0,0,0,0|2,0,0]=4 3504 B12R1.27 CC[C@H](C)CSc1ccccc1 62a_100009816398_100000041952 [1,1,0,0,0,0|2,0,0]=4 3505 B12R1.28 BrCCOCc1cccc(c1)Br 34a_100000211926_100000698116 [1,1,0,0,0,0|1,0,1]=4 3506 B12R1.28 BrCCOCc1cccc(c1)I 34a_100000211926_100011218688 [1,1,0,0,0,0|1,0,1]=4 3507 B12R1.28 CCCC=Cc1cc(ccn1)C 271570a_100016258520_100000750283 [1,1,0,0,0,0|2,0,0]=4 3508 B12R1.28 CCCC=Cc1cc(ccn1)Cl 271570a_100016258520_100010167805 [1,1,0,0,0,0|2,0,0]=4 3509 B12R1.28 CCCC=Cc1cc(ccn1)F 271570a_100016258520_100009817058 [1,1,0,0,0,0|2,0,0]=4 3510 B12R1.28 CCCC=Cc1cc(ccn1)N 271570a_100016258520_100009814236 [1,1,0,0,0,0|2,0,0]=4 3511 B12R1.28 CCCC=Cc1cc(ccn1)O 271570a_100016258520_100000762945 [1,1,0,0,0,0|2,0,0]=4 3512 B12R1.28 CCCC=Cc1cc[nH]c(=O)c1 271570a_100016258520_100009816521 [1,1,0,0,0,0|2,0,0]=4 3513 B12R1.28 CCCC=Cc1ccc[n+](c1)C 271570a_100016258520_100009996589 [1,1,0,0,0,0|2,0,0]=4 3514 B12R1.28 CCCC=Cc1ccc[n+](c1)[O-] 271570a_100016258520_100009815978 [1,1,0,0,0,0|2,0,0]=4 3515 B12R1.28 CCCC=Cc1cccc(=O)[nH]1 271570a_100016258520_100000761760 [1,1,0,0,0,0|2,0,0]=4 3516 B12R1.28 CCCC=Cc1cccc(c1)Br 271570a_100016258520_100000691529 [1,1,0,0,0,0|1,0,0]=3 3517 B12R1.28 CCCC=Cc1cccc(c1)C 271570a_100016258520_100011215228 [1,1,0,0,0,0|1,0,0]=3 3518 B12R1.28 CCCC=Cc1cccc(c1)Cl 271570a_100016258520_100000699651 [1,1,0,0,0,0|1,0,0]=3 3519 B12R1.28 CCCC=Cc1cccc(c1)F 271570a_100016258520_100000685547 [1,1,0,0,0,0|1,0,0]=3 3520 B12R1.28 CCCC=Cc1cccc(c1)N 271570a_100016258520_100000210019 [1,1,0,0,0,0|1,0,0]=3 3521 B12R1.28 CCCC=Cc1cccc(c1)O 271570a_100016258520_100000211634 [1,1,0,0,0,0|1,0,0]=3 3522 B12R1.28 CCCC=Cc1cccc(c1)[S] 271570a_100016258520_114929384022 [1,1,0,0,0,0|1,0,0]=3 3523 B12R1.28 CCCC=Cc1cccc(n1)Br 271570a_100016258520_100000684672 [1,1,0,0,0,0|2,0,0]=4 3524 B12R1.28 CCCC=Cc1cccc(n1)C 271570a_100016258520_100000742759 [1,1,0,0,0,0|2,0,0]=4 3525 B12R1.28 CCCC=Cc1cccc(n1)F 271570a_100016258520_100009815982 [1,1,0,0,0,0|2,0,0]=4 3526 B12R1.28 CCCC=Cc1cccc(n1)N 271570a_100016258520_100000740741 [1,1,0,0,0,0|2,0,0]=4 3527 B12R1.28 CCCC=Cc1ccnc(c1)Br 271570a_100016258520_100009814637 [1,1,0,0,0,0|2,0,0]=4 3528 B12R1.28 CCCC=Cc1ccnc(c1)C 271570a_100016258520_100000758586 [1,1,0,0,0,0|2,0,0]=4 3529 B12R1.28 CCCC=Cc1ccnc(c1)Cl 271570a_100016258520_100000035001 [1,1,0,0,0,0|2,0,0]=4 3530 B12R1.28 CCCC=Cc1ccnc(c1)F 271570a_100016258520_100009816116 [1,1,0,0,0,0|2,0,0]=4 3531 B12R1.28 CCCC=Cc1ccnc(c1)N 271570a_100016258520_100000744379 [1,1,0,0,0,0|2,0,0]=4 3532 B12R1.28 CCCC=Cc1cncc(c1)Br 271570a_100016258520_100000728054 [1,1,0,0,0,0|2,0,0]=4 3533 B12R1.28 CCCC=Cc1cncc(c1)C 271570a_100016258520_100000760492 [1,1,0,0,0,0|2,0,0]=4 3534 B12R1.28 CCCC=Cc1cncc(c1)Cl 271570a_100016258520_100000049639 [1,1,0,0,0,0|2,0,0]=4 3535 B12R1.28 CCCC=Cc1cncc(c1)F 271570a_100016258520_100000744099 [1,1,0,0,0,0|2,0,0]=4 3536 B12R1.28 CCCC=Cc1cncc(c1)N 271570a_100016258520_100000687067 [1,1,0,0,0,0|2,0,0]=4 3537 B12R1.28 CCCC=Cc1cncc(c1)O 271570a_100016258520_100000754920 [1,1,0,0,0,0|2,0,0]=4 3538 B12R1.28 CCCCNc1cccc(c1)Br 34a_100000210019_100000210210 [1,1,0,0,0,0|2,0,0]=4 3539 B12R1.28 CCCCNc1cccc(c1)C 2230a_100000188690_100000210211 [1,1,0,0,0,0|2,0,0]=4 3540 B12R1.28 CCCCNc1cccc(c1)C 34a_100000188690_100000210210 [1,1,0,0,0,0|2,0,0]=4 3541 B12R1.28 CCCCNc1cccc(c1)Cl 34a_100000185859_100000210210 [1,1,0,0,0,0|2,0,0]=4 3542 B12R1.28 CCCCNc1cccc(c1)F 34a_100000210047_100000210210 [1,1,0,0,0,0|2,0,0]=4 3543 B12R1.28 CCCCNc1cccc(c1)I 34a_100000211102_100000210210 [1,1,0,0,0,0|2,0,0]=4 3544 B12R1.28 CCCCNc1cccc(c1)O 34a_100000210217_100000210210 [1,1,0,0,0,0|2,0,0]=4 3545 B12R1.28 CCCCOc1cccc(c1)Br 34a_100000210342_100000210210 [1,1,0,0,0,0|2,0,0]=4 3546 B12R1.28 CCCCOc1cccc(c1)Br 7a_100000210342_100000210211 [1,1,0,0,0,0|2,0,0]=4 3547 B12R1.28 CCCCOc1cccc(c1)C 34a_100000210337_100000210210 [1,1,0,0,0,0|2,0,0]=4 3548 B12R1.28 CCCCOc1cccc(c1)C 7a_100000210337_100000210211 [1,1,0,0,0,0|2,0,0]=4 3549 B12R1.28 CCCCOc1cccc(c1)Cl 34a_100000210295_100000210210 [1,1,0,0,0,0|2,0,0]=4 3550 B12R1.28 CCCCOc1cccc(c1)Cl 7a_100000210295_100000210211 [1,1,0,0,0,0|2,0,0]=4 3551 B12R1.28 CCCCOc1cccc(c1)F 34a_100000210426_100000210210 [1,1,0,0,0,0|2,0,0]=4 3552 B12R1.28 CCCCOc1cccc(c1)F 7a_100000210426_100000210211 [1,1,0,0,0,0|2,0,0]=4 3553 B12R1.28 CCCCOc1cccc(c1)I 34a_100000211634_100000210210 [1,1,0,0,0,0|2,0,0]=4 3554 B12R1.28 CCCCOc1cccc(c1)I 7a_100000211634_100000210211 [1,1,0,0,0,0|2,0,0]=4 3555 B12R1.28 CCCCOc1cccc(c1)N 34a_100000210217_100000210210 [1,1,0,0,0,0|2,0,0]=4 3556 B12R1.28 CCCCOc1cccc(c1)O 271570a_203496583355_200011212284 [1,1,0,0,0,0|2,0,0]=4 3557 B12R1.28 CCCCSc1cccc(c1)Br 62a_100000210211_100000691529 [1,1,0,0,0,0|2,0,0]=4 3558 B12R1.28 CCCCSc1cccc(c1)Br 62a_100000691529_100000210210 [1,1,0,0,0,0|2,0,0]=4 3559 B12R1.28 CCCCSc1cccc(c1)C 62a_100000210211_100011215228 [1,1,0,0,0,0|2,0,0]=4 3560 B12R1.28 CCCCSc1cccc(c1)C 62a_100011215228_100000210210 [1,1,0,0,0,0|2,0,0]=4 3561 B12R1.28 CCCCSc1cccc(c1)Cl 62a_100000210211_100000699651 [1,1,0,0,0,0|2,0,0]=4 3562 B12R1.28 CCCCSc1cccc(c1)Cl 62a_100000699651_100000210210 [1,1,0,0,0,0|2,0,0]=4 3563 B12R1.28 CCCCSc1cccc(c1)F 62a_100000210211_100000685547 [1,1,0,0,0,0|2,0,0]=4 3564 B12R1.28 CCCCSc1cccc(c1)F 62a_100000685547_100000210210 [1,1,0,0,0,0|2,0,0]=4 3565 B12R1.28 CCCCSc1cccc(c1)N 62a_100000210019_100000210210 [1,1,0,0,0,0|2,0,0]=4 3566 B12R1.28 CCCCSc1cccc(c1)N 62a_100000210211_100000210019 [1,1,0,0,0,0|2,0,0]=4 3567 B12R1.28 CCCCSc1cccc(c1)O 271570a_203496583355_100010128134 [1,1,0,0,0,0|2,0,0]=4 3568 B12R1.28 CCCCSc1cccc(c1)O 62a_100000210211_100000211634 [1,1,0,0,0,0|2,0,0]=4 3569 B12R1.28 CCCCSc1cccc(c1)[S] 62a_100000210211_114929384022 [1,1,0,0,0,0|2,0,0]=4 3570 B12R1.28 CCCCSc1cccc(c1)[S] 62a_114929384022_100000210210 [1,1,0,0,0,0|2,0,0]=4 3571 B12R1.28 CCCNCc1cccc(c1)Br 207a_100020643023_100000210085 [1,1,0,0,0,0|1,0,1]=4 3572 B12R1.28 CCCNCc1cccc(c1)Br 2230a_100000174977_100000210303 [1,1,0,0,0,0|1,0,1]=4 3573 B12R1.28 CCCNCc1cccc(c1)Br 270004a_100020643023_100000210085 [1,1,0,0,0,0|1,0,1]=4 3574 B12R1.28 CCCNCc1cccc(c1)Br 34a_100000174977_100000210303 [1,1,0,0,0,0|1,0,1]=4 3575 B12R1.28 CCCNCc1cccc(c1)C 207a_100020643023_100000211157 [1,1,0,0,0,0|1,0,1]=4 3576 B12R1.28 CCCNCc1cccc(c1)C 2230a_100000185548_100000210303 [1,1,0,0,0,0|1,0,1]=4 3577 B12R1.28 CCCNCc1cccc(c1)C 270004a_100020643023_100000211157 [1,1,0,0,0,0|1,0,1]=4 3578 B12R1.28 CCCNCc1cccc(c1)C 34a_100000185548_100000210303 [1,1,0,0,0,0|1,0,1]=4 3579 B12R1.28 CCCNCc1cccc(c1)Cl 207a_100020643023_100000210801 [1,1,0,0,0,0|1,0,1]=4 3580 B12R1.28 CCCNCc1cccc(c1)Cl 2230a_100000174878_100000210303 [1,1,0,0,0,0|1,0,1]=4 3581 B12R1.28 CCCNCc1cccc(c1)Cl 270004a_100020643023_100000210801 [1,1,0,0,0,0|1,0,1]=4 3582 B12R1.28 CCCNCc1cccc(c1)Cl 34a_100000174878_100000210303 [1,1,0,0,0,0|1,0,1]=4 3583 B12R1.28 CCCNCc1cccc(c1)F 207a_100020643023_100000210812 [1,1,0,0,0,0|1,0,1]=4 3584 B12R1.28 CCCNCc1cccc(c1)F 2230a_100000174948_100000210303 [1,1,0,0,0,0|1,0,1]=4 3585 B12R1.28 CCCNCc1cccc(c1)F 270004a_100020643023_100000210812 [1,1,0,0,0,0|1,0,1]=4 3586 B12R1.28 CCCNCc1cccc(c1)F 34a_100000174948_100000210303 [1,1,0,0,0,0|1,0,1]=4 3587 B12R1.28 CCCNCc1cccc(c1)I 207a_100020643023_100000014684 [1,1,0,0,0,0|1,0,1]=4 3588 B12R1.28 CCCNCc1cccc(c1)I 2230a_100000106179_100000210303 [1,1,0,0,0,0|1,0,1]=4 3589 B12R1.28 CCCNCc1cccc(c1)I 270004a_100020643023_100000014684 [1,1,0,0,0,0|1,0,1]=4 3590 B12R1.28 CCCNCc1cccc(c1)I 34a_100000106179_100000210303 [1,1,0,0,0,0|1,0,1]=4 3591 B12R1.28 CCCNCc1cccc(c1)O 207a_100020643023_100000188321 [1,1,0,0,0,0|1,0,1]=4 3592 B12R1.28 CCCNCc1cccc(c1)O 2230a_100000743036_100000210303 [1,1,0,0,0,0|1,0,1]=4 3593 B12R1.28 CCCNCc1cccc(c1)O 270004a_100020643023_100000188321 [1,1,0,0,0,0|1,0,1]=4 3594 B12R1.28 CCCNCc1cccc(c1)O 271570a_203496583355_100015184641 [1,1,0,0,0,0|1,0,1]=4 3595 B12R1.28 CCCNCc1cccc(c1)O 34a_100000743036_100000210303 [1,1,0,0,0,0|1,0,1]=4 3596 B12R1.28 CCCOCc1cc(ccn1)Br 34a_100000210258_100010173614 [1,1,0,0,0,0|1,0,1]=4 3597 B12R1.28 CCCOCc1cc(ccn1)C 34a_100000210258_100000718516 [1,1,0,0,0,0|1,0,1]=4 3598 B12R1.28 CCCOCc1cc(ccn1)C 34a_100011998357_100000210303 [1,1,0,0,0,0|1,0,1]=4 3599 B12R1.28 CCCOCc1cc(ccn1)Cl 34a_100000210258_100016988179 [1,1,0,0,0,0|1,0,1]=4 3600 B12R1.28 CCCOCc1cc(ccn1)Cl 34a_100000748867_100000210303 [1,1,0,0,0,0|1,0,1]=4 3601 B12R1.28 CCCOCc1cc(ccn1)N 34a_100000692640_100000210303 [1,1,0,0,0,0|1,0,1]=4 3602 B12R1.28 CCCOCc1ccc[n+](c1)[O-] 34a_100000037817_100000210303 [1,1,0,0,0,0|1,0,1]=4 3603 B12R1.28 CCCOCc1ccc[n+](c1)[O-] 7a_100000037817_100000210303 [1,1,0,0,0,0|1,0,1]=4 3604 B12R1.28 CCCOCc1cccc(c1)Br 34a_100000210258_100000698116 [1,1,0,0,0,0|0,0,1]=3 3605 B12R1.28 CCCOCc1cccc(c1)Br 34a_100000687537_100000210303 [1,1,0,0,0,0|0,0,1]=3 3606 B12R1.28 CCCOCc1cccc(c1)Br 7a_100000687537_100000210303 [1,1,0,0,0,0|0,0,1]=3 3607 B12R1.28 CCCOCc1cccc(c1)C 34a_100000210258_100000211840 [1,1,0,0,0,0|0,0,1]=3 3608 B12R1.28 CCCOCc1cccc(c1)C 34a_100011217746_100000210303 [1,1,0,0,0,0|0,0,1]=3 3609 B12R1.28 CCCOCc1cccc(c1)C 7a_100011217746_100000210303 [1,1,0,0,0,0|0,0,1]=3 3610 B12R1.28 CCCOCc1cccc(c1)Cl 34a_100000210258_100000187163 [1,1,0,0,0,0|0,0,1]=3 3611 B12R1.28 CCCOCc1cccc(c1)Cl 34a_100000241301_100000210303 [1,1,0,0,0,0|0,0,1]=3 3612 B12R1.28 CCCOCc1cccc(c1)Cl 7a_100000241301_100000210303 [1,1,0,0,0,0|0,0,1]=3 3613 B12R1.28 CCCOCc1cccc(c1)F 34a_100000210258_100000187166 [1,1,0,0,0,0|0,0,1]=3 3614 B12R1.28 CCCOCc1cccc(c1)F 34a_100000210976_100000210303 [1,1,0,0,0,0|0,0,1]=3 3615 B12R1.28 CCCOCc1cccc(c1)F 7a_100000210976_100000210303 [1,1,0,0,0,0|0,0,1]=3 3616 B12R1.28 CCCOCc1cccc(c1)I 34a_100000210258_100011218688 [1,1,0,0,0,0|0,0,1]=3 3617 B12R1.28 CCCOCc1cccc(c1)I 34a_100011215336_100000210303 [1,1,0,0,0,0|0,0,1]=3 3618 B12R1.28 CCCOCc1cccc(c1)I 7a_100011215336_100000210303 [1,1,0,0,0,0|0,0,1]=3 3619 B12R1.28 CCCOCc1cccc(c1)N 34a_100000211919_100000210303 [1,1,0,0,0,0|0,0,1]=3 3620 B12R1.28 CCCOCc1cccc(c1)O 34a_100000210258_100011660834 [1,1,0,0,0,0|0,0,1]=3 3621 B12R1.28 CCCOCc1cccc(n1)Br 34a_100000210258_100009889011 [1,1,0,0,0,0|1,0,1]=4 3622 B12R1.28 CCCOCc1cccc(n1)Br 34a_100000694195_100000210303 [1,1,0,0,0,0|1,0,1]=4 3623 B12R1.28 CCCOCc1cccc(n1)C 34a_100000210258_100000757606 [1,1,0,0,0,0|1,0,1]=4 3624 B12R1.28 CCCOCc1cccc(n1)C 34a_100000690600_100000210303 [1,1,0,0,0,0|1,0,1]=4 3625 B12R1.28 CCCOCc1cccc(n1)Cl 34a_100000210258_100000086093 [1,1,0,0,0,0|1,0,1]=4 3626 B12R1.28 CCCOCc1cccc(n1)Cl 34a_100011998359_100000210303 [1,1,0,0,0,0|1,0,1]=4 3627 B12R1.28 CCCOCc1cccc(n1)F 34a_100000086748_100000210303 [1,1,0,0,0,0|1,0,1]=4 3628 B12R1.28 CCCOCc1cccc(n1)F 34a_100000210258_100009819644 [1,1,0,0,0,0|1,0,1]=4 3629 B12R1.28 CCCOCc1ccnc(c1)Br 34a_100000210258_100010243470 [1,1,0,0,0,0|1,0,1]=4 3630 B12R1.28 CCCOCc1ccnc(c1)Br 34a_100009814636_100000210303 [1,1,0,0,0,0|1,0,1]=4 3631 B12R1.28 CCCOCc1ccnc(c1)Br 7a_100009814636_100000210303 [1,1,0,0,0,0|1,0,1]=4 3632 B12R1.28 CCCOCc1ccnc(c1)C 34a_100000210258_200020672517 [1,1,0,0,0,0|1,0,1]=4 3633 B12R1.28 CCCOCc1ccnc(c1)C 34a_100011998630_100000210303 [1,1,0,0,0,0|1,0,1]=4 3634 B12R1.28 CCCOCc1ccnc(c1)Cl 34a_100000210258_100000764220 [1,1,0,0,0,0|1,0,1]=4 3635 B12R1.28 CCCOCc1ccnc(c1)Cl 34a_100000748751_100000210303 [1,1,0,0,0,0|1,0,1]=4 3636 B12R1.28 CCCOCc1ccnc(c1)F 34a_100000082451_100000210303 [1,1,0,0,0,0|1,0,1]=4 3637 B12R1.28 CCCOCc1cncc(c1)Br 34a_100000210258_100000738771 [1,1,0,0,0,0|1,0,1]=4 3638 B12R1.28 CCCOCc1cncc(c1)Br 34a_100011259137_100000210303 [1,1,0,0,0,0|1,0,1]=4 3639 B12R1.28 CCCOCc1cncc(c1)Br 7a_100011259137_100000210303 [1,1,0,0,0,0|1,0,1]=4 3640 B12R1.28 CCCOCc1cncc(c1)C 34a_100000210258_100000716715 [1,1,0,0,0,0|1,0,1]=4 3641 B12R1.28 CCCOCc1cncc(c1)C 34a_100011998709_100000210303 [1,1,0,0,0,0|1,0,1]=4 3642 B12R1.28 CCCOCc1cncc(c1)C 7a_100011998709_100000210303 [1,1,0,0,0,0|1,0,1]=4 3643 B12R1.28 CCCOCc1cncc(c1)Cl 34a_100000092867_100000210303 [1,1,0,0,0,0|1,0,1]=4 3644 B12R1.28 CCCOCc1cncc(c1)Cl 34a_100000210258_100016992070 [1,1,0,0,0,0|1,0,1]=4 3645 B12R1.28 CCCOCc1cncc(c1)Cl 7a_100000092867_100000210303 [1,1,0,0,0,0|1,0,1]=4 3646 B12R1.28 CCCOCc1cncc(c1)F 34a_100000210258_100000725299 [1,1,0,0,0,0|1,0,1]=4 3647 B12R1.28 CCCOCc1cncc(c1)F 34a_100011962875_100000210303 [1,1,0,0,0,0|1,0,1]=4 3648 B12R1.28 CCCOCc1cncc(c1)F 7a_100011962875_100000210303 [1,1,0,0,0,0|1,0,1]=4 3649 B12R1.28 CCCOCc1cncc(c1)N 34a_100000085308_100000210303 [1,1,0,0,0,0|1,0,1]=4 3650 B12R1.28 CCCSCc1cccc(c1)Br 62a_100000210303_100000211773 [1,1,0,0,0,0|0,1,1]=4 3651 B12R1.28 CCCSCc1cccc(c1)Br 62a_100000211773_100000210303 [1,1,0,0,0,0|0,1,1]=4 3652 B12R1.28 CCCSCc1cccc(c1)C 62a_100000210303_100000211840 [1,1,0,0,0,0|0,1,1]=4 3653 B12R1.28 CCCSCc1cccc(c1)C 62a_100000211840_100000210303 [1,1,0,0,0,0|0,1,1]=4 3654 B12R1.28 CCCSCc1cccc(c1)Cl 62a_100000187163_100000210303 [1,1,0,0,0,0|0,1,1]=4 3655 B12R1.28 CCCSCc1cccc(c1)Cl 62a_100000210303_100000187163 [1,1,0,0,0,0|0,1,1]=4 3656 B12R1.28 CCCSCc1cccc(c1)F 62a_100000210303_100000230114 [1,1,0,0,0,0|0,1,1]=4 3657 B12R1.28 CCCSCc1cccc(c1)F 62a_100000230114_100000210303 [1,1,0,0,0,0|0,1,1]=4 3658 B12R1.28 CCCSCc1cccc(c1)I 62a_100000210303_100011218688 [1,1,0,0,0,0|0,1,1]=4 3659 B12R1.28 CCCSCc1cccc(c1)I 62a_100011218688_100000210303 [1,1,0,0,0,0|0,1,1]=4 3660 B12R1.28 CCCSCc1cccc(c1)O 62a_100000210303_100011660834 [1,1,0,0,0,0|0,1,1]=4 3661 B12R1.28 CCCSCc1cccc(c1)O 62a_100011660834_100000210303 [1,1,0,0,0,0|0,1,1]=4 3662 B12R1.28 CCNN=Cc1cccc(c1)Br 4a_100000756455_100000210085 [1,1,0,0,0,0|2,0,0]=4 3663 B12R1.28 CCNN=Cc1cccc(c1)C 4a_100000756455_100000211157 [1,1,0,0,0,0|2,0,0]=4 3664 B12R1.28 CCNN=Cc1cccc(c1)Cl 4a_100000756455_100000210801 [1,1,0,0,0,0|2,0,0]=4 3665 B12R1.28 CCNN=Cc1cccc(c1)F 4a_100000756455_100000210812 [1,1,0,0,0,0|2,0,0]=4 3666 B12R1.28 CCNN=Cc1cccc(c1)I 4a_100000756455_100000014684 [1,1,0,0,0,0|2,0,0]=4 3667 B12R1.28 CCNN=Cc1cccc(c1)O 4a_100000756455_100000188321 [1,1,0,0,0,0|2,0,0]=4 3668 B12R1.28 CCOC=Cc1cccc(c1)Br 271570a_100016256518_100000691529 [1,1,0,0,0,0|2,0,0]=4 3669 B12R1.28 CCOC=Cc1cccc(c1)C 271570a_100016256518_100011215228 [1,1,0,0,0,0|2,0,0]=4 3670 B12R1.28 CCOC=Cc1cccc(c1)Cl 271570a_100016256518_100000699651 [1,1,0,0,0,0|2,0,0]=4 3671 B12R1.28 CCOC=Cc1cccc(c1)F 271570a_100016256518_100000685547 [1,1,0,0,0,0|2,0,0]=4 3672 B12R1.28 CCOC=Cc1cccc(c1)N 271570a_100016256518_100000210019 [1,1,0,0,0,0|2,0,0]=4 3673 B12R1.28 CCOC=Cc1cccc(c1)O 271570a_100016256518_100000211634 [1,1,0,0,0,0|2,0,0]=4 3674 B12R1.28 CCOC=Cc1cccc(c1)[S] 271570a_100016256518_114929384022 [1,1,0,0,0,0|2,0,0]=4 3675 B12R1.28 CNCC=Cc1cccc(c1)C 270004a_106832991635_100102525846 [1,1,0,0,0,0|2,0,0]=4 3676 B12R1.28 CNCC=Cc1cccc(c1)Cl 270004a_106832991635_100016268971 [1,1,0,0,0,0|2,0,0]=4 3677 B12R1.28 COCC=Cc1cccc(c1)Br 271570a_100016286323_100000691529 [1,1,0,0,0,0|2,0,0]=4 3678 B12R1.28 COCC=Cc1cccc(c1)C 271570a_100016286323_100011215228 [1,1,0,0,0,0|2,0,0]=4 3679 B12R1.28 COCC=Cc1cccc(c1)Cl 271570a_100016286323_100000699651 [1,1,0,0,0,0|2,0,0]=4 3680 B12R1.28 COCC=Cc1cccc(c1)F 271570a_100016286323_100000685547 [1,1,0,0,0,0|2,0,0]=4 3681 B12R1.28 COCC=Cc1cccc(c1)N 271570a_100016286323_100000210019 [1,1,0,0,0,0|2,0,0]=4 3682 B12R1.28 COCC=Cc1cccc(c1)O 271570a_100016286323_100000211634 [1,1,0,0,0,0|2,0,0]=4 3683 B12R1.28 COCC=Cc1cccc(c1)[S] 271570a_100016286323_114929384022 [1,1,0,0,0,0|2,0,0]=4 3684 B12R1.28 CSCOCc1cccc(c1)Br 34a_100000687537_100011218213 [1,1,0,0,0,0|1,0,1]=4 3685 B12R1.28 CSCOCc1cccc(c1)C 34a_100011217746_100011218213 [1,1,0,0,0,0|1,0,1]=4 3686 B12R1.28 CSCOCc1cccc(c1)Cl 34a_100000241301_100011218213 [1,1,0,0,0,0|1,0,1]=4 3687 B12R1.28 CSCOCc1cccc(c1)F 34a_100000210976_100011218213 [1,1,0,0,0,0|1,0,1]=4 3688 B12R1.28 CSCOCc1cccc(c1)I 34a_100011215336_100011218213 [1,1,0,0,0,0|1,0,1]=4 3689 B12R1.28 CSCOCc1cccc(c1)N 34a_100000211919_100011218213 [1,1,0,0,0,0|1,0,1]=4 3690 B12R1.28 Cc1cccc(c1)COCCBr 34a_100000211926_100000211840 [1,1,0,0,0,0|1,0,1]=4 3691 B12R1.28 Cc1cccc(c1)COCCF 34a_100011217746_100011217306 [1,1,0,0,0,0|1,0,1]=4 3692 B12R1.28 Cc1cccc(c1)COCCF 7a_100011217746_100011217306 [1,1,0,0,0,0|1,0,1]=4 3693 B12R1.28 Cc1cccc(c1)COCCN 34a_100000210304_100000211840 [1,1,0,0,0,0|1,0,1]=4 3694 B12R1.28 Cc1cccc(c1)COCCO 34a_100011217746_100000211926 [1,1,0,0,0,0|1,0,1]=4 3695 B12R1.28 Cc1cccc(c1)COCCO 7a_100011217746_100000211926 [1,1,0,0,0,0|1,0,1]=4 3696 B12R1.28 Clc1cccc(c1)COCCBr 34a_100000211926_100000187163 [1,1,0,0,0,0|1,0,1]=4 3697 B12R1.28 FCCOCc1cccc(c1)Br 34a_100000687537_100011217306 [1,1,0,0,0,0|1,0,1]=4 3698 B12R1.28 FCCOCc1cccc(c1)Br 7a_100000687537_100011217306 [1,1,0,0,0,0|1,0,1]=4 3699 B12R1.28 FCCOCc1cccc(c1)Cl 34a_100000241301_100011217306 [1,1,0,0,0,0|1,0,1]=4 3700 B12R1.28 FCCOCc1cccc(c1)Cl 7a_100000241301_100011217306 [1,1,0,0,0,0|1,0,1]=4 3701 B12R1.28 FCCOCc1cccc(c1)F 34a_100000210976_100011217306 [1,1,0,0,0,0|1,0,1]=4 3702 B12R1.28 FCCOCc1cccc(c1)F 7a_100000210976_100011217306 [1,1,0,0,0,0|1,0,1]=4 3703 B12R1.28 FCCOCc1cccc(c1)I 34a_100011215336_100011217306 [1,1,0,0,0,0|1,0,1]=4 3704 B12R1.28 FCCOCc1cccc(c1)I 7a_100011215336_100011217306 [1,1,0,0,0,0|1,0,1]=4 3705 B12R1.28 Fc1cccc(c1)COCCBr 34a_100000211926_100000187166 [1,1,0,0,0,0|1,0,1]=4 3706 B12R1.28 NCCOCc1cccc(c1)Br 34a_100000210304_100000698116 [1,1,0,0,0,0|1,0,1]=4 3707 B12R1.28 NCCOCc1cccc(c1)Cl 34a_100000210304_100000187163 [1,1,0,0,0,0|1,0,1]=4 3708 B12R1.28 NCCOCc1cccc(c1)F 34a_100000210304_100000187166 [1,1,0,0,0,0|1,0,1]=4 3709 B12R1.28 NCCOCc1cccc(c1)I 34a_100000210304_100011218688 [1,1,0,0,0,0|1,0,1]=4 3710 B12R1.28 NCCOCc1cccc(c1)O 34a_100000210304_100011660834 [1,1,0,0,0,0|1,0,1]=4 3711 B12R1.28 Nc1cccc(c1)COCCF 34a_100000211919_100011217306 [1,1,0,0,0,0|1,0,1]=4 3712 B12R1.28 Nc1cccc(c1)COCCO 34a_100000211919_100000211926 [1,1,0,0,0,0|1,0,1]=4 3713 B12R1.28 OCCOCc1cccc(c1)Br 34a_100000687537_100000211926 [1,1,0,0,0,0|1,0,1]=4 3714 B12R1.28 OCCOCc1cccc(c1)Br 7a_100000687537_100000211926 [1,1,0,0,0,0|1,0,1]=4 3715 B12R1.28 OCCOCc1cccc(c1)Cl 34a_100000241301_100000211926 [1,1,0,0,0,0|1,0,1]=4 3716 B12R1.28 OCCOCc1cccc(c1)Cl 7a_100000241301_100000211926 [1,1,0,0,0,0|1,0,1]=4 3717 B12R1.28 OCCOCc1cccc(c1)F 34a_100000210976_100000211926 [1,1,0,0,0,0|1,0,1]=4 3718 B12R1.28 OCCOCc1cccc(c1)F 7a_100000210976_100000211926 [1,1,0,0,0,0|1,0,1]=4 3719 B12R1.28 OCCOCc1cccc(c1)I 34a_100011215336_100000211926 [1,1,0,0,0,0|1,0,1]=4 3720 B12R1.28 OCCOCc1cccc(c1)I 7a_100011215336_100000211926 [1,1,0,0,0,0|1,0,1]=4 3721 B12R1.28 Oc1cccc(c1)COCCBr 34a_100000211926_100011660834 [1,1,0,0,0,0|1,0,1]=4 3722 B12R1.32 C/C(=C\c1ccccc1)/CO[13CH3] 34a_200025717232_200025704644 [1,1,0,0,0,0|2,0,0]=4 3723 B12R1.32 C/C(=C\c1ccccc1)/CO[13CH3] 7a_200025717232_200025704644 [1,1,0,0,0,0|2,0,0]=4 3724 B12R1.32 CCCC(=O)Cc1ccccc1 1458a_100000211992_100015291786 [1,1,0,0,0,0|1,0,1]=4 3725 B12R1.32 CCCC(=O)Nc1ccccc1 11a_100000106764_100000211992 [1,1,0,0,0,0|2,0,0]=4 3726 B12R1.32 CCCC(=O)Nc1ccccc1 1626a_100000106764_100000211992 [1,1,0,0,0,0|2,0,0]=4 3727 B12R1.32 CCCC(=O)Nc1ccccc1 22a_100000106764_100000211992 [1,1,0,0,0,0|2,0,0]=4 3728 B12R1.32 CCCC(=O)Nc1ccccc1 527a_100000106764_100000211992 [1,1,0,0,0,0|2,0,0]=4 3729 B12R1.32 CCCC(C)Nc1ccccc1 34a_100000106764_100000766640 [1,1,0,0,0,0|2,0,0]=4 3730 B12R1.32 CCCC(C)Oc1ccccc1 34a_100000210340_100000766640 [1,1,0,0,0,0|2,0,0]=4 3731 B12R1.32 CCCC(C)Oc1ccccc1 7a_100000210340_100000766640 [1,1,0,0,0,0|2,0,0]=4 3732 B12R1.32 CCCC(C)Sc1ccccc1 62a_100000719477_100000766640 [1,1,0,0,0,0|2,0,0]=4 3733 B12R1.32 CCCC(C)Sc1ccccc1 62a_100000766640_100000041952 [1,1,0,0,0,0|2,0,0]=4 3734 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000184400_200000210301 [1,1,0,0,0,0|1,0,1]=4 3735 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000186898_100000210303 [1,1,0,0,0,0|1,0,1]=4 3736 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000747261_100015291786 [1,1,0,0,0,0|1,0,1]=4 3737 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000184400_200000210301 [1,1,0,0,0,0|1,0,1]=4 3738 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000186898_100000210303 [1,1,0,0,0,0|1,0,1]=4 3739 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000747261_100000211182 [1,1,0,0,0,0|1,0,1]=4 3740 B12R1.32 CCCN(C)Cc1ccccc1 270004a_100000747261_100015611070 [1,1,0,0,0,0|1,0,1]=4 3741 B12R1.32 CCCN([13CH3])Cc1ccccc1 2230a_100000184400_200025704644 [1,1,0,0,0,0|1,0,1]=4 3742 B12R1.32 CCCN([13CH3])Cc1ccccc1 269982a_100000184400_200025704644 [1,1,0,0,0,0|1,0,1]=4 3743 B12R1.32 COC/C(=C/c1ccccc1)/C 34a_200025717232_200000210301 [1,1,0,0,0,0|2,0,0]=4 3744 B12R1.32 COC/C(=C/c1ccccc1)/C 7a_200025717232_200000210301 [1,1,0,0,0,0|2,0,0]=4 3745 B12R1.252 C=C(C)COCc1ccccc1 34a_100000210245_100015291786 [1,1,0,0,0,0|0,0,2]=4 3746 B12R1.252 C=C(C)COCc1ccccc1 34a_100000210790_100000748629 [1,1,0,0,0,0|0,0,2]=4 3747 B12R1.252 C=C(C)COCc1ccccc1 7a_100000210790_100000748629 [1,1,0,0,0,0|0,0,2]=4 3748 B12R1.252 CC(=O)C/C=C/c1ccccc1 1458a_100000070787_100016265936 [1,1,0,0,0,0|1,0,1]=4 3749 B12R1.252 CC(=O)C/C=C/c1ccccc1 1458a_100011219626_200000210301 [1,1,0,0,0,0|1,0,1]=4 3750 B12R1.252 CC(=O)COCc1ccccc1 1458a_100000230186_200000210301 [1,1,0,0,0,0|0,0,2]=4 3751 B12R1.252 CC(=O)COCc1ccccc1 34a_100000211253_100015291786 [1,1,0,0,0,0|0,0,2]=4 3752 B12R1.252 CC(Br)COCc1ccccc1 34a_100012180447_100015291786 [1,1,0,0,0,0|0,0,1]=3 3753 B12R1.252 CC(Br)COCc1ccccn1 34a_100012180447_100000721315 [1,1,0,0,0,0|1,0,1]=4 3754 B12R1.252 CC(Br)COCc1cccnc1 34a_100012180447_100000733263 [1,1,0,0,0,0|1,0,1]=4 3755 B12R1.252 CC(C)CC=Cc1ccccc1 271570a_100016259101_100000210277 [1,1,0,0,0,0|1,0,0]=3 3756 B12R1.252 CC(C)CC=Cc1ccccn1 271570a_100016259101_100011216584 [1,1,0,0,0,0|2,0,0]=4 3757 B12R1.252 CC(C)CC=Cc1cccnc1 271570a_100016259101_100000752921 [1,1,0,0,0,0|2,0,0]=4 3758 B12R1.252 CC(C)CC=Cc1ccncc1 271570a_100016259101_100000035832 [1,1,0,0,0,0|2,0,0]=4 3759 B12R1.252 CC(C)CCNc1ccccc1 34a_100000106764_100000210312 [1,1,0,0,0,0|2,0,0]=4 3760 B12R1.252 CC(C)CCOc1ccccc1 34a_100000210340_100000210312 [1,1,0,0,0,0|2,0,0]=4 3761 B12R1.252 CC(C)CCOc1ccccc1 7a_100000210340_100000210626 [1,1,0,0,0,0|2,0,0]=4 3762 B12R1.252 CC(C)CCSc1ccccc1 62a_100000210312_100000041952 [1,1,0,0,0,0|2,0,0]=4 3763 B12R1.252 CC(C)CCSc1ccccc1 62a_100000719477_100000210312 [1,1,0,0,0,0|2,0,0]=4 3764 B12R1.252 CC(C)CNCc1ccccc1 207a_100000210953_100015611070 [1,1,0,0,0,0|1,0,1]=4 3765 B12R1.252 CC(C)CNCc1ccccc1 2230a_100000210953_100015291786 [1,1,0,0,0,0|1,0,1]=4 3766 B12R1.252 CC(C)CNCc1ccccc1 2230a_100015324214_100000210760 [1,1,0,0,0,0|1,0,1]=4 3767 B12R1.252 CC(C)CNCc1ccccc1 270004a_100000210953_100015611070 [1,1,0,0,0,0|1,0,1]=4 3768 B12R1.252 CC(C)CNCc1ccccc1 270004a_100015324214_100000210432 [1,1,0,0,0,0|1,0,1]=4 3769 B12R1.252 CC(C)CNCc1ccccc1 34a_100000210953_100015291786 [1,1,0,0,0,0|1,0,1]=4 3770 B12R1.252 CC(C)CNCc1ccccc1 34a_100015324214_100000210624 [1,1,0,0,0,0|1,0,1]=4 3771 B12R1.252 CC(C)COCc1ccccc1 34a_100000210257_100015291786 [1,1,0,0,0,0|0,0,1]=3 3772 B12R1.252 CC(C)COCc1ccccc1 34a_100000210790_100000210624 [1,1,0,0,0,0|0,0,1]=3 3773 B12R1.252 CC(C)COCc1ccccc1 7a_100000210790_100000210760 [1,1,0,0,0,0|0,0,1]=3 3774 B12R1.252 CC(C)COCc1ccccn1 34a_100000210257_100000721315 [1,1,0,0,0,0|1,0,1]=4 3775 B12R1.252 CC(C)COCc1cccnc1 34a_100000210257_100000733263 [1,1,0,0,0,0|1,0,1]=4 3776 B12R1.252 CC(C)CSCc1ccccc1 62a_100000210624_100015291786 [1,1,0,0,0,0|0,1,1]=4 3777 B12R1.252 CC(C)CSCc1ccccc1 62a_100000211182_100000210760 [1,1,0,0,0,0|0,1,1]=4 3778 B12R1.252 CC(C)NN=Cc1ccccc1 4a_100000741168_100015611070 [1,1,0,0,0,0|2,0,0]=4 3779 B12R1.252 CC(F)COCc1ccccc1 34a_100015925927_100015291786 [1,1,0,0,0,0|0,0,1]=3 3780 B12R1.252 CC(F)COCc1ccccn1 34a_100015925927_100000721315 [1,1,0,0,0,0|1,0,1]=4 3781 B12R1.252 CC(F)COCc1cccnc1 34a_100015925927_100000733263 [1,1,0,0,0,0|1,0,1]=4 3782 B12R1.252 CC(O)CCNc1ccccc1 34a_100000106764_100012276601 [1,1,0,0,0,0|2,0,0]=4 3783 B12R1.252 CC(O)CCOc1ccccc1 34a_100000210340_100012276601 [1,1,0,0,0,0|2,0,0]=4 3784 B12R1.252 CC(O)CCOc1ccccc1 7a_100000210340_100012276601 [1,1,0,0,0,0|2,0,0]=4 3785 B12R1.252 CC(O)CCSc1ccccc1 62a_100000719477_100012276601 [1,1,0,0,0,0|2,0,0]=4 3786 B12R1.252 CC(O)CCSc1ccccc1 62a_100012276601_100000041952 [1,1,0,0,0,0|2,0,0]=4 3787 B12R1.252 CC(O)CNCc1ccccc1 207a_100000210904_100015611070 [1,1,0,0,0,0|1,0,1]=4 3788 B12R1.252 CC(O)CNCc1ccccc1 2230a_100000210904_100015291786 [1,1,0,0,0,0|1,0,1]=4 3789 B12R1.252 CC(O)CNCc1ccccc1 2230a_100015324214_100011218427 [1,1,0,0,0,0|1,0,1]=4 3790 B12R1.252 CC(O)CNCc1ccccc1 270004a_100000210904_100015611070 [1,1,0,0,0,0|1,0,1]=4 3791 B12R1.252 CC(O)CNCc1ccccc1 34a_100000210904_100015291786 [1,1,0,0,0,0|1,0,1]=4 3792 B12R1.252 CC(O)CNCc1ccccc1 34a_100015324214_100011218427 [1,1,0,0,0,0|1,0,1]=4 3793 B12R1.252 CC(O)COCc1ccccc1 34a_100000210790_100011218427 [1,1,0,0,0,0|0,0,1]=3 3794 B12R1.252 CC(O)COCc1ccccc1 7a_100000210790_100011218427 [1,1,0,0,0,0|0,0,1]=3 3795 B12R1.252 CC(O)CSCc1ccccc1 62a_100000211182_100011218427 [1,1,0,0,0,0|0,1,1]=4 3796 B12R1.252 CC(O)CSCc1ccccc1 62a_100011218427_100015291786 [1,1,0,0,0,0|0,1,1]=4 3797 B12R1.252 CN(C)C/C=C/c1ccccc1 2230a_100102631434_100016265936 [1,1,0,0,0,0|2,0,0]=4 3798 B12R1.252 CN(C)C/C=C/c1ccccc1 269982a_100102631434_100016265936 [1,1,0,0,0,0|2,0,0]=4 3799 B12R1.252 CN(C)CC=Cc1ccccc1 270004a_100102631434_100000210105 [1,1,0,0,0,0|2,0,0]=4 3800 B12R1.252 CN(C)COCc1ccccc1 2230a_100102631434_100000763385 [1,1,0,0,0,0|1,0,1]=4 3801 B12R1.252 C[C@@H](Cl)COCc1ccccc1 34a_100016084084_100015291786 [1,1,0,0,0,0|0,0,1]=3 3802 B12R1.252 C[C@@H](Cl)COCc1ccccn1 34a_100016084084_100000721315 [1,1,0,0,0,0|1,0,1]=4 3803 B12R1.252 C[C@@H](Cl)COCc1cccnc1 34a_100016084084_100000733263 [1,1,0,0,0,0|1,0,1]=4 3804 B12R1.252 C[C@@H](N)COCc1ccccc1 34a_100000737577_100015291786 [1,1,0,0,0,0|0,0,1]=3 3805 B12R1.252 C[C@@H](N)COCc1ccccn1 34a_100000737577_100000721315 [1,1,0,0,0,0|1,0,1]=4 3806 B12R1.252 C[C@@H](N)COCc1cccnc1 34a_100000737577_100000733263 [1,1,0,0,0,0|1,0,1]=4 3807 B12R1.252 C[C@@H](O)CNCc1ccccc1 2230a_100015324214_100009817552 [1,1,0,0,0,0|1,0,1]=4 3808 B12R1.252 C[C@@H](O)CNCc1ccccc1 34a_100015324214_100009817552 [1,1,0,0,0,0|1,0,1]=4 3809 B12R1.252 C[C@@H](O)COCc1ccccc1 34a_100000210790_100009817552 [1,1,0,0,0,0|0,0,1]=3 3810 B12R1.252 C[C@@H](O)COCc1ccccc1 7a_100000210790_100009817552 [1,1,0,0,0,0|0,0,1]=3 3811 B12R1.252 C[C@@H](O)CSCc1ccccc1 62a_100000211182_100009817552 [1,1,0,0,0,0|0,1,1]=4 3812 B12R1.252 C[C@@H](O)CSCc1ccccc1 62a_100009817552_100015291786 [1,1,0,0,0,0|0,1,1]=4 3813 B12R1.252 FC(F)COCc1ccccc1 34a_100000210790_100011934356 [1,1,0,0,0,0|1,0,1]=4 3814 B12R1.252 FC(F)COCc1ccccc1 34a_100000743014_100015291786 [1,1,0,0,0,0|1,0,1]=4 3815 B12R1.252 FC(F)COCc1ccccc1 7a_100000210790_100011934356 [1,1,0,0,0,0|1,0,1]=4 3816 B12R1.252 [13CH3]C(=O)C/C=C/c1ccccc1 1458a_100011219626_200025704644 [1,1,0,0,0,0|1,0,1]=4 3817 B12R1.252 [13CH3]C(=O)COCc1ccccc1 1458a_100000230186_200025704644 [1,1,0,0,0,0|0,0,2]=4 3818 B12R1.267 BrCCOCc1ccccc1Br 34a_100000211926_100000184730 [1,1,0,0,0,0|1,0,1]=4 3819 B12R1.267 BrCCOCc1ccccc1I 34a_100000211926_100011215278 [1,1,0,0,0,0|1,0,1]=4 3820 B12R1.267 CCCC=Cc1c[nH]ccc1=O 271570a_100016258520_100009998708 [1,1,0,0,0,0|2,0,0]=4 3821 B12R1.267 CCCC=Cc1c[nH]ccc1=S 271570a_100016258520_200012280681 [1,1,0,0,0,0|2,0,0]=4 3822 B12R1.267 CCCC=Cc1ccc[nH]c1=O 271570a_100016258520_100000050042 [1,1,0,0,0,0|2,0,0]=4 3823 B12R1.267 CCCC=Cc1cccc[n+]1C 271570a_100016258520_100000212160 [1,1,0,0,0,0|2,0,0]=4 3824 B12R1.267 CCCC=Cc1cccc[n+]1[O-] 271570a_100016258520_200000042595 [1,1,0,0,0,0|2,0,0]=4 3825 B12R1.267 CCCC=Cc1ccccc1Br 271570a_100016258520_100000695589 [1,1,0,0,0,0|1,0,0]=3 3826 B12R1.267 CCCC=Cc1ccccc1C 271570a_100016258520_100000210755 [1,1,0,0,0,0|1,0,0]=3 3827 B12R1.267 CCCC=Cc1ccccc1Cl 271570a_100016258520_100000764095 [1,1,0,0,0,0|1,0,0]=3 3828 B12R1.267 CCCC=Cc1ccccc1F 271570a_100016258520_100011215700 [1,1,0,0,0,0|1,0,0]=3 3829 B12R1.267 CCCC=Cc1ccccc1N 271570a_100016258520_100000210017 [1,1,0,0,0,0|1,0,0]=3 3830 B12R1.267 CCCC=Cc1ccccc1O 271570a_100016258520_100000739446 [1,1,0,0,0,0|1,0,0]=3 3831 B12R1.267 CCCC=Cc1cccnc1Br 271570a_100016258520_100010202626 [1,1,0,0,0,0|2,0,0]=4 3832 B12R1.267 CCCC=Cc1cccnc1C 271570a_100016258520_100000751574 [1,1,0,0,0,0|2,0,0]=4 3833 B12R1.267 CCCC=Cc1cccnc1Cl 271570a_100016258520_100000036424 [1,1,0,0,0,0|2,0,0]=4 3834 B12R1.267 CCCC=Cc1cccnc1F 271570a_100016258520_100009816115 [1,1,0,0,0,0|2,0,0]=4 3835 B12R1.267 CCCC=Cc1cccnc1N 271570a_100016258520_100000045569 [1,1,0,0,0,0|2,0,0]=4 3836 B12R1.267 CCCC=Cc1ccncc1Br 271570a_100016258520_100000726257 [1,1,0,0,0,0|2,0,0]=4 3837 B12R1.267 CCCC=Cc1ccncc1C 271570a_100016258520_100015191297 [1,1,0,0,0,0|2,0,0]=4 3838 B12R1.267 CCCC=Cc1ccncc1Cl 271570a_100016258520_100000708259 [1,1,0,0,0,0|2,0,0]=4 3839 B12R1.267 CCCC=Cc1ccncc1F 271570a_100016258520_100000047030 [1,1,0,0,0,0|2,0,0]=4 3840 B12R1.267 CCCC=Cc1ccncc1N 271570a_100016258520_100009815883 [1,1,0,0,0,0|2,0,0]=4 3841 B12R1.267 CCCC=Cc1ccncc1O 271570a_100016258520_100009817591 [1,1,0,0,0,0|2,0,0]=4 3842 B12R1.267 CCCC=Cc1cnccc1Br 271570a_100016258520_100010138639 [1,1,0,0,0,0|2,0,0]=4 3843 B12R1.267 CCCC=Cc1cnccc1C 271570a_100016258520_100000761580 [1,1,0,0,0,0|2,0,0]=4 3844 B12R1.267 CCCC=Cc1cnccc1Cl 271570a_100016258520_100009995489 [1,1,0,0,0,0|2,0,0]=4 3845 B12R1.267 CCCC=Cc1cnccc1F 271570a_100016258520_100009820683 [1,1,0,0,0,0|2,0,0]=4 3846 B12R1.267 CCCC=Cc1cnccc1N 271570a_100016258520_100000047001 [1,1,0,0,0,0|2,0,0]=4 3847 B12R1.267 CCCC=Cc1ncccc1Br 271570a_100016258520_100000696092 [1,1,0,0,0,0|2,0,0]=4 3848 B12R1.267 CCCC=Cc1ncccc1C 271570a_100016258520_100000751373 [1,1,0,0,0,0|2,0,0]=4 3849 B12R1.267 CCCC=Cc1ncccc1Cl 271570a_100016258520_100011356963 [1,1,0,0,0,0|2,0,0]=4 3850 B12R1.267 CCCC=Cc1ncccc1F 271570a_100016258520_100000685392 [1,1,0,0,0,0|2,0,0]=4 3851 B12R1.267 CCCC=Cc1ncccc1N 271570a_100016258520_100000688686 [1,1,0,0,0,0|2,0,0]=4 3852 B12R1.267 CCCC=Cc1ncccc1O 271570a_100016258520_100000034122 [1,1,0,0,0,0|2,0,0]=4 3853 B12R1.267 CCCCNc1ccccc1Br 34a_100000210017_100000210210 [1,1,0,0,0,0|2,0,0]=4 3854 B12R1.267 CCCCNc1ccccc1C 34a_100015192222_100000210210 [1,1,0,0,0,0|2,0,0]=4 3855 B12R1.267 CCCCNc1ccccc1Cl 34a_100000185783_100000210210 [1,1,0,0,0,0|2,0,0]=4 3856 B12R1.267 CCCCNc1ccccc1F 34a_100000210422_100000210210 [1,1,0,0,0,0|2,0,0]=4 3857 B12R1.267 CCCCNc1ccccc1I 34a_100000210053_100000210210 [1,1,0,0,0,0|2,0,0]=4 3858 B12R1.267 CCCCNc1ccccc1O 34a_100000185747_100000210210 [1,1,0,0,0,0|2,0,0]=4 3859 B12R1.267 CCCCOc1ccccc1Br 34a_100000181306_100000210210 [1,1,0,0,0,0|2,0,0]=4 3860 B12R1.267 CCCCOc1ccccc1Br 7a_100000181306_100000210211 [1,1,0,0,0,0|2,0,0]=4 3861 B12R1.267 CCCCOc1ccccc1C 34a_100000210338_100000210210 [1,1,0,0,0,0|2,0,0]=4 3862 B12R1.267 CCCCOc1ccccc1C 7a_100000210338_100000210211 [1,1,0,0,0,0|2,0,0]=4 3863 B12R1.267 CCCCOc1ccccc1Cl 34a_100000210172_100000210210 [1,1,0,0,0,0|2,0,0]=4 3864 B12R1.267 CCCCOc1ccccc1Cl 7a_100000210172_100000210211 [1,1,0,0,0,0|2,0,0]=4 3865 B12R1.267 CCCCOc1ccccc1F 34a_100000210171_100000210210 [1,1,0,0,0,0|2,0,0]=4 3866 B12R1.267 CCCCOc1ccccc1F 7a_100000210171_100000210211 [1,1,0,0,0,0|2,0,0]=4 3867 B12R1.267 CCCCOc1ccccc1I 34a_100000739446_100000210210 [1,1,0,0,0,0|2,0,0]=4 3868 B12R1.267 CCCCOc1ccccc1I 7a_100000739446_100000210211 [1,1,0,0,0,0|2,0,0]=4 3869 B12R1.267 CCCCOc1ccccc1N 34a_100000185747_100000210210 [1,1,0,0,0,0|2,0,0]=4 3870 B12R1.267 CCCCOc1ccccc1N 7a_100000185747_100000210211 [1,1,0,0,0,0|2,0,0]=4 3871 B12R1.267 CCCCOc1ccccc1O 271570a_203496583355_100000230755 [1,1,0,0,0,0|2,0,0]=4 3872 B12R1.267 CCCCSc1ccccc1Br 62a_100000210211_100000695589 [1,1,0,0,0,0|2,0,0]=4 3873 B12R1.267 CCCCSc1ccccc1Br 62a_100000695589_100000210210 [1,1,0,0,0,0|2,0,0]=4 3874 B12R1.267 CCCCSc1ccccc1C 62a_100000210211_100000210755 [1,1,0,0,0,0|2,0,0]=4 3875 B12R1.267 CCCCSc1ccccc1C 62a_100000210755_100000210210 [1,1,0,0,0,0|2,0,0]=4 3876 B12R1.267 CCCCSc1ccccc1Cl 62a_100000210211_100000764095 [1,1,0,0,0,0|2,0,0]=4 3877 B12R1.267 CCCCSc1ccccc1Cl 62a_100000764095_100000210210 [1,1,0,0,0,0|2,0,0]=4 3878 B12R1.267 CCCCSc1ccccc1F 62a_100000210211_100011215700 [1,1,0,0,0,0|2,0,0]=4 3879 B12R1.267 CCCCSc1ccccc1F 62a_100011215700_100000210210 [1,1,0,0,0,0|2,0,0]=4 3880 B12R1.267 CCCCSc1ccccc1N 62a_100000210017_100000210210 [1,1,0,0,0,0|2,0,0]=4 3881 B12R1.267 CCCCSc1ccccc1N 62a_100000210211_100000210017 [1,1,0,0,0,0|2,0,0]=4 3882 B12R1.267 CCCCSc1ccccc1O 62a_100000210211_100000739446 [1,1,0,0,0,0|2,0,0]=4 3883 B12R1.267 CCCCSc1ccccc1O 62a_100000739446_100000210210 [1,1,0,0,0,0|2,0,0]=4 3884 B12R1.267 CCCNCc1ccccc1Br 207a_100020643023_100000211189 [1,1,0,0,0,0|1,0,1]=4 3885 B12R1.267 CCCNCc1ccccc1Br 2230a_100000689332_100000210303 [1,1,0,0,0,0|1,0,1]=4 3886 B12R1.267 CCCNCc1ccccc1Br 270004a_100020643023_100000211189 [1,1,0,0,0,0|1,0,1]=4 3887 B12R1.267 CCCNCc1ccccc1Br 34a_100000689332_100000210303 [1,1,0,0,0,0|1,0,1]=4 3888 B12R1.267 CCCNCc1ccccc1C 207a_100020643023_100000211143 [1,1,0,0,0,0|1,0,1]=4 3889 B12R1.267 CCCNCc1ccccc1C 270004a_100020643023_100000211143 [1,1,0,0,0,0|1,0,1]=4 3890 B12R1.267 CCCNCc1ccccc1C 34a_100000174972_100000210303 [1,1,0,0,0,0|1,0,1]=4 3891 B12R1.267 CCCNCc1ccccc1Cl 207a_100020643023_100000210073 [1,1,0,0,0,0|1,0,1]=4 3892 B12R1.267 CCCNCc1ccccc1Cl 2230a_100000174879_100000210303 [1,1,0,0,0,0|1,0,1]=4 3893 B12R1.267 CCCNCc1ccccc1Cl 270004a_100020643023_100000210073 [1,1,0,0,0,0|1,0,1]=4 3894 B12R1.267 CCCNCc1ccccc1Cl 34a_100000174879_100000210303 [1,1,0,0,0,0|1,0,1]=4 3895 B12R1.267 CCCNCc1ccccc1F 207a_100020643023_100000210811 [1,1,0,0,0,0|1,0,1]=4 3896 B12R1.267 CCCNCc1ccccc1F 270004a_100020643023_100000210811 [1,1,0,0,0,0|1,0,1]=4 3897 B12R1.267 CCCNCc1ccccc1F 34a_100000174869_100000210303 [1,1,0,0,0,0|1,0,1]=4 3898 B12R1.267 CCCNCc1ccccc1I 207a_100020643023_100000010305 [1,1,0,0,0,0|1,0,1]=4 3899 B12R1.267 CCCNCc1ccccc1I 270004a_100020643023_100000010305 [1,1,0,0,0,0|1,0,1]=4 3900 B12R1.267 CCCNCc1ccccc1O 271570a_203496583355_100000196483 [1,1,0,0,0,0|1,0,1]=4 3901 B12R1.267 CCCNCc1ccccc1O 34a_100000185550_100000210303 [1,1,0,0,0,0|1,0,1]=4 3902 B12R1.267 CCCOCc1ccccc1Br 34a_100000210258_100000184730 [1,1,0,0,0,0|0,0,1]=3 3903 B12R1.267 CCCOCc1ccccc1Br 34a_100000756307_100000210303 [1,1,0,0,0,0|0,0,1]=3 3904 B12R1.267 CCCOCc1ccccc1Br 7a_100000756307_100000210303 [1,1,0,0,0,0|0,0,1]=3 3905 B12R1.267 CCCOCc1ccccc1C 34a_100000210258_100000211839 [1,1,0,0,0,0|0,0,1]=3 3906 B12R1.267 CCCOCc1ccccc1C 34a_100000698903_100000210303 [1,1,0,0,0,0|0,0,1]=3 3907 B12R1.267 CCCOCc1ccccc1C 7a_100000698903_100000210303 [1,1,0,0,0,0|0,0,1]=3 3908 B12R1.267 CCCOCc1ccccc1Cl 34a_100000210258_100000187162 [1,1,0,0,0,0|0,0,1]=3 3909 B12R1.267 CCCOCc1ccccc1Cl 34a_100000210847_100000210303 [1,1,0,0,0,0|0,0,1]=3 3910 B12R1.267 CCCOCc1ccccc1Cl 7a_100000210847_100000210303 [1,1,0,0,0,0|0,0,1]=3 3911 B12R1.267 CCCOCc1ccccc1F 34a_100000210258_100000211605 [1,1,0,0,0,0|0,0,1]=3 3912 B12R1.267 CCCOCc1ccccc1F 34a_100000211962_100000210303 [1,1,0,0,0,0|0,0,1]=3 3913 B12R1.267 CCCOCc1ccccc1F 7a_100000211962_100000210303 [1,1,0,0,0,0|0,0,1]=3 3914 B12R1.267 CCCOCc1ccccc1I 34a_100000187465_100000210303 [1,1,0,0,0,0|0,0,1]=3 3915 B12R1.267 CCCOCc1ccccc1I 34a_100000210258_100011215278 [1,1,0,0,0,0|0,0,1]=3 3916 B12R1.267 CCCOCc1ccccc1I 7a_100000187465_100000210303 [1,1,0,0,0,0|0,0,1]=3 3917 B12R1.267 CCCOCc1ccccc1N 34a_100000212039_100000210303 [1,1,0,0,0,0|0,0,1]=3 3918 B12R1.267 CCCOCc1cccnc1Br 34a_100000210258_100010140945 [1,1,0,0,0,0|1,0,1]=4 3919 B12R1.267 CCCOCc1cccnc1Br 34a_100000719692_100000210303 [1,1,0,0,0,0|1,0,1]=4 3920 B12R1.267 CCCOCc1cccnc1Br 7a_100000719692_100000210303 [1,1,0,0,0,0|1,0,1]=4 3921 B12R1.267 CCCOCc1cccnc1C 34a_100000210258_100000732876 [1,1,0,0,0,0|1,0,1]=4 3922 B12R1.267 CCCOCc1cccnc1C 34a_100000729262_100000210303 [1,1,0,0,0,0|1,0,1]=4 3923 B12R1.267 CCCOCc1cccnc1C 7a_100000729262_100000210303 [1,1,0,0,0,0|1,0,1]=4 3924 B12R1.267 CCCOCc1cccnc1Cl 34a_100000210258_100000045678 [1,1,0,0,0,0|1,0,1]=4 3925 B12R1.267 CCCOCc1cccnc1Cl 34a_100000748726_100000210303 [1,1,0,0,0,0|1,0,1]=4 3926 B12R1.267 CCCOCc1cccnc1Cl 7a_100000748726_100000210303 [1,1,0,0,0,0|1,0,1]=4 3927 B12R1.267 CCCOCc1cccnc1F 34a_100000079888_100000210303 [1,1,0,0,0,0|1,0,1]=4 3928 B12R1.267 CCCOCc1cccnc1F 34a_100000210258_100000099810 [1,1,0,0,0,0|1,0,1]=4 3929 B12R1.267 CCCOCc1cccnc1F 7a_100000079888_100000210303 [1,1,0,0,0,0|1,0,1]=4 3930 B12R1.267 CCCOCc1ccncc1C 34a_100000210258_100020672809 [1,1,0,0,0,0|1,0,1]=4 3931 B12R1.267 CCCOCc1ccncc1C 34a_100011997032_100000210303 [1,1,0,0,0,0|1,0,1]=4 3932 B12R1.267 CCCOCc1ccncc1F 34a_100012172863_100000210303 [1,1,0,0,0,0|1,0,1]=4 3933 B12R1.267 CCCOCc1cnccc1C 34a_100000210258_100000690890 [1,1,0,0,0,0|1,0,1]=4 3934 B12R1.267 CCCOCc1cnccc1C 34a_100011996381_100000210303 [1,1,0,0,0,0|1,0,1]=4 3935 B12R1.267 CCCOCc1cnccc1Cl 34a_100000117392_100000210303 [1,1,0,0,0,0|1,0,1]=4 3936 B12R1.267 CCCOCc1ncccc1Br 34a_100000210258_100025702911 [1,1,0,0,0,0|1,0,1]=4 3937 B12R1.267 CCCOCc1ncccc1Br 34a_100011996772_100000210303 [1,1,0,0,0,0|1,0,1]=4 3938 B12R1.267 CCCOCc1ncccc1C 34a_100000210258_100000696600 [1,1,0,0,0,0|1,0,1]=4 3939 B12R1.267 CCCOCc1ncccc1C 34a_100000698912_100000210303 [1,1,0,0,0,0|1,0,1]=4 3940 B12R1.267 CCCOCc1ncccc1Cl 34a_100012002383_100000210303 [1,1,0,0,0,0|1,0,1]=4 3941 B12R1.267 CCCOCc1ncccc1F 34a_100000210258_100000104219 [1,1,0,0,0,0|1,0,1]=4 3942 B12R1.267 CCCOCc1ncccc1F 34a_100011934865_100000210303 [1,1,0,0,0,0|1,0,1]=4 3943 B12R1.267 CCCOCc1ncccc1N 34a_114873767017_100000210303 [1,1,0,0,0,0|1,0,1]=4 3944 B12R1.267 CCCOCc1ncccc1O 34a_100000210258_200020655725 [1,1,0,0,0,0|1,0,1]=4 3945 B12R1.267 CCCSCc1ccccc1Br 62a_100000184730_100000210303 [1,1,0,0,0,0|0,1,1]=4 3946 B12R1.267 CCCSCc1ccccc1Br 62a_100000210303_100000184730 [1,1,0,0,0,0|0,1,1]=4 3947 B12R1.267 CCCSCc1ccccc1C 62a_100000210303_100000211839 [1,1,0,0,0,0|0,1,1]=4 3948 B12R1.267 CCCSCc1ccccc1C 62a_100000211839_100000210303 [1,1,0,0,0,0|0,1,1]=4 3949 B12R1.267 CCCSCc1ccccc1Cl 62a_100000187162_100000210303 [1,1,0,0,0,0|0,1,1]=4 3950 B12R1.267 CCCSCc1ccccc1Cl 62a_100000210303_100000187162 [1,1,0,0,0,0|0,1,1]=4 3951 B12R1.267 CCCSCc1ccccc1F 62a_100000210303_100000211605 [1,1,0,0,0,0|0,1,1]=4 3952 B12R1.267 CCCSCc1ccccc1F 62a_100000211605_100000210303 [1,1,0,0,0,0|0,1,1]=4 3953 B12R1.267 CCCSCc1ccccc1I 62a_100000210303_100011216222 [1,1,0,0,0,0|0,1,1]=4 3954 B12R1.267 CCCSCc1ccccc1I 62a_100011216222_100000210303 [1,1,0,0,0,0|0,1,1]=4 3955 B12R1.267 CCCSCc1ccccc1O 271570a_203496583355_200000173363 [1,1,0,0,0,0|0,1,1]=4 3956 B12R1.267 CCNN=Cc1ccccc1Br 4a_100000756455_100000211189 [1,1,0,0,0,0|2,0,0]=4 3957 B12R1.267 CCNN=Cc1ccccc1C 4a_100000756455_100000211143 [1,1,0,0,0,0|2,0,0]=4 3958 B12R1.267 CCNN=Cc1ccccc1Cl 4a_100000756455_100000210073 [1,1,0,0,0,0|2,0,0]=4 3959 B12R1.267 CCNN=Cc1ccccc1F 4a_100000756455_100000210811 [1,1,0,0,0,0|2,0,0]=4 3960 B12R1.267 CCNN=Cc1ccccc1I 4a_100000756455_100000010305 [1,1,0,0,0,0|2,0,0]=4 3961 B12R1.267 CCNN=Cc1ccccc1O 4a_100000756455_100000185834 [1,1,0,0,0,0|2,0,0]=4 3962 B12R1.267 CCOC=Cc1ccccc1Br 271570a_100016256518_100000695589 [1,1,0,0,0,0|2,0,0]=4 3963 B12R1.267 CCOC=Cc1ccccc1C 271570a_100016256518_100000210755 [1,1,0,0,0,0|2,0,0]=4 3964 B12R1.267 CCOC=Cc1ccccc1Cl 271570a_100016256518_100000764095 [1,1,0,0,0,0|2,0,0]=4 3965 B12R1.267 CCOC=Cc1ccccc1F 271570a_100016256518_100011215700 [1,1,0,0,0,0|2,0,0]=4 3966 B12R1.267 CCOC=Cc1ccccc1N 271570a_100016256518_100000210017 [1,1,0,0,0,0|2,0,0]=4 3967 B12R1.267 CCOC=Cc1ccccc1O 271570a_100016256518_100000739446 [1,1,0,0,0,0|2,0,0]=4 3968 B12R1.267 CNCC=Cc1ccccc1Br 270004a_106832991635_200016268969 [1,1,0,0,0,0|2,0,0]=4 3969 B12R1.267 CNCC=Cc1ccccc1Cl 270004a_106832991635_200102525841 [1,1,0,0,0,0|2,0,0]=4 3970 B12R1.267 CNCC=Cc1ccccc1F 270004a_106832991635_200102525844 [1,1,0,0,0,0|2,0,0]=4 3971 B12R1.267 COCC=Cc1ccccc1Br 271570a_100016286323_100000695589 [1,1,0,0,0,0|2,0,0]=4 3972 B12R1.267 COCC=Cc1ccccc1C 271570a_100016286323_100000210755 [1,1,0,0,0,0|2,0,0]=4 3973 B12R1.267 COCC=Cc1ccccc1Cl 271570a_100016286323_100000764095 [1,1,0,0,0,0|2,0,0]=4 3974 B12R1.267 COCC=Cc1ccccc1F 271570a_100016286323_100011215700 [1,1,0,0,0,0|2,0,0]=4 3975 B12R1.267 COCC=Cc1ccccc1N 271570a_100016286323_100000210017 [1,1,0,0,0,0|2,0,0]=4 3976 B12R1.267 COCC=Cc1ccccc1O 271570a_100016286323_100000739446 [1,1,0,0,0,0|2,0,0]=4 3977 B12R1.267 CSCOCc1ccccc1Br 34a_100000756307_100011218213 [1,1,0,0,0,0|1,0,1]=4 3978 B12R1.267 CSCOCc1ccccc1C 34a_100000698903_100011218213 [1,1,0,0,0,0|1,0,1]=4 3979 B12R1.267 CSCOCc1ccccc1Cl 34a_100000210847_100011218213 [1,1,0,0,0,0|1,0,1]=4 3980 B12R1.267 CSCOCc1ccccc1F 34a_100000211962_100011218213 [1,1,0,0,0,0|1,0,1]=4 3981 B12R1.267 CSCOCc1ccccc1I 34a_100000187465_100011218213 [1,1,0,0,0,0|1,0,1]=4 3982 B12R1.267 CSCOCc1ccccc1N 34a_100000212039_100011218213 [1,1,0,0,0,0|1,0,1]=4 3983 B12R1.267 Cc1ccccc1COCCBr 34a_100000211926_100000211839 [1,1,0,0,0,0|1,0,1]=4 3984 B12R1.267 Cc1ccccc1COCCF 34a_100000698903_100011217306 [1,1,0,0,0,0|1,0,1]=4 3985 B12R1.267 Cc1ccccc1COCCF 7a_100000698903_100011217306 [1,1,0,0,0,0|1,0,1]=4 3986 B12R1.267 Cc1ccccc1COCCN 34a_100000210304_100000211839 [1,1,0,0,0,0|1,0,1]=4 3987 B12R1.267 Cc1ccccc1COCCO 34a_100000698903_100000211926 [1,1,0,0,0,0|1,0,1]=4 3988 B12R1.267 Cc1ccccc1COCCO 7a_100000698903_100000211926 [1,1,0,0,0,0|1,0,1]=4 3989 B12R1.267 Clc1ccccc1COCCBr 34a_100000211926_100000187162 [1,1,0,0,0,0|1,0,1]=4 3990 B12R1.267 FCCOCc1ccccc1Br 34a_100000756307_100011217306 [1,1,0,0,0,0|1,0,1]=4 3991 B12R1.267 FCCOCc1ccccc1Br 7a_100000756307_100011217306 [1,1,0,0,0,0|1,0,1]=4 3992 B12R1.267 FCCOCc1ccccc1Cl 34a_100000210847_100011217306 [1,1,0,0,0,0|1,0,1]=4 3993 B12R1.267 FCCOCc1ccccc1Cl 7a_100000210847_100011217306 [1,1,0,0,0,0|1,0,1]=4 3994 B12R1.267 FCCOCc1ccccc1F 34a_100000211962_100011217306 [1,1,0,0,0,0|1,0,1]=4 3995 B12R1.267 FCCOCc1ccccc1F 7a_100000211962_100011217306 [1,1,0,0,0,0|1,0,1]=4 3996 B12R1.267 FCCOCc1ccccc1I 34a_100000187465_100011217306 [1,1,0,0,0,0|1,0,1]=4 3997 B12R1.267 FCCOCc1ccccc1I 7a_100000187465_100011217306 [1,1,0,0,0,0|1,0,1]=4 3998 B12R1.267 Fc1ccccc1COCCBr 34a_100000211926_100000211605 [1,1,0,0,0,0|1,0,1]=4 3999 B12R1.267 NCCOCc1ccccc1Br 34a_100000210304_100000184730 [1,1,0,0,0,0|1,0,1]=4 4000 B12R1.267 NCCOCc1ccccc1Cl 34a_100000210304_100000187162 [1,1,0,0,0,0|1,0,1]=4 4001 B12R1.267 NCCOCc1ccccc1F 34a_100000210304_100000211605 [1,1,0,0,0,0|1,0,1]=4 4002 B12R1.267 NCCOCc1ccccc1I 34a_100000210304_100011215278 [1,1,0,0,0,0|1,0,1]=4 4003 B12R1.267 Nc1ccccc1COCCF 34a_100000212039_100011217306 [1,1,0,0,0,0|1,0,1]=4 4004 B12R1.267 Nc1ccccc1COCCO 34a_100000212039_100000211926 [1,1,0,0,0,0|1,0,1]=4 4005 B12R1.267 OCCOCc1ccccc1Br 34a_100000756307_100000211926 [1,1,0,0,0,0|1,0,1]=4 4006 B12R1.267 OCCOCc1ccccc1Br 7a_100000756307_100000211926 [1,1,0,0,0,0|1,0,1]=4 4007 B12R1.267 OCCOCc1ccccc1Cl 34a_100000210847_100000211926 [1,1,0,0,0,0|1,0,1]=4 4008 B12R1.267 OCCOCc1ccccc1Cl 7a_100000210847_100000211926 [1,1,0,0,0,0|1,0,1]=4 4009 B12R1.267 OCCOCc1ccccc1F 34a_100000211962_100000211926 [1,1,0,0,0,0|1,0,1]=4 4010 B12R1.267 OCCOCc1ccccc1F 7a_100000211962_100000211926 [1,1,0,0,0,0|1,0,1]=4 4011 B12R1.267 OCCOCc1ccccc1I 34a_100000187465_100000211926 [1,1,0,0,0,0|1,0,1]=4 4012 B12R1.267 OCCOCc1ccccc1I 7a_100000187465_100000211926 [1,1,0,0,0,0|1,0,1]=4 4013 B12R1.29 CCCNC(=O)c1ccc(o1)O 271570a_203496583355_200000161738 [0,1,0,0,1,0|2,0,0]=4 4014 B12R1.29 CCCNC(=O)c1ccc(s1)O 271570a_203496583355_200000152264 [0,1,0,0,1,0|2,0,0]=4 4015 B12R1.35 CCCOCC(=O)c1ccsc1 34a_100000210258_100011219462 [0,1,0,0,1,0|1,0,0]=3 4016 B12R1.35 CCCSCC(=O)c1ccc[nH]1 62a_100000210303_200011262396 [0,1,0,0,1,0|1,1,0]=4 4017 B12R1.35 CCCSCC(=O)c1ccc[nH]1 62a_200011262396_100000210303 [0,1,0,0,1,0|1,1,0]=4 4018 B12R1.35 CCCSCC(=O)c1ccco1 62a_100000210303_100000211439 [0,1,0,0,1,0|1,1,0]=4 4019 B12R1.35 CCCSCC(=O)c1ccco1 62a_100000211439_100000210303 [0,1,0,0,1,0|1,1,0]=4 4020 B12R1.35 CCCSCC(=O)c1cccs1 62a_100000210303_100000211436 [0,1,0,0,1,0|1,1,0]=4 4021 B12R1.35 CCCSCC(=O)c1cccs1 62a_100000211436_100000210303 [0,1,0,0,1,0|1,1,0]=4 4022 B12R1.35 CCCSCC(=O)c1ccsc1 62a_100000210303_100011219462 [0,1,0,0,1,0|1,1,0]=4 4023 B12R1.35 CCCSCC(=O)c1ccsc1 62a_100011219462_100000210303 [0,1,0,0,1,0|1,1,0]=4 4024 B12R1.35 CCNCCC(=O)c1cccs1 2230a_100015525214_100011290775 [0,1,0,0,1,0|2,0,0]=4 4025 B12R1.35 CCSCCC(=O)c1cccs1 62a_100000210202_100011290775 [0,1,0,0,1,0|2,0,0]=4 4026 B12R1.35 CCSCCC(=O)c1cccs1 62a_100011290775_100000210202 [0,1,0,0,1,0|2,0,0]=4 4027 B12R1.35 NCCOCC(=O)c1ccsc1 34a_100000210304_100011219462 [0,1,0,0,1,0|2,0,0]=4 4028 B12R1.35 O=C(COCCBr)c1ccsc1 34a_100000211926_100011219462 [0,1,0,0,1,0|2,0,0]=4 4029 B14R1.33 CCC#CC(=O)Cc1ccc(cc1)Br 1458a_100011827653_100000189115 [0,1,0,0,0,1|1,0,1]=4 4030 B14R1.33 CCC#CC(=O)Cc1ccc(cc1)C 1458a_100011827653_100000210814 [0,1,0,0,0,1|1,0,1]=4 4031 B14R1.33 CCC#CC(=O)Cc1ccc(cc1)Cl 1458a_100011827653_100000694040 [0,1,0,0,0,1|1,0,1]=4 4032 B14R1.33 CCC#CC(=O)Cc1ccc(cc1)F 1458a_100011827653_100000198546 [0,1,0,0,0,1|1,0,1]=4 4033 B14R1.33 CCC#CC(=O)Cc1ccc(cc1)I 1458a_100011827653_100000189116 [0,1,0,0,0,1|1,0,1]=4 4034 B14R1.33 CCC#CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100011827653 [0,1,0,0,0,1|1,0,1]=4 4035 B14R1.33 CCC#CC(=O)Nc1ccc(cc1)C 22a_100000124888_100011827653 [0,1,0,0,0,1|1,0,1]=4 4036 B14R1.33 CCC#CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100011827653 [0,1,0,0,0,1|1,0,1]=4 4037 B14R1.33 CCC#CC(=O)Nc1ccc(cc1)F 22a_100000185862_100011827653 [0,1,0,0,0,1|1,0,1]=4 4038 B14R1.33 CCC#CC(=O)Nc1ccc(cc1)I 22a_100000185761_100011827653 [0,1,0,0,0,1|1,0,1]=4 4039 B14R1.33 CCC#CC(=O)Nc1ccc(cc1)O 22a_100000185829_100011827653 [0,1,0,0,0,1|1,0,1]=4 4040 B14R1.33 CCC=CC(=O)Cc1ccc(cc1)Br 1458a_100000212282_100000189115 [0,1,0,0,0,1|1,0,1]=4 4041 B14R1.33 CCC=CC(=O)Cc1ccc(cc1)C 1458a_100000212282_100000210814 [0,1,0,0,0,1|1,0,1]=4 4042 B14R1.33 CCC=CC(=O)Cc1ccc(cc1)Cl 1458a_100000212282_100000694040 [0,1,0,0,0,1|1,0,1]=4 4043 B14R1.33 CCC=CC(=O)Cc1ccc(cc1)F 1458a_100000212282_100000198546 [0,1,0,0,0,1|1,0,1]=4 4044 B14R1.33 CCC=CC(=O)Cc1ccc(cc1)I 1458a_100000212282_100000189116 [0,1,0,0,0,1|1,0,1]=4 4045 B14R1.33 CCC=CC(=O)Nc1ccc(cc1)Br 11a_100000210018_100000212282 [0,1,0,0,0,1|1,0,1]=4 4046 B14R1.33 CCC=CC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000212282 [0,1,0,0,0,1|1,0,1]=4 4047 B14R1.33 CCC=CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000212282 [0,1,0,0,0,1|1,0,1]=4 4048 B14R1.33 CCC=CC(=O)Nc1ccc(cc1)C 11a_100000124888_100000212282 [0,1,0,0,0,1|1,0,1]=4 4049 B14R1.33 CCC=CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000212282 [0,1,0,0,0,1|1,0,1]=4 4050 B14R1.33 CCC=CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000212282 [0,1,0,0,0,1|1,0,1]=4 4051 B14R1.33 CCC=CC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000212282 [0,1,0,0,0,1|1,0,1]=4 4052 B14R1.33 CCC=CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000212282 [0,1,0,0,0,1|1,0,1]=4 4053 B14R1.33 CCC=CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000212282 [0,1,0,0,0,1|1,0,1]=4 4054 B14R1.33 CCC=CC(=O)Nc1ccc(cc1)F 11a_100000185862_100000212282 [0,1,0,0,0,1|1,0,1]=4 4055 B14R1.33 CCC=CC(=O)Nc1ccc(cc1)F 1626a_100000185862_100000212282 [0,1,0,0,0,1|1,0,1]=4 4056 B14R1.33 CCC=CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000212282 [0,1,0,0,0,1|1,0,1]=4 4057 B14R1.33 CCC=CC(=O)Nc1ccc(cc1)I 11a_100000185761_100000212282 [0,1,0,0,0,1|1,0,1]=4 4058 B14R1.33 CCC=CC(=O)Nc1ccc(cc1)I 1626a_100000185761_100000212282 [0,1,0,0,0,1|1,0,1]=4 4059 B14R1.33 CCC=CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000212282 [0,1,0,0,0,1|1,0,1]=4 4060 B14R1.33 CCC=CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000212282 [0,1,0,0,0,1|1,0,1]=4 4061 B14R1.33 CCCCC(=Cc1ccc(cc1)Br)Br 271570a_206741709834_100000752885 [0,1,0,0,0,1|2,0,0]=4 4062 B14R1.33 CCCCC(=Cc1ccc(cc1)C)Br 271570a_206741709834_100000186775 [0,1,0,0,0,1|2,0,0]=4 4063 B14R1.33 CCCCC(=Cc1ccc(cc1)Cl)Br 271570a_206741709834_100000755918 [0,1,0,0,0,1|2,0,0]=4 4064 B14R1.33 CCCCC(=Cc1ccc(cc1)F)Br 271570a_206741709834_100000211213 [0,1,0,0,0,1|2,0,0]=4 4065 B14R1.33 CCCCC(=Cc1ccc(cc1)N)Br 271570a_206741709834_100000185761 [0,1,0,0,0,1|2,0,0]=4 4066 B14R1.33 CCCCC(=Cc1ccc(cc1)O)Br 271570a_206741709834_100000185759 [0,1,0,0,0,1|2,0,0]=4 4067 B14R1.33 CCCCC(=O)Cc1ccc(cc1)Br 1458a_100000198978_100000210211 [0,1,0,0,0,1|1,0,0]=3 4068 B14R1.33 CCCCC(=O)Cc1ccc(cc1)Br 1458a_100000210183_100000189115 [0,1,0,0,0,1|1,0,0]=3 4069 B14R1.33 CCCCC(=O)Cc1ccc(cc1)C 1458a_100000210183_100000210814 [0,1,0,0,0,1|1,0,0]=3 4070 B14R1.33 CCCCC(=O)Cc1ccc(cc1)C 1458a_100000212244_100000210211 [0,1,0,0,0,1|1,0,0]=3 4071 B14R1.33 CCCCC(=O)Cc1ccc(cc1)Cl 1458a_100000210183_100000694040 [0,1,0,0,0,1|1,0,0]=3 4072 B14R1.33 CCCCC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100000210211 [0,1,0,0,0,1|1,0,0]=3 4073 B14R1.33 CCCCC(=O)Cc1ccc(cc1)F 1458a_100000210183_100000198546 [0,1,0,0,0,1|1,0,0]=3 4074 B14R1.33 CCCCC(=O)Cc1ccc(cc1)F 1458a_100000210951_100000210211 [0,1,0,0,0,1|1,0,0]=3 4075 B14R1.33 CCCCC(=O)Cc1ccc(cc1)I 1458a_100000210183_100000189116 [0,1,0,0,0,1|1,0,0]=3 4076 B14R1.33 CCCCC(=O)Cc1ccc(cc1)I 1458a_100000688869_100000210211 [0,1,0,0,0,1|1,0,0]=3 4077 B14R1.33 CCCCC(=O)Cc1ccc(cc1)O 1458a_100000198540_100000210211 [0,1,0,0,0,1|1,0,0]=3 4078 B14R1.33 CCCCC(=O)Cc1ccc(cn1)Br 1458a_100000210183_100000702658 [0,1,0,0,0,1|2,0,0]=4 4079 B14R1.33 CCCCC(=O)Cc1ccc(cn1)Br 1458a_100020629044_100000210211 [0,1,0,0,0,1|2,0,0]=4 4080 B14R1.33 CCCCC(=O)Cc1ccc(cn1)C 1458a_100000210183_100000691093 [0,1,0,0,0,1|2,0,0]=4 4081 B14R1.33 CCCCC(=O)Cc1ccc(cn1)C 1458a_100025705728_100000210211 [0,1,0,0,0,1|2,0,0]=4 4082 B14R1.33 CCCCC(=O)Cc1ccc(cn1)Cl 1458a_100000210183_100012066911 [0,1,0,0,0,1|2,0,0]=4 4083 B14R1.33 CCCCC(=O)Cc1ccc(cn1)Cl 1458a_100000728320_100000210211 [0,1,0,0,0,1|2,0,0]=4 4084 B14R1.33 CCCCC(=O)Cc1ccc(cn1)F 1458a_100000210183_100000703193 [0,1,0,0,0,1|2,0,0]=4 4085 B14R1.33 CCCCC(=O)Cc1ccc(nc1)Br 1458a_100000210183_100009831999 [0,1,0,0,0,1|2,0,0]=4 4086 B14R1.33 CCCCC(=O)Cc1ccc(nc1)Br 1458a_100010067268_100000210211 [0,1,0,0,0,1|2,0,0]=4 4087 B14R1.33 CCCCC(=O)Cc1ccc(nc1)C 1458a_100000210183_100016987292 [0,1,0,0,0,1|2,0,0]=4 4088 B14R1.33 CCCCC(=O)Cc1ccc(nc1)C 1458a_100000740413_100000210211 [0,1,0,0,0,1|2,0,0]=4 4089 B14R1.33 CCCCC(=O)Cc1ccc(nc1)Cl 1458a_100000061944_100000210211 [0,1,0,0,0,1|2,0,0]=4 4090 B14R1.33 CCCCC(=O)Cc1ccc(nc1)Cl 1458a_100000210183_100000735431 [0,1,0,0,0,1|2,0,0]=4 4091 B14R1.33 CCCCC(=O)Cc1ccc(nc1)F 1458a_100000210183_100009820150 [0,1,0,0,0,1|2,0,0]=4 4092 B14R1.33 CCCCC(=O)Cn1ccc(=O)cc1 1458a_200000238563_100000210211 [0,1,0,0,0,1|2,0,0]=4 4093 B14R1.33 CCCCC(=O)Nc1ccc(cc1)Br 11a_100000210018_100000210183 [0,1,0,0,0,1|1,0,0]=3 4094 B14R1.33 CCCCC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000210183 [0,1,0,0,0,1|1,0,0]=3 4095 B14R1.33 CCCCC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000210183 [0,1,0,0,0,1|1,0,0]=3 4096 B14R1.33 CCCCC(=O)Nc1ccc(cc1)Br 527a_100000210018_100000210183 [0,1,0,0,0,1|1,0,0]=3 4097 B14R1.33 CCCCC(=O)Nc1ccc(cc1)C 11a_100000124888_100000210183 [0,1,0,0,0,1|1,0,0]=3 4098 B14R1.33 CCCCC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000210183 [0,1,0,0,0,1|1,0,0]=3 4099 B14R1.33 CCCCC(=O)Nc1ccc(cc1)C 22a_100000124888_100000210183 [0,1,0,0,0,1|1,0,0]=3 4100 B14R1.33 CCCCC(=O)Nc1ccc(cc1)C 527a_100000124888_100000210183 [0,1,0,0,0,1|1,0,0]=3 4101 B14R1.33 CCCCC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000210183 [0,1,0,0,0,1|1,0,0]=3 4102 B14R1.33 CCCCC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000210183 [0,1,0,0,0,1|1,0,0]=3 4103 B14R1.33 CCCCC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000210183 [0,1,0,0,0,1|1,0,0]=3 4104 B14R1.33 CCCCC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100000210183 [0,1,0,0,0,1|1,0,0]=3 4105 B14R1.33 CCCCC(=O)Nc1ccc(cc1)F 11a_100000185862_100000210183 [0,1,0,0,0,1|1,0,0]=3 4106 B14R1.33 CCCCC(=O)Nc1ccc(cc1)F 1626a_100000185862_100000210183 [0,1,0,0,0,1|1,0,0]=3 4107 B14R1.33 CCCCC(=O)Nc1ccc(cc1)F 22a_100000185862_100000210183 [0,1,0,0,0,1|1,0,0]=3 4108 B14R1.33 CCCCC(=O)Nc1ccc(cc1)F 527a_100000185862_100000210183 [0,1,0,0,0,1|1,0,0]=3 4109 B14R1.33 CCCCC(=O)Nc1ccc(cc1)I 11a_100000185761_100000210183 [0,1,0,0,0,1|1,0,0]=3 4110 B14R1.33 CCCCC(=O)Nc1ccc(cc1)I 1626a_100000185761_100000210183 [0,1,0,0,0,1|1,0,0]=3 4111 B14R1.33 CCCCC(=O)Nc1ccc(cc1)I 22a_100000185761_100000210183 [0,1,0,0,0,1|1,0,0]=3 4112 B14R1.33 CCCCC(=O)Nc1ccc(cc1)I 527a_100000185761_100000210183 [0,1,0,0,0,1|1,0,0]=3 4113 B14R1.33 CCCCC(=O)Nc1ccc(cc1)O 22a_100000185829_100000210183 [0,1,0,0,0,1|1,0,0]=3 4114 B14R1.33 CCCNC(=O)Cc1ccc(cc1)Br 11a_100020643023_100000198978 [0,1,0,0,0,1|1,0,0]=3 4115 B14R1.33 CCCNC(=O)Cc1ccc(cc1)Br 240690a_100020643023_100000198978 [0,1,0,0,0,1|1,0,0]=3 4116 B14R1.33 CCCNC(=O)Cc1ccc(cc1)Br 527a_100020643023_100000198978 [0,1,0,0,0,1|1,0,0]=3 4117 B14R1.33 CCCNC(=O)Cc1ccc(cc1)C 11a_100020643023_100000212244 [0,1,0,0,0,1|1,0,0]=3 4118 B14R1.33 CCCNC(=O)Cc1ccc(cc1)C 240690a_100020643023_100000212244 [0,1,0,0,0,1|1,0,0]=3 4119 B14R1.33 CCCNC(=O)Cc1ccc(cc1)C 527a_100020643023_100000212244 [0,1,0,0,0,1|1,0,0]=3 4120 B14R1.33 CCCNC(=O)Cc1ccc(cc1)Cl 11a_100020643023_100000211027 [0,1,0,0,0,1|1,0,0]=3 4121 B14R1.33 CCCNC(=O)Cc1ccc(cc1)Cl 240690a_100020643023_100000211027 [0,1,0,0,0,1|1,0,0]=3 4122 B14R1.33 CCCNC(=O)Cc1ccc(cc1)Cl 527a_100020643023_100000211027 [0,1,0,0,0,1|1,0,0]=3 4123 B14R1.33 CCCNC(=O)Cc1ccc(cc1)F 11a_100020643023_100000210951 [0,1,0,0,0,1|1,0,0]=3 4124 B14R1.33 CCCNC(=O)Cc1ccc(cc1)F 1626a_100020643023_100000210951 [0,1,0,0,0,1|1,0,0]=3 4125 B14R1.33 CCCNC(=O)Cc1ccc(cc1)F 240690a_100020643023_100000210951 [0,1,0,0,0,1|1,0,0]=3 4126 B14R1.33 CCCNC(=O)Cc1ccc(cc1)F 527a_100020643023_100000210951 [0,1,0,0,0,1|1,0,0]=3 4127 B14R1.33 CCCNC(=O)Cc1ccc(cc1)I 11a_100020643023_100000688869 [0,1,0,0,0,1|1,0,0]=3 4128 B14R1.33 CCCNC(=O)Cc1ccc(cc1)I 1626a_100020643023_100000688869 [0,1,0,0,0,1|1,0,0]=3 4129 B14R1.33 CCCNC(=O)Cc1ccc(cc1)I 240690a_100020643023_100000688869 [0,1,0,0,0,1|1,0,0]=3 4130 B14R1.33 CCCNC(=O)Cc1ccc(cc1)I 527a_100020643023_100000688869 [0,1,0,0,0,1|1,0,0]=3 4131 B14R1.33 CCCNC(=O)Cc1ccc(cc1)O 1626a_100020643023_100000198540 [0,1,0,0,0,1|1,0,0]=3 4132 B14R1.33 CCCNC(=O)Cc1ccc(cc1)O 240690a_100020643023_100000198540 [0,1,0,0,0,1|1,0,0]=3 4133 B14R1.33 CCCNC(=O)Cc1ccc(cc1)O 271570a_203496583355_200000152284 [0,1,0,0,0,1|1,0,0]=3 4134 B14R1.33 CCCNC(=O)Cc1ccc(cc1)O 527a_100020643023_100000198540 [0,1,0,0,0,1|1,0,0]=3 4135 B14R1.33 CCCNC(=O)Cc1ccc(cn1)Br 11a_100020643023_100020629044 [0,1,0,0,0,1|2,0,0]=4 4136 B14R1.33 CCCNC(=O)Cc1ccc(cn1)Br 240690a_100020643023_100020629044 [0,1,0,0,0,1|2,0,0]=4 4137 B14R1.33 CCCNC(=O)Cc1ccc(cn1)C 11a_100020643023_100025705728 [0,1,0,0,0,1|2,0,0]=4 4138 B14R1.33 CCCNC(=O)Cc1ccc(cn1)C 1626a_100020643023_100025705728 [0,1,0,0,0,1|2,0,0]=4 4139 B14R1.33 CCCNC(=O)Cc1ccc(cn1)C 240690a_100020643023_100025705728 [0,1,0,0,0,1|2,0,0]=4 4140 B14R1.33 CCCNC(=O)Cc1ccc(cn1)Cl 11a_100020643023_100000728320 [0,1,0,0,0,1|2,0,0]=4 4141 B14R1.33 CCCNC(=O)Cc1ccc(cn1)Cl 1626a_100020643023_100000728320 [0,1,0,0,0,1|2,0,0]=4 4142 B14R1.33 CCCNC(=O)Cc1ccc(cn1)Cl 240690a_100020643023_100000728320 [0,1,0,0,0,1|2,0,0]=4 4143 B14R1.33 CCCNC(=O)Cc1ccc(cn1)Cl 527a_100020643023_100000728320 [0,1,0,0,0,1|2,0,0]=4 4144 B14R1.33 CCCNC(=O)Cc1ccc(nc1)Br 11a_100020643023_100010067268 [0,1,0,0,0,1|2,0,0]=4 4145 B14R1.33 CCCNC(=O)Cc1ccc(nc1)Br 240690a_100020643023_100010067268 [0,1,0,0,0,1|2,0,0]=4 4146 B14R1.33 CCCNC(=O)Cc1ccc(nc1)Br 527a_100020643023_100010067268 [0,1,0,0,0,1|2,0,0]=4 4147 B14R1.33 CCCNC(=O)Cc1ccc(nc1)C 11a_100020643023_100000740413 [0,1,0,0,0,1|2,0,0]=4 4148 B14R1.33 CCCNC(=O)Cc1ccc(nc1)C 1626a_100020643023_100000740413 [0,1,0,0,0,1|2,0,0]=4 4149 B14R1.33 CCCNC(=O)Cc1ccc(nc1)C 240690a_100020643023_100000740413 [0,1,0,0,0,1|2,0,0]=4 4150 B14R1.33 CCCNC(=O)Cc1ccc(nc1)C 527a_100020643023_100000740413 [0,1,0,0,0,1|2,0,0]=4 4151 B14R1.33 CCCNC(=O)Cc1ccc(nc1)Cl 11a_100020643023_100000061944 [0,1,0,0,0,1|2,0,0]=4 4152 B14R1.33 CCCNC(=O)Cc1ccc(nc1)Cl 1626a_100020643023_100000061944 [0,1,0,0,0,1|2,0,0]=4 4153 B14R1.33 CCCNC(=O)Cc1ccc(nc1)Cl 240690a_100020643023_100000061944 [0,1,0,0,0,1|2,0,0]=4 4154 B14R1.33 CCCNC(=O)Cc1ccc(nc1)Cl 527a_100020643023_100000061944 [0,1,0,0,0,1|2,0,0]=4 4155 B14R1.33 CCCNC(=O)Cn1ccc(=O)cc1 11a_100020643023_200000238563 [0,1,0,0,0,1|2,0,0]=4 4156 B14R1.33 CCCNC(=O)Cn1ccc(=O)cc1 1626a_100020643023_200000238563 [0,1,0,0,0,1|2,0,0]=4 4157 B14R1.33 CCCNC(=O)Cn1ccc(=O)cc1 240690a_100020643023_200000238563 [0,1,0,0,0,1|2,0,0]=4 4158 B14R1.33 CCCNC(=O)Cn1ccc(=O)cc1 527a_100020643023_200000238563 [0,1,0,0,0,1|2,0,0]=4 4159 B14R1.33 CCCNC(=O)Nc1ccc(cc1)Br 2430a_100000210018_100020643023 [0,1,0,0,0,1|1,0,0]=3 4160 B14R1.33 CCCNC(=O)Nc1ccc(cc1)C 2430a_100000124888_100020643023 [0,1,0,0,0,1|1,0,0]=3 4161 B14R1.33 CCCNC(=O)Nc1ccc(cc1)Cl 2430a_100000210052_100020643023 [0,1,0,0,0,1|1,0,0]=3 4162 B14R1.33 CCCNC(=O)Nc1ccc(cc1)F 2430a_100000185862_100020643023 [0,1,0,0,0,1|1,0,0]=3 4163 B14R1.33 CCCNC(=O)Nc1ccc(cc1)I 2430a_100000185761_100020643023 [0,1,0,0,0,1|1,0,0]=3 4164 B14R1.33 CCCNC(=O)Nc1ccc(cc1)O 2430a_100000185829_100020643023 [0,1,0,0,0,1|1,0,0]=3 4165 B14R1.33 CCCNC(=O)Nc1ccc(cc1)O 271570a_203496583355_200000163292 [0,1,0,0,0,1|1,0,0]=3 4166 B14R1.33 CCCOC(C)Cc1ccc(cc1)F 34a_100011351027_100000210303 [0,1,0,0,0,1|1,0,1]=4 4167 B14R1.33 CCCOC(C)Cc1ccc(cc1)F 7a_100011351027_100000210303 [0,1,0,0,0,1|1,0,1]=4 4168 B14R1.33 CCNCC(=O)Nc1ccc(cc1)Br 2230a_100000741985_100000210202 [0,1,0,0,0,1|2,0,0]=4 4169 B14R1.33 CCNCC(=O)Nc1ccc(cc1)Br 2230a_100015525214_100000183692 [0,1,0,0,0,1|2,0,0]=4 4170 B14R1.33 CCNCC(=O)Nc1ccc(cc1)C 2230a_100015525214_100000182914 [0,1,0,0,0,1|2,0,0]=4 4171 B14R1.33 CCNCC(=O)Nc1ccc(cc1)Cl 2230a_100015525214_100000182960 [0,1,0,0,0,1|2,0,0]=4 4172 B14R1.33 CCNCC(=O)Nc1ccc(cc1)F 2230a_100015525214_100000181725 [0,1,0,0,0,1|2,0,0]=4 4173 B14R1.33 CCNCC(=O)Nc1ccc(cc1)F 2230a_100025683178_100000210202 [0,1,0,0,0,1|2,0,0]=4 4174 B14R1.33 CCNCC(=O)Nc1ccc(cc1)F 34a_100025683178_100000210202 [0,1,0,0,0,1|2,0,0]=4 4175 B14R1.33 CCNCC(=O)Nc1ccc(cc1)I 2230a_100015525214_100000183000 [0,1,0,0,0,1|2,0,0]=4 4176 B14R1.33 CCNCC(=O)Nc1ccc(cc1)O 2230a_100015525214_100000233757 [0,1,0,0,0,1|2,0,0]=4 4177 B14R1.33 CCNCC(=O)Oc1ccc(cc1)Br 2230a_100015525214_200010760497 [0,1,0,0,0,1|2,0,0]=4 4178 B14R1.33 CCNNC(=O)Cc1ccc(cc1)Br 22a_100000756455_100000198978 [0,1,0,0,0,1|2,0,0]=4 4179 B14R1.33 CCNNC(=O)Cc1ccc(cc1)C 22a_100000756455_100000212244 [0,1,0,0,0,1|2,0,0]=4 4180 B14R1.33 CCNNC(=O)Cc1ccc(cc1)Cl 22a_100000756455_100000211027 [0,1,0,0,0,1|2,0,0]=4 4181 B14R1.33 CCNNC(=O)Cc1ccc(cc1)F 22a_100000756455_100000210951 [0,1,0,0,0,1|2,0,0]=4 4182 B14R1.33 CCNNC(=O)Cc1ccc(cc1)I 22a_100000756455_100000688869 [0,1,0,0,0,1|2,0,0]=4 4183 B14R1.33 CCNNC(=O)Cc1ccc(cc1)O 22a_100000756455_100000198540 [0,1,0,0,0,1|2,0,0]=4 4184 B14R1.33 CCOCC(=O)Cc1ccc(cc1)Br 1458a_100000211967_100000189115 [0,1,0,0,0,1|2,0,0]=4 4185 B14R1.33 CCOCC(=O)Cc1ccc(cc1)C 1458a_100000211967_100000210814 [0,1,0,0,0,1|2,0,0]=4 4186 B14R1.33 CCOCC(=O)Cc1ccc(cc1)Cl 1458a_100000211967_100000694040 [0,1,0,0,0,1|2,0,0]=4 4187 B14R1.33 CCOCC(=O)Cc1ccc(cc1)F 1458a_100000211967_100000198546 [0,1,0,0,0,1|2,0,0]=4 4188 B14R1.33 CCOCC(=O)Cc1ccc(cc1)I 1458a_100000211967_100000189116 [0,1,0,0,0,1|2,0,0]=4 4189 B14R1.33 CCOCC(=O)Nc1ccc(cc1)Br 11a_100000210018_100000211967 [0,1,0,0,0,1|2,0,0]=4 4190 B14R1.33 CCOCC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000211967 [0,1,0,0,0,1|2,0,0]=4 4191 B14R1.33 CCOCC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000211967 [0,1,0,0,0,1|2,0,0]=4 4192 B14R1.33 CCOCC(=O)Nc1ccc(cc1)Br 34a_100121572206_100000183692 [0,1,0,0,0,1|2,0,0]=4 4193 B14R1.33 CCOCC(=O)Nc1ccc(cc1)Br 527a_100000210018_100000211967 [0,1,0,0,0,1|2,0,0]=4 4194 B14R1.33 CCOCC(=O)Nc1ccc(cc1)C 11a_100000124888_100000211967 [0,1,0,0,0,1|2,0,0]=4 4195 B14R1.33 CCOCC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000211967 [0,1,0,0,0,1|2,0,0]=4 4196 B14R1.33 CCOCC(=O)Nc1ccc(cc1)C 22a_100000124888_100000211967 [0,1,0,0,0,1|2,0,0]=4 4197 B14R1.33 CCOCC(=O)Nc1ccc(cc1)C 34a_100121572206_100000182914 [0,1,0,0,0,1|2,0,0]=4 4198 B14R1.33 CCOCC(=O)Nc1ccc(cc1)C 527a_100000124888_100000211967 [0,1,0,0,0,1|2,0,0]=4 4199 B14R1.33 CCOCC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000211967 [0,1,0,0,0,1|2,0,0]=4 4200 B14R1.33 CCOCC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000211967 [0,1,0,0,0,1|2,0,0]=4 4201 B14R1.33 CCOCC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000211967 [0,1,0,0,0,1|2,0,0]=4 4202 B14R1.33 CCOCC(=O)Nc1ccc(cc1)Cl 34a_100121572206_100000182960 [0,1,0,0,0,1|2,0,0]=4 4203 B14R1.33 CCOCC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100000211967 [0,1,0,0,0,1|2,0,0]=4 4204 B14R1.33 CCOCC(=O)Nc1ccc(cc1)F 11a_100000185862_100000211967 [0,1,0,0,0,1|2,0,0]=4 4205 B14R1.33 CCOCC(=O)Nc1ccc(cc1)F 1626a_100000185862_100000211967 [0,1,0,0,0,1|2,0,0]=4 4206 B14R1.33 CCOCC(=O)Nc1ccc(cc1)F 22a_100000185862_100000211967 [0,1,0,0,0,1|2,0,0]=4 4207 B14R1.33 CCOCC(=O)Nc1ccc(cc1)F 34a_100121572206_100000181725 [0,1,0,0,0,1|2,0,0]=4 4208 B14R1.33 CCOCC(=O)Nc1ccc(cc1)F 527a_100000185862_100000211967 [0,1,0,0,0,1|2,0,0]=4 4209 B14R1.33 CCOCC(=O)Nc1ccc(cc1)I 11a_100000185761_100000211967 [0,1,0,0,0,1|2,0,0]=4 4210 B14R1.33 CCOCC(=O)Nc1ccc(cc1)I 1626a_100000185761_100000211967 [0,1,0,0,0,1|2,0,0]=4 4211 B14R1.33 CCOCC(=O)Nc1ccc(cc1)I 22a_100000185761_100000211967 [0,1,0,0,0,1|2,0,0]=4 4212 B14R1.33 CCOCC(=O)Nc1ccc(cc1)I 34a_100121572206_100000183000 [0,1,0,0,0,1|2,0,0]=4 4213 B14R1.33 CCOCC(=O)Nc1ccc(cc1)I 527a_100000185761_100000211967 [0,1,0,0,0,1|2,0,0]=4 4214 B14R1.33 CCOCC(=O)Nc1ccc(cc1)N 34a_100011269904_100000210202 [0,1,0,0,0,1|2,0,0]=4 4215 B14R1.33 CCOCC(=O)Nc1ccc(cc1)O 22a_100000185829_100000211967 [0,1,0,0,0,1|2,0,0]=4 4216 B14R1.33 CCOCC(=O)Nc1ccc(cc1)O 34a_100121572206_100000233757 [0,1,0,0,0,1|2,0,0]=4 4217 B14R1.33 CCOCC(=O)Oc1ccc(cc1)Br 34a_100121572206_200010760497 [0,1,0,0,0,1|2,0,0]=4 4218 B14R1.33 CCSCC(=O)Cc1ccc(cc1)Br 1458a_100000230394_100000189115 [0,1,0,0,0,1|2,0,0]=4 4219 B14R1.33 CCSCC(=O)Cc1ccc(cc1)C 1458a_100000230394_100000210814 [0,1,0,0,0,1|2,0,0]=4 4220 B14R1.33 CCSCC(=O)Cc1ccc(cc1)Cl 1458a_100000230394_100000694040 [0,1,0,0,0,1|2,0,0]=4 4221 B14R1.33 CCSCC(=O)Cc1ccc(cc1)F 1458a_100000230394_100000198546 [0,1,0,0,0,1|2,0,0]=4 4222 B14R1.33 CCSCC(=O)Cc1ccc(cc1)I 1458a_100000230394_100000189116 [0,1,0,0,0,1|2,0,0]=4 4223 B14R1.33 CCSCC(=O)Nc1ccc(cc1)Br 11a_100000210018_100000230394 [0,1,0,0,0,1|2,0,0]=4 4224 B14R1.33 CCSCC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000230394 [0,1,0,0,0,1|2,0,0]=4 4225 B14R1.33 CCSCC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000230394 [0,1,0,0,0,1|2,0,0]=4 4226 B14R1.33 CCSCC(=O)Nc1ccc(cc1)Br 527a_100000210018_100000230394 [0,1,0,0,0,1|2,0,0]=4 4227 B14R1.33 CCSCC(=O)Nc1ccc(cc1)Br 62a_100000183692_100000210202 [0,1,0,0,0,1|2,0,0]=4 4228 B14R1.33 CCSCC(=O)Nc1ccc(cc1)Br 62a_100000210202_100000183692 [0,1,0,0,0,1|2,0,0]=4 4229 B14R1.33 CCSCC(=O)Nc1ccc(cc1)C 11a_100000124888_100000230394 [0,1,0,0,0,1|2,0,0]=4 4230 B14R1.33 CCSCC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000230394 [0,1,0,0,0,1|2,0,0]=4 4231 B14R1.33 CCSCC(=O)Nc1ccc(cc1)C 22a_100000124888_100000230394 [0,1,0,0,0,1|2,0,0]=4 4232 B14R1.33 CCSCC(=O)Nc1ccc(cc1)C 527a_100000124888_100000230394 [0,1,0,0,0,1|2,0,0]=4 4233 B14R1.33 CCSCC(=O)Nc1ccc(cc1)C 62a_100000210202_100000182914 [0,1,0,0,0,1|2,0,0]=4 4234 B14R1.33 CCSCC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000230394 [0,1,0,0,0,1|2,0,0]=4 4235 B14R1.33 CCSCC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000230394 [0,1,0,0,0,1|2,0,0]=4 4236 B14R1.33 CCSCC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000230394 [0,1,0,0,0,1|2,0,0]=4 4237 B14R1.33 CCSCC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100000230394 [0,1,0,0,0,1|2,0,0]=4 4238 B14R1.33 CCSCC(=O)Nc1ccc(cc1)Cl 62a_100000210202_100000182960 [0,1,0,0,0,1|2,0,0]=4 4239 B14R1.33 CCSCC(=O)Nc1ccc(cc1)Cl 62a_200011202288_100000210202 [0,1,0,0,0,1|2,0,0]=4 4240 B14R1.33 CCSCC(=O)Nc1ccc(cc1)F 11a_100000185862_100000230394 [0,1,0,0,0,1|2,0,0]=4 4241 B14R1.33 CCSCC(=O)Nc1ccc(cc1)F 1626a_100000185862_100000230394 [0,1,0,0,0,1|2,0,0]=4 4242 B14R1.33 CCSCC(=O)Nc1ccc(cc1)F 22a_100000185862_100000230394 [0,1,0,0,0,1|2,0,0]=4 4243 B14R1.33 CCSCC(=O)Nc1ccc(cc1)F 527a_100000185862_100000230394 [0,1,0,0,0,1|2,0,0]=4 4244 B14R1.33 CCSCC(=O)Nc1ccc(cc1)F 62a_100000210202_100000181725 [0,1,0,0,0,1|2,0,0]=4 4245 B14R1.33 CCSCC(=O)Nc1ccc(cc1)F 62a_200000243717_100000210202 [0,1,0,0,0,1|2,0,0]=4 4246 B14R1.33 CCSCC(=O)Nc1ccc(cc1)I 11a_100000185761_100000230394 [0,1,0,0,0,1|2,0,0]=4 4247 B14R1.33 CCSCC(=O)Nc1ccc(cc1)I 1626a_100000185761_100000230394 [0,1,0,0,0,1|2,0,0]=4 4248 B14R1.33 CCSCC(=O)Nc1ccc(cc1)I 22a_100000185761_100000230394 [0,1,0,0,0,1|2,0,0]=4 4249 B14R1.33 CCSCC(=O)Nc1ccc(cc1)I 527a_100000185761_100000230394 [0,1,0,0,0,1|2,0,0]=4 4250 B14R1.33 CCSCC(=O)Nc1ccc(cc1)I 62a_100000183000_100000210202 [0,1,0,0,0,1|2,0,0]=4 4251 B14R1.33 CCSCC(=O)Nc1ccc(cc1)I 62a_100000210202_100000183000 [0,1,0,0,0,1|2,0,0]=4 4252 B14R1.33 CCSCC(=O)Nc1ccc(cc1)O 22a_100000185829_100000230394 [0,1,0,0,0,1|2,0,0]=4 4253 B14R1.33 CCSCC(=O)Nc1ccc(cc1)O 62a_100000210202_100000233757 [0,1,0,0,0,1|2,0,0]=4 4254 B14R1.33 CCSCC(=O)Oc1ccc(cc1)Br 62a_100000210202_200010760497 [0,1,0,0,0,1|2,0,0]=4 4255 B14R1.33 CCSCC(=O)Oc1ccc(cc1)Br 62a_200010760497_100000210202 [0,1,0,0,0,1|2,0,0]=4 4256 B14R1.33 CNCCC(=O)Nc1ccc(cc1)Br 2230a_100000743120_200000210301 [0,1,0,0,0,1|2,0,0]=4 4257 B14R1.33 CNCCC(=O)Nc1ccc(cc1)Br 2230a_106832991635_100000740023 [0,1,0,0,0,1|2,0,0]=4 4258 B14R1.33 CNCCC(=O)Nc1ccc(cc1)Br 34a_100000743120_200000210301 [0,1,0,0,0,1|2,0,0]=4 4259 B14R1.33 CNCCC(=O)Nc1ccc(cc1)Br 34a_100102657272_100000740023 [0,1,0,0,0,1|2,0,0]=4 4260 B14R1.33 CNCCC(=O)Nc1ccc(cc1)Br 7a_106832991635_100000740023 [0,1,0,0,0,1|2,0,0]=4 4261 B14R1.33 CNCCC(=O)Nc1ccc(cc1)C 2230a_106832991635_200000187088 [0,1,0,0,0,1|2,0,0]=4 4262 B14R1.33 CNCCC(=O)Nc1ccc(cc1)C 34a_100015187665_200000210301 [0,1,0,0,0,1|2,0,0]=4 4263 B14R1.33 CNCCC(=O)Nc1ccc(cc1)C 34a_100102657272_200000187088 [0,1,0,0,0,1|2,0,0]=4 4264 B14R1.33 CNCCC(=O)Nc1ccc(cc1)C 7a_106832991635_200000187088 [0,1,0,0,0,1|2,0,0]=4 4265 B14R1.33 CNCCC(=O)Nc1ccc(cc1)Cl 2230a_106832991635_100000188356 [0,1,0,0,0,1|2,0,0]=4 4266 B14R1.33 CNCCC(=O)Nc1ccc(cc1)Cl 7a_106832991635_100000188356 [0,1,0,0,0,1|2,0,0]=4 4267 B14R1.33 CNCCC(=O)Nc1ccc(cc1)F 2230a_100015184513_200000210301 [0,1,0,0,0,1|2,0,0]=4 4268 B14R1.33 CNCCC(=O)Nc1ccc(cc1)F 2230a_106832991635_100000736363 [0,1,0,0,0,1|2,0,0]=4 4269 B14R1.33 CNCCC(=O)Nc1ccc(cc1)F 34a_100015184513_200000210301 [0,1,0,0,0,1|2,0,0]=4 4270 B14R1.33 CNCCC(=O)Nc1ccc(cc1)F 7a_106832991635_100000736363 [0,1,0,0,0,1|2,0,0]=4 4271 B14R1.33 CNCCC(=O)Nc1ccc(cc1)O 2230a_106832991635_100011302330 [0,1,0,0,0,1|2,0,0]=4 4272 B14R1.33 CNCCC(=O)Nc1ccc(cc1)O 7a_106832991635_100011302330 [0,1,0,0,0,1|2,0,0]=4 4273 B14R1.33 COCCC(=O)Cc1ccc(cc1)Br 1458a_100000198978_100000233755 [0,1,0,0,0,1|2,0,0]=4 4274 B14R1.33 COCCC(=O)Cc1ccc(cc1)Br 1458a_100000749529_100000189115 [0,1,0,0,0,1|2,0,0]=4 4275 B14R1.33 COCCC(=O)Cc1ccc(cc1)C 1458a_100000212244_100000233755 [0,1,0,0,0,1|2,0,0]=4 4276 B14R1.33 COCCC(=O)Cc1ccc(cc1)C 1458a_100000749529_100000210814 [0,1,0,0,0,1|2,0,0]=4 4277 B14R1.33 COCCC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100000233755 [0,1,0,0,0,1|2,0,0]=4 4278 B14R1.33 COCCC(=O)Cc1ccc(cc1)Cl 1458a_100000749529_100000694040 [0,1,0,0,0,1|2,0,0]=4 4279 B14R1.33 COCCC(=O)Cc1ccc(cc1)F 1458a_100000210951_100000233755 [0,1,0,0,0,1|2,0,0]=4 4280 B14R1.33 COCCC(=O)Cc1ccc(cc1)F 1458a_100000749529_100000198546 [0,1,0,0,0,1|2,0,0]=4 4281 B14R1.33 COCCC(=O)Cc1ccc(cc1)I 1458a_100000688869_100000233755 [0,1,0,0,0,1|2,0,0]=4 4282 B14R1.33 COCCC(=O)Cc1ccc(cc1)I 1458a_100000749529_100000189116 [0,1,0,0,0,1|2,0,0]=4 4283 B14R1.33 COCCC(=O)Cc1ccc(cc1)O 1458a_100000198540_100000233755 [0,1,0,0,0,1|2,0,0]=4 4284 B14R1.33 COCCC(=O)Nc1ccc(cc1)Br 11a_100000210018_100000749529 [0,1,0,0,0,1|2,0,0]=4 4285 B14R1.33 COCCC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000749529 [0,1,0,0,0,1|2,0,0]=4 4286 B14R1.33 COCCC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000749529 [0,1,0,0,0,1|2,0,0]=4 4287 B14R1.33 COCCC(=O)Nc1ccc(cc1)Br 34a_100138415774_100000740023 [0,1,0,0,0,1|2,0,0]=4 4288 B14R1.33 COCCC(=O)Nc1ccc(cc1)Br 527a_100000210018_100000749529 [0,1,0,0,0,1|2,0,0]=4 4289 B14R1.33 COCCC(=O)Nc1ccc(cc1)C 11a_100000124888_100000749529 [0,1,0,0,0,1|2,0,0]=4 4290 B14R1.33 COCCC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000749529 [0,1,0,0,0,1|2,0,0]=4 4291 B14R1.33 COCCC(=O)Nc1ccc(cc1)C 22a_100000124888_100000749529 [0,1,0,0,0,1|2,0,0]=4 4292 B14R1.33 COCCC(=O)Nc1ccc(cc1)C 34a_100138415774_200000187088 [0,1,0,0,0,1|2,0,0]=4 4293 B14R1.33 COCCC(=O)Nc1ccc(cc1)C 34a_200009859269_200000210301 [0,1,0,0,0,1|2,0,0]=4 4294 B14R1.33 COCCC(=O)Nc1ccc(cc1)C 527a_100000124888_100000749529 [0,1,0,0,0,1|2,0,0]=4 4295 B14R1.33 COCCC(=O)Nc1ccc(cc1)C 7a_200009859269_200000210301 [0,1,0,0,0,1|2,0,0]=4 4296 B14R1.33 COCCC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000749529 [0,1,0,0,0,1|2,0,0]=4 4297 B14R1.33 COCCC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000749529 [0,1,0,0,0,1|2,0,0]=4 4298 B14R1.33 COCCC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000749529 [0,1,0,0,0,1|2,0,0]=4 4299 B14R1.33 COCCC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100000749529 [0,1,0,0,0,1|2,0,0]=4 4300 B14R1.33 COCCC(=O)Nc1ccc(cc1)F 11a_100000185862_100000749529 [0,1,0,0,0,1|2,0,0]=4 4301 B14R1.33 COCCC(=O)Nc1ccc(cc1)F 1626a_100000185862_100000749529 [0,1,0,0,0,1|2,0,0]=4 4302 B14R1.33 COCCC(=O)Nc1ccc(cc1)F 22a_100000185862_100000749529 [0,1,0,0,0,1|2,0,0]=4 4303 B14R1.33 COCCC(=O)Nc1ccc(cc1)F 527a_100000185862_100000749529 [0,1,0,0,0,1|2,0,0]=4 4304 B14R1.33 COCCC(=O)Nc1ccc(cc1)I 11a_100000185761_100000749529 [0,1,0,0,0,1|2,0,0]=4 4305 B14R1.33 COCCC(=O)Nc1ccc(cc1)I 1626a_100000185761_100000749529 [0,1,0,0,0,1|2,0,0]=4 4306 B14R1.33 COCCC(=O)Nc1ccc(cc1)I 22a_100000185761_100000749529 [0,1,0,0,0,1|2,0,0]=4 4307 B14R1.33 COCCC(=O)Nc1ccc(cc1)I 527a_100000185761_100000749529 [0,1,0,0,0,1|2,0,0]=4 4308 B14R1.33 COCCC(=O)Nc1ccc(cc1)O 22a_100000185829_100000749529 [0,1,0,0,0,1|2,0,0]=4 4309 B14R1.33 CSCCC(=O)Cc1ccc(cc1)Br 1458a_100000174002_100000189115 [0,1,0,0,0,1|2,0,0]=4 4310 B14R1.33 CSCCC(=O)Cc1ccc(cc1)Br 1458a_100000198978_100000751147 [0,1,0,0,0,1|2,0,0]=4 4311 B14R1.33 CSCCC(=O)Cc1ccc(cc1)C 1458a_100000174002_100000210814 [0,1,0,0,0,1|2,0,0]=4 4312 B14R1.33 CSCCC(=O)Cc1ccc(cc1)C 1458a_100000212244_100000751147 [0,1,0,0,0,1|2,0,0]=4 4313 B14R1.33 CSCCC(=O)Cc1ccc(cc1)Cl 1458a_100000174002_100000694040 [0,1,0,0,0,1|2,0,0]=4 4314 B14R1.33 CSCCC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100000751147 [0,1,0,0,0,1|2,0,0]=4 4315 B14R1.33 CSCCC(=O)Cc1ccc(cc1)F 1458a_100000174002_100000198546 [0,1,0,0,0,1|2,0,0]=4 4316 B14R1.33 CSCCC(=O)Cc1ccc(cc1)F 1458a_100000210951_100000751147 [0,1,0,0,0,1|2,0,0]=4 4317 B14R1.33 CSCCC(=O)Cc1ccc(cc1)I 1458a_100000174002_100000189116 [0,1,0,0,0,1|2,0,0]=4 4318 B14R1.33 CSCCC(=O)Cc1ccc(cc1)I 1458a_100000688869_100000751147 [0,1,0,0,0,1|2,0,0]=4 4319 B14R1.33 CSCCC(=O)Cc1ccc(cc1)O 1458a_100000198540_100000751147 [0,1,0,0,0,1|2,0,0]=4 4320 B14R1.33 CSCCC(=O)Nc1ccc(cc1)Br 11a_100000210018_100000174002 [0,1,0,0,0,1|2,0,0]=4 4321 B14R1.33 CSCCC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000174002 [0,1,0,0,0,1|2,0,0]=4 4322 B14R1.33 CSCCC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000174002 [0,1,0,0,0,1|2,0,0]=4 4323 B14R1.33 CSCCC(=O)Nc1ccc(cc1)Br 527a_100000210018_100000174002 [0,1,0,0,0,1|2,0,0]=4 4324 B14R1.33 CSCCC(=O)Nc1ccc(cc1)Br 62a_100011219129_200000210301 [0,1,0,0,0,1|2,0,0]=4 4325 B14R1.33 CSCCC(=O)Nc1ccc(cc1)Br 62a_200000210301_100000740023 [0,1,0,0,0,1|2,0,0]=4 4326 B14R1.33 CSCCC(=O)Nc1ccc(cc1)C 11a_100000124888_100000174002 [0,1,0,0,0,1|2,0,0]=4 4327 B14R1.33 CSCCC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000174002 [0,1,0,0,0,1|2,0,0]=4 4328 B14R1.33 CSCCC(=O)Nc1ccc(cc1)C 22a_100000124888_100000174002 [0,1,0,0,0,1|2,0,0]=4 4329 B14R1.33 CSCCC(=O)Nc1ccc(cc1)C 527a_100000124888_100000174002 [0,1,0,0,0,1|2,0,0]=4 4330 B14R1.33 CSCCC(=O)Nc1ccc(cc1)C 62a_200000210301_200000187088 [0,1,0,0,0,1|2,0,0]=4 4331 B14R1.33 CSCCC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000174002 [0,1,0,0,0,1|2,0,0]=4 4332 B14R1.33 CSCCC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000174002 [0,1,0,0,0,1|2,0,0]=4 4333 B14R1.33 CSCCC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000174002 [0,1,0,0,0,1|2,0,0]=4 4334 B14R1.33 CSCCC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100000174002 [0,1,0,0,0,1|2,0,0]=4 4335 B14R1.33 CSCCC(=O)Nc1ccc(cc1)Cl 62a_200000210301_100000188356 [0,1,0,0,0,1|2,0,0]=4 4336 B14R1.33 CSCCC(=O)Nc1ccc(cc1)F 11a_100000185862_100000174002 [0,1,0,0,0,1|2,0,0]=4 4337 B14R1.33 CSCCC(=O)Nc1ccc(cc1)F 1626a_100000185862_100000174002 [0,1,0,0,0,1|2,0,0]=4 4338 B14R1.33 CSCCC(=O)Nc1ccc(cc1)F 22a_100000185862_100000174002 [0,1,0,0,0,1|2,0,0]=4 4339 B14R1.33 CSCCC(=O)Nc1ccc(cc1)F 527a_100000185862_100000174002 [0,1,0,0,0,1|2,0,0]=4 4340 B14R1.33 CSCCC(=O)Nc1ccc(cc1)F 62a_200000210301_100000736363 [0,1,0,0,0,1|2,0,0]=4 4341 B14R1.33 CSCCC(=O)Nc1ccc(cc1)I 11a_100000185761_100000174002 [0,1,0,0,0,1|2,0,0]=4 4342 B14R1.33 CSCCC(=O)Nc1ccc(cc1)I 1626a_100000185761_100000174002 [0,1,0,0,0,1|2,0,0]=4 4343 B14R1.33 CSCCC(=O)Nc1ccc(cc1)I 22a_100000185761_100000174002 [0,1,0,0,0,1|2,0,0]=4 4344 B14R1.33 CSCCC(=O)Nc1ccc(cc1)I 527a_100000185761_100000174002 [0,1,0,0,0,1|2,0,0]=4 4345 B14R1.33 CSCCC(=O)Nc1ccc(cc1)O 22a_100000185829_100000174002 [0,1,0,0,0,1|2,0,0]=4 4346 B14R1.33 CSCCC(=O)Nc1ccc(cc1)O 62a_200000210301_100011302330 [0,1,0,0,0,1|2,0,0]=4 4347 B14R1.33 Cc1ccc(cc1)CC(=O)CCCF 1458a_100000212244_100011934791 [0,1,0,0,0,1|2,0,0]=4 4348 B14R1.33 Cc1ccc(cc1)CC(=O)CCCO 1458a_100000212244_100011215043 [0,1,0,0,0,1|2,0,0]=4 4349 B14R1.33 Cc1ccc(cc1)CC(=O)NCCF 11a_100000724931_100000212244 [0,1,0,0,0,1|2,0,0]=4 4350 B14R1.33 Cc1ccc(cc1)CC(=O)NCCF 240690a_100000724931_100000212244 [0,1,0,0,0,1|2,0,0]=4 4351 B14R1.33 Cc1ccc(cc1)CC(=O)NCCF 527a_100000724931_100000212244 [0,1,0,0,0,1|2,0,0]=4 4352 B14R1.33 Cc1ccc(cc1)CC(=O)NCCO 240690a_100000210304_100000212244 [0,1,0,0,0,1|2,0,0]=4 4353 B14R1.33 Cc1ccc(cc1)CC(=O)NCCO 527a_100000210304_100000212244 [0,1,0,0,0,1|2,0,0]=4 4354 B14R1.33 Cc1ccc(cc1)NC(=O)CCN[13CH3] 34a_100015187665_200025704644 [0,1,0,0,0,1|2,0,0]=4 4355 B14R1.33 Cc1ccc(cc1)NC(=O)CCO[13CH3] 34a_200009859269_200025704644 [0,1,0,0,0,1|2,0,0]=4 4356 B14R1.33 Cc1ccc(cc1)NC(=O)CCO[13CH3] 7a_200009859269_200025704644 [0,1,0,0,0,1|2,0,0]=4 4357 B14R1.33 Cc1ccc(cc1)NC(=O)CCS[13CH3] 62a_200025704644_200000187088 [0,1,0,0,0,1|2,0,0]=4 4358 B14R1.33 Cc1ccc(cc1)NC(=O)NCCF 2430a_100000124888_100000724931 [0,1,0,0,0,1|2,0,0]=4 4359 B14R1.33 Cc1ccc(cc1)NC(=O)NCCO 2430a_100000124888_100000210304 [0,1,0,0,0,1|2,0,0]=4 4360 B14R1.33 O=C(CCCF)Cc1ccc(cc1)Br 1458a_100000198978_100011934791 [0,1,0,0,0,1|2,0,0]=4 4361 B14R1.33 O=C(CCCF)Cc1ccc(cc1)Cl 1458a_100000211027_100011934791 [0,1,0,0,0,1|2,0,0]=4 4362 B14R1.33 O=C(CCCF)Cc1ccc(cc1)F 1458a_100000210951_100011934791 [0,1,0,0,0,1|2,0,0]=4 4363 B14R1.33 O=C(CCCF)Cc1ccc(cc1)I 1458a_100000688869_100011934791 [0,1,0,0,0,1|2,0,0]=4 4364 B14R1.33 O=C(CCCF)Cc1ccc(cc1)O 1458a_100000198540_100011934791 [0,1,0,0,0,1|2,0,0]=4 4365 B14R1.33 O=C(CCCO)Cc1ccc(cc1)Br 1458a_100000198978_100011215043 [0,1,0,0,0,1|2,0,0]=4 4366 B14R1.33 O=C(CCCO)Cc1ccc(cc1)Cl 1458a_100000211027_100011215043 [0,1,0,0,0,1|2,0,0]=4 4367 B14R1.33 O=C(CCCO)Cc1ccc(cc1)F 1458a_100000210951_100011215043 [0,1,0,0,0,1|2,0,0]=4 4368 B14R1.33 O=C(CCCO)Cc1ccc(cc1)I 1458a_100000688869_100011215043 [0,1,0,0,0,1|2,0,0]=4 4369 B14R1.33 O=C(CCCO)Cc1ccc(cc1)O 1458a_100000198540_100011215043 [0,1,0,0,0,1|2,0,0]=4 4370 B14R1.33 O=C(Cc1ccc(cc1)Br)NCCF 11a_100000724931_100000198978 [0,1,0,0,0,1|2,0,0]=4 4371 B14R1.33 O=C(Cc1ccc(cc1)Br)NCCF 240690a_100000724931_100000198978 [0,1,0,0,0,1|2,0,0]=4 4372 B14R1.33 O=C(Cc1ccc(cc1)Br)NCCF 527a_100000724931_100000198978 [0,1,0,0,0,1|2,0,0]=4 4373 B14R1.33 O=C(Cc1ccc(cc1)Br)NCCO 240690a_100000210304_100000198978 [0,1,0,0,0,1|2,0,0]=4 4374 B14R1.33 O=C(Cc1ccc(cc1)Br)NCCO 527a_100000210304_100000198978 [0,1,0,0,0,1|2,0,0]=4 4375 B14R1.33 O=C(Cc1ccc(cc1)Cl)NCCF 11a_100000724931_100000211027 [0,1,0,0,0,1|2,0,0]=4 4376 B14R1.33 O=C(Cc1ccc(cc1)Cl)NCCF 240690a_100000724931_100000211027 [0,1,0,0,0,1|2,0,0]=4 4377 B14R1.33 O=C(Cc1ccc(cc1)Cl)NCCF 527a_100000724931_100000211027 [0,1,0,0,0,1|2,0,0]=4 4378 B14R1.33 O=C(Cc1ccc(cc1)Cl)NCCO 240690a_100000210304_100000211027 [0,1,0,0,0,1|2,0,0]=4 4379 B14R1.33 O=C(Cc1ccc(cc1)Cl)NCCO 527a_100000210304_100000211027 [0,1,0,0,0,1|2,0,0]=4 4380 B14R1.33 O=C(Cc1ccc(cc1)F)NCCF 11a_100000724931_100000210951 [0,1,0,0,0,1|2,0,0]=4 4381 B14R1.33 O=C(Cc1ccc(cc1)F)NCCF 1626a_100000724931_100000210951 [0,1,0,0,0,1|2,0,0]=4 4382 B14R1.33 O=C(Cc1ccc(cc1)F)NCCF 240690a_100000724931_100000210951 [0,1,0,0,0,1|2,0,0]=4 4383 B14R1.33 O=C(Cc1ccc(cc1)F)NCCF 527a_100000724931_100000210951 [0,1,0,0,0,1|2,0,0]=4 4384 B14R1.33 O=C(Cc1ccc(cc1)F)NCCO 240690a_100000210304_100000210951 [0,1,0,0,0,1|2,0,0]=4 4385 B14R1.33 O=C(Cc1ccc(cc1)F)NCCO 527a_100000210304_100000210951 [0,1,0,0,0,1|2,0,0]=4 4386 B14R1.33 O=C(Cc1ccc(cc1)I)NCCF 11a_100000724931_100000688869 [0,1,0,0,0,1|2,0,0]=4 4387 B14R1.33 O=C(Cc1ccc(cc1)I)NCCF 1626a_100000724931_100000688869 [0,1,0,0,0,1|2,0,0]=4 4388 B14R1.33 O=C(Cc1ccc(cc1)I)NCCF 240690a_100000724931_100000688869 [0,1,0,0,0,1|2,0,0]=4 4389 B14R1.33 O=C(Cc1ccc(cc1)I)NCCF 527a_100000724931_100000688869 [0,1,0,0,0,1|2,0,0]=4 4390 B14R1.33 O=C(Cc1ccc(cc1)I)NCCO 240690a_100000210304_100000688869 [0,1,0,0,0,1|2,0,0]=4 4391 B14R1.33 O=C(Cc1ccc(cc1)I)NCCO 527a_100000210304_100000688869 [0,1,0,0,0,1|2,0,0]=4 4392 B14R1.33 O=C(Cc1ccc(cc1)O)NCCF 1626a_100000724931_100000198540 [0,1,0,0,0,1|2,0,0]=4 4393 B14R1.33 O=C(Cc1ccc(cc1)O)NCCF 240690a_100000724931_100000198540 [0,1,0,0,0,1|2,0,0]=4 4394 B14R1.33 O=C(Cc1ccc(cc1)O)NCCF 527a_100000724931_100000198540 [0,1,0,0,0,1|2,0,0]=4 4395 B14R1.33 O=C(Cc1ccc(cc1)O)NCCO 240690a_100000210304_100000198540 [0,1,0,0,0,1|2,0,0]=4 4396 B14R1.33 O=C(Cc1ccc(cc1)O)NCCO 527a_100000210304_100000198540 [0,1,0,0,0,1|2,0,0]=4 4397 B14R1.33 O=C(NCCF)Nc1ccc(cc1)Br 2430a_100000210018_100000724931 [0,1,0,0,0,1|2,0,0]=4 4398 B14R1.33 O=C(NCCF)Nc1ccc(cc1)Cl 2430a_100000210052_100000724931 [0,1,0,0,0,1|2,0,0]=4 4399 B14R1.33 O=C(NCCF)Nc1ccc(cc1)F 2430a_100000185862_100000724931 [0,1,0,0,0,1|2,0,0]=4 4400 B14R1.33 O=C(NCCF)Nc1ccc(cc1)I 2430a_100000185761_100000724931 [0,1,0,0,0,1|2,0,0]=4 4401 B14R1.33 O=C(NCCF)Nc1ccc(cc1)O 2430a_100000185829_100000724931 [0,1,0,0,0,1|2,0,0]=4 4402 B14R1.33 O=C(NCCO)Nc1ccc(cc1)Br 2430a_100000210018_100000210304 [0,1,0,0,0,1|2,0,0]=4 4403 B14R1.33 O=C(NCCO)Nc1ccc(cc1)Cl 2430a_100000210052_100000210304 [0,1,0,0,0,1|2,0,0]=4 4404 B14R1.33 O=C(NCCO)Nc1ccc(cc1)F 2430a_100000185862_100000210304 [0,1,0,0,0,1|2,0,0]=4 4405 B14R1.33 O=C(NCCO)Nc1ccc(cc1)I 2430a_100000185761_100000210304 [0,1,0,0,0,1|2,0,0]=4 4406 B14R1.33 O=C(NCCO)Nc1ccc(cc1)O 2430a_100000185829_100000210304 [0,1,0,0,0,1|2,0,0]=4 4407 B14R1.33 [13CH3]NCCC(=O)Nc1ccc(cc1)Br 2230a_100000743120_200025704644 [0,1,0,0,0,1|2,0,0]=4 4408 B14R1.33 [13CH3]NCCC(=O)Nc1ccc(cc1)Br 34a_100000743120_200025704644 [0,1,0,0,0,1|2,0,0]=4 4409 B14R1.33 [13CH3]NCCC(=O)Nc1ccc(cc1)F 2230a_100015184513_200025704644 [0,1,0,0,0,1|2,0,0]=4 4410 B14R1.33 [13CH3]NCCC(=O)Nc1ccc(cc1)F 34a_100015184513_200025704644 [0,1,0,0,0,1|2,0,0]=4 4411 B14R1.33 [13CH3]SCCC(=O)Nc1ccc(cc1)Br 62a_100011219129_200025704644 [0,1,0,0,0,1|2,0,0]=4 4412 B14R1.33 [13CH3]SCCC(=O)Nc1ccc(cc1)Br 62a_200025704644_100000740023 [0,1,0,0,0,1|2,0,0]=4 4413 B14R1.33 [13CH3]SCCC(=O)Nc1ccc(cc1)Cl 62a_200025704644_100000188356 [0,1,0,0,0,1|2,0,0]=4 4414 B14R1.33 [13CH3]SCCC(=O)Nc1ccc(cc1)F 62a_200025704644_100000736363 [0,1,0,0,0,1|2,0,0]=4 4415 B14R1.33 [13CH3]SCCC(=O)Nc1ccc(cc1)O 62a_200025704644_100011302330 [0,1,0,0,0,1|2,0,0]=4 4416 B14R1.34 CCC#CC(=O)Cc1cccc(c1)Br 1458a_100011827653_100000211773 [0,1,0,0,0,1|1,0,1]=4 4417 B14R1.34 CCC#CC(=O)Cc1cccc(c1)C 1458a_100011827653_100000211840 [0,1,0,0,0,1|1,0,1]=4 4418 B14R1.34 CCC#CC(=O)Cc1cccc(c1)Cl 1458a_100011827653_100000181238 [0,1,0,0,0,1|1,0,1]=4 4419 B14R1.34 CCC#CC(=O)Cc1cccc(c1)F 1458a_100011827653_100000230114 [0,1,0,0,0,1|1,0,1]=4 4420 B14R1.34 CCC#CC(=O)Cc1cccc(c1)I 1458a_100011827653_100011218688 [0,1,0,0,0,1|1,0,1]=4 4421 B14R1.34 CCC#CC(=O)Cc1cccc(c1)O 1458a_100011827653_100011660834 [0,1,0,0,0,1|1,0,1]=4 4422 B14R1.34 CCC#CC(=O)Nc1cccc(c1)Br 22a_100000210019_100011827653 [0,1,0,0,0,1|1,0,1]=4 4423 B14R1.34 CCC#CC(=O)Nc1cccc(c1)C 22a_100000188690_100011827653 [0,1,0,0,0,1|1,0,1]=4 4424 B14R1.34 CCC#CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100011827653 [0,1,0,0,0,1|1,0,1]=4 4425 B14R1.34 CCC#CC(=O)Nc1cccc(c1)F 22a_100000210047_100011827653 [0,1,0,0,0,1|1,0,1]=4 4426 B14R1.34 CCC#CC(=O)Nc1cccc(c1)I 22a_100000211102_100011827653 [0,1,0,0,0,1|1,0,1]=4 4427 B14R1.34 CCC#CC(=O)Nc1cccc(c1)O 22a_100000210217_100011827653 [0,1,0,0,0,1|1,0,1]=4 4428 B14R1.34 CCC=CC(=O)Cc1cccc(c1)Br 1458a_100000212282_100000211773 [0,1,0,0,0,1|1,0,1]=4 4429 B14R1.34 CCC=CC(=O)Cc1cccc(c1)C 1458a_100000212282_100000211840 [0,1,0,0,0,1|1,0,1]=4 4430 B14R1.34 CCC=CC(=O)Cc1cccc(c1)Cl 1458a_100000212282_100000181238 [0,1,0,0,0,1|1,0,1]=4 4431 B14R1.34 CCC=CC(=O)Cc1cccc(c1)F 1458a_100000212282_100000230114 [0,1,0,0,0,1|1,0,1]=4 4432 B14R1.34 CCC=CC(=O)Cc1cccc(c1)I 1458a_100000212282_100011218688 [0,1,0,0,0,1|1,0,1]=4 4433 B14R1.34 CCC=CC(=O)Cc1cccc(c1)O 1458a_100000212282_100011660834 [0,1,0,0,0,1|1,0,1]=4 4434 B14R1.34 CCC=CC(=O)Nc1cccc(c1)Br 11a_100000210019_100000212282 [0,1,0,0,0,1|1,0,1]=4 4435 B14R1.34 CCC=CC(=O)Nc1cccc(c1)Br 1626a_100000210019_100000212282 [0,1,0,0,0,1|1,0,1]=4 4436 B14R1.34 CCC=CC(=O)Nc1cccc(c1)Br 22a_100000210019_100000212282 [0,1,0,0,0,1|1,0,1]=4 4437 B14R1.34 CCC=CC(=O)Nc1cccc(c1)C 11a_100000188690_100000212282 [0,1,0,0,0,1|1,0,1]=4 4438 B14R1.34 CCC=CC(=O)Nc1cccc(c1)C 1626a_100000188690_100000212282 [0,1,0,0,0,1|1,0,1]=4 4439 B14R1.34 CCC=CC(=O)Nc1cccc(c1)C 22a_100000188690_100000212282 [0,1,0,0,0,1|1,0,1]=4 4440 B14R1.34 CCC=CC(=O)Nc1cccc(c1)Cl 11a_100000185859_100000212282 [0,1,0,0,0,1|1,0,1]=4 4441 B14R1.34 CCC=CC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000212282 [0,1,0,0,0,1|1,0,1]=4 4442 B14R1.34 CCC=CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000212282 [0,1,0,0,0,1|1,0,1]=4 4443 B14R1.34 CCC=CC(=O)Nc1cccc(c1)F 11a_100000210047_100000212282 [0,1,0,0,0,1|1,0,1]=4 4444 B14R1.34 CCC=CC(=O)Nc1cccc(c1)F 1626a_100000210047_100000212282 [0,1,0,0,0,1|1,0,1]=4 4445 B14R1.34 CCC=CC(=O)Nc1cccc(c1)F 22a_100000210047_100000212282 [0,1,0,0,0,1|1,0,1]=4 4446 B14R1.34 CCC=CC(=O)Nc1cccc(c1)I 11a_100000211102_100000212282 [0,1,0,0,0,1|1,0,1]=4 4447 B14R1.34 CCC=CC(=O)Nc1cccc(c1)I 1626a_100000211102_100000212282 [0,1,0,0,0,1|1,0,1]=4 4448 B14R1.34 CCC=CC(=O)Nc1cccc(c1)I 22a_100000211102_100000212282 [0,1,0,0,0,1|1,0,1]=4 4449 B14R1.34 CCC=CC(=O)Nc1cccc(c1)O 1626a_100000210217_100000212282 [0,1,0,0,0,1|1,0,1]=4 4450 B14R1.34 CCC=CC(=O)Nc1cccc(c1)O 22a_100000210217_100000212282 [0,1,0,0,0,1|1,0,1]=4 4451 B14R1.34 CCCCC(=Cc1cccc(c1)Br)Br 271570a_206741709834_100000691529 [0,1,0,0,0,1|2,0,0]=4 4452 B14R1.34 CCCCC(=Cc1cccc(c1)C)Br 271570a_206741709834_100011215228 [0,1,0,0,0,1|2,0,0]=4 4453 B14R1.34 CCCCC(=Cc1cccc(c1)Cl)Br 271570a_206741709834_100000699651 [0,1,0,0,0,1|2,0,0]=4 4454 B14R1.34 CCCCC(=Cc1cccc(c1)F)Br 271570a_206741709834_100000685547 [0,1,0,0,0,1|2,0,0]=4 4455 B14R1.34 CCCCC(=Cc1cccc(c1)N)Br 271570a_206741709834_100000210019 [0,1,0,0,0,1|2,0,0]=4 4456 B14R1.34 CCCCC(=Cc1cccc(c1)O)Br 271570a_206741709834_100000211634 [0,1,0,0,0,1|2,0,0]=4 4457 B14R1.34 CCCCC(=Cc1cccc(c1)[S])Br 271570a_206741709834_114929384022 [0,1,0,0,0,1|2,0,0]=4 4458 B14R1.34 CCCCC(=O)Cc1cc(ccn1)Br 1458a_100000210183_100010173614 [0,1,0,0,0,1|2,0,0]=4 4459 B14R1.34 CCCCC(=O)Cc1cc(ccn1)C 1458a_100000210183_100000718516 [0,1,0,0,0,1|2,0,0]=4 4460 B14R1.34 CCCCC(=O)Cc1cc(ccn1)Cl 1458a_100000210183_100016988179 [0,1,0,0,0,1|2,0,0]=4 4461 B14R1.34 CCCCC(=O)Cc1cccc(c1)Br 1458a_100000210183_100000211773 [0,1,0,0,0,1|1,0,0]=3 4462 B14R1.34 CCCCC(=O)Cc1cccc(c1)Br 1458a_100000747190_100000210211 [0,1,0,0,0,1|1,0,0]=3 4463 B14R1.34 CCCCC(=O)Cc1cccc(c1)C 1458a_100000210183_100000211840 [0,1,0,0,0,1|1,0,0]=3 4464 B14R1.34 CCCCC(=O)Cc1cccc(c1)C 1458a_100011206899_100000210211 [0,1,0,0,0,1|1,0,0]=3 4465 B14R1.34 CCCCC(=O)Cc1cccc(c1)Cl 1458a_100000210183_100000181238 [0,1,0,0,0,1|1,0,0]=3 4466 B14R1.34 CCCCC(=O)Cc1cccc(c1)Cl 1458a_100000749307_100000210211 [0,1,0,0,0,1|1,0,0]=3 4467 B14R1.34 CCCCC(=O)Cc1cccc(c1)F 1458a_100000210183_100000230114 [0,1,0,0,0,1|1,0,0]=3 4468 B14R1.34 CCCCC(=O)Cc1cccc(c1)F 1458a_100000211661_100000210211 [0,1,0,0,0,1|1,0,0]=3 4469 B14R1.34 CCCCC(=O)Cc1cccc(c1)I 1458a_100000210183_100011218688 [0,1,0,0,0,1|1,0,0]=3 4470 B14R1.34 CCCCC(=O)Cc1cccc(c1)I 1458a_100000238430_100000210211 [0,1,0,0,0,1|1,0,0]=3 4471 B14R1.34 CCCCC(=O)Cc1cccc(c1)O 1458a_100000210183_100011660834 [0,1,0,0,0,1|1,0,0]=3 4472 B14R1.34 CCCCC(=O)Cc1cccc(c1)O 1458a_100000745134_100000210211 [0,1,0,0,0,1|1,0,0]=3 4473 B14R1.34 CCCCC(=O)Cc1cccc(n1)Br 1458a_100000210183_100009889011 [0,1,0,0,0,1|2,0,0]=4 4474 B14R1.34 CCCCC(=O)Cc1cccc(n1)Br 1458a_100010201708_100000210211 [0,1,0,0,0,1|2,0,0]=4 4475 B14R1.34 CCCCC(=O)Cc1cccc(n1)C 1458a_100000210183_100000757606 [0,1,0,0,0,1|2,0,0]=4 4476 B14R1.34 CCCCC(=O)Cc1cccc(n1)C 1458a_100012001110_100000210211 [0,1,0,0,0,1|2,0,0]=4 4477 B14R1.34 CCCCC(=O)Cc1cccc(n1)Cl 1458a_100000090259_100000210211 [0,1,0,0,0,1|2,0,0]=4 4478 B14R1.34 CCCCC(=O)Cc1cccc(n1)Cl 1458a_100000210183_100000086093 [0,1,0,0,0,1|2,0,0]=4 4479 B14R1.34 CCCCC(=O)Cc1cccc(n1)F 1458a_100000096803_100000210211 [0,1,0,0,0,1|2,0,0]=4 4480 B14R1.34 CCCCC(=O)Cc1cccc(n1)F 1458a_100000210183_100009819644 [0,1,0,0,0,1|2,0,0]=4 4481 B14R1.34 CCCCC(=O)Cc1ccnc(c1)Br 1458a_100000210183_100010243470 [0,1,0,0,0,1|2,0,0]=4 4482 B14R1.34 CCCCC(=O)Cc1ccnc(c1)Br 1458a_100010126891_100000210211 [0,1,0,0,0,1|2,0,0]=4 4483 B14R1.34 CCCCC(=O)Cc1ccnc(c1)C 1458a_100000210183_200020672517 [0,1,0,0,0,1|2,0,0]=4 4484 B14R1.34 CCCCC(=O)Cc1ccnc(c1)Cl 1458a_100000210183_100000764220 [0,1,0,0,0,1|2,0,0]=4 4485 B14R1.34 CCCCC(=O)Cc1cncc(c1)Br 1458a_100000210183_100011740620 [0,1,0,0,0,1|2,0,0]=4 4486 B14R1.34 CCCCC(=O)Cc1cncc(c1)Br 1458a_100000239331_100000210211 [0,1,0,0,0,1|2,0,0]=4 4487 B14R1.34 CCCCC(=O)Cc1cncc(c1)C 1458a_100000210183_100000716715 [0,1,0,0,0,1|2,0,0]=4 4488 B14R1.34 CCCCC(=O)Cc1cncc(c1)Cl 1458a_100000210183_100016992070 [0,1,0,0,0,1|2,0,0]=4 4489 B14R1.34 CCCCC(=O)Cc1cncc(c1)F 1458a_100000210183_100000725299 [0,1,0,0,0,1|2,0,0]=4 4490 B14R1.34 CCCCC(=O)Cc1cncc(c1)F 1458a_100011667516_100000210211 [0,1,0,0,0,1|2,0,0]=4 4491 B14R1.34 CCCCC(=O)Nc1cccc(c1)Br 11a_100000210019_100000210183 [0,1,0,0,0,1|1,0,0]=3 4492 B14R1.34 CCCCC(=O)Nc1cccc(c1)Br 1626a_100000210019_100000210183 [0,1,0,0,0,1|1,0,0]=3 4493 B14R1.34 CCCCC(=O)Nc1cccc(c1)Br 22a_100000210019_100000210183 [0,1,0,0,0,1|1,0,0]=3 4494 B14R1.34 CCCCC(=O)Nc1cccc(c1)Br 527a_100000210019_100000210183 [0,1,0,0,0,1|1,0,0]=3 4495 B14R1.34 CCCCC(=O)Nc1cccc(c1)C 11a_100000188690_100000210183 [0,1,0,0,0,1|1,0,0]=3 4496 B14R1.34 CCCCC(=O)Nc1cccc(c1)C 1626a_100000188690_100000210183 [0,1,0,0,0,1|1,0,0]=3 4497 B14R1.34 CCCCC(=O)Nc1cccc(c1)C 22a_100000188690_100000210183 [0,1,0,0,0,1|1,0,0]=3 4498 B14R1.34 CCCCC(=O)Nc1cccc(c1)C 527a_100000188690_100000210183 [0,1,0,0,0,1|1,0,0]=3 4499 B14R1.34 CCCCC(=O)Nc1cccc(c1)Cl 11a_100000185859_100000210183 [0,1,0,0,0,1|1,0,0]=3 4500 B14R1.34 CCCCC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000210183 [0,1,0,0,0,1|1,0,0]=3 4501 B14R1.34 CCCCC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000210183 [0,1,0,0,0,1|1,0,0]=3 4502 B14R1.34 CCCCC(=O)Nc1cccc(c1)F 11a_100000210047_100000210183 [0,1,0,0,0,1|1,0,0]=3 4503 B14R1.34 CCCCC(=O)Nc1cccc(c1)F 1626a_100000210047_100000210183 [0,1,0,0,0,1|1,0,0]=3 4504 B14R1.34 CCCCC(=O)Nc1cccc(c1)F 22a_100000210047_100000210183 [0,1,0,0,0,1|1,0,0]=3 4505 B14R1.34 CCCCC(=O)Nc1cccc(c1)F 527a_100000210047_100000210183 [0,1,0,0,0,1|1,0,0]=3 4506 B14R1.34 CCCCC(=O)Nc1cccc(c1)I 11a_100000211102_100000210183 [0,1,0,0,0,1|1,0,0]=3 4507 B14R1.34 CCCCC(=O)Nc1cccc(c1)I 1626a_100000211102_100000210183 [0,1,0,0,0,1|1,0,0]=3 4508 B14R1.34 CCCCC(=O)Nc1cccc(c1)I 22a_100000211102_100000210183 [0,1,0,0,0,1|1,0,0]=3 4509 B14R1.34 CCCCC(=O)Nc1cccc(c1)I 527a_100000211102_100000210183 [0,1,0,0,0,1|1,0,0]=3 4510 B14R1.34 CCCCC(=O)Nc1cccc(c1)O 1626a_100000210217_100000210183 [0,1,0,0,0,1|1,0,0]=3 4511 B14R1.34 CCCCC(=O)Nc1cccc(c1)O 22a_100000210217_100000210183 [0,1,0,0,0,1|1,0,0]=3 4512 B14R1.34 CCCCC(=O)Nc1cccc(c1)O 527a_100000210217_100000210183 [0,1,0,0,0,1|1,0,0]=3 4513 B14R1.34 CCCNC(=O)Cc1cccc(c1)Br 11a_100020643023_100000747190 [0,1,0,0,0,1|1,0,0]=3 4514 B14R1.34 CCCNC(=O)Cc1cccc(c1)Br 240690a_100020643023_100000747190 [0,1,0,0,0,1|1,0,0]=3 4515 B14R1.34 CCCNC(=O)Cc1cccc(c1)Br 527a_100020643023_100000747190 [0,1,0,0,0,1|1,0,0]=3 4516 B14R1.34 CCCNC(=O)Cc1cccc(c1)C 11a_100020643023_100011206899 [0,1,0,0,0,1|1,0,0]=3 4517 B14R1.34 CCCNC(=O)Cc1cccc(c1)C 1626a_100020643023_100011206899 [0,1,0,0,0,1|1,0,0]=3 4518 B14R1.34 CCCNC(=O)Cc1cccc(c1)C 240690a_100020643023_100011206899 [0,1,0,0,0,1|1,0,0]=3 4519 B14R1.34 CCCNC(=O)Cc1cccc(c1)C 527a_100020643023_100011206899 [0,1,0,0,0,1|1,0,0]=3 4520 B14R1.34 CCCNC(=O)Cc1cccc(c1)Cl 11a_100020643023_100000749307 [0,1,0,0,0,1|1,0,0]=3 4521 B14R1.34 CCCNC(=O)Cc1cccc(c1)Cl 1626a_100020643023_100000749307 [0,1,0,0,0,1|1,0,0]=3 4522 B14R1.34 CCCNC(=O)Cc1cccc(c1)Cl 240690a_100020643023_100000749307 [0,1,0,0,0,1|1,0,0]=3 4523 B14R1.34 CCCNC(=O)Cc1cccc(c1)Cl 527a_100020643023_100000749307 [0,1,0,0,0,1|1,0,0]=3 4524 B14R1.34 CCCNC(=O)Cc1cccc(c1)F 11a_100020643023_100000211661 [0,1,0,0,0,1|1,0,0]=3 4525 B14R1.34 CCCNC(=O)Cc1cccc(c1)F 1626a_100020643023_100000211661 [0,1,0,0,0,1|1,0,0]=3 4526 B14R1.34 CCCNC(=O)Cc1cccc(c1)F 240690a_100020643023_100000211661 [0,1,0,0,0,1|1,0,0]=3 4527 B14R1.34 CCCNC(=O)Cc1cccc(c1)F 527a_100020643023_100000211661 [0,1,0,0,0,1|1,0,0]=3 4528 B14R1.34 CCCNC(=O)Cc1cccc(c1)I 11a_100020643023_100000238430 [0,1,0,0,0,1|1,0,0]=3 4529 B14R1.34 CCCNC(=O)Cc1cccc(c1)I 1626a_100020643023_100000238430 [0,1,0,0,0,1|1,0,0]=3 4530 B14R1.34 CCCNC(=O)Cc1cccc(c1)I 240690a_100020643023_100000238430 [0,1,0,0,0,1|1,0,0]=3 4531 B14R1.34 CCCNC(=O)Cc1cccc(c1)I 527a_100020643023_100000238430 [0,1,0,0,0,1|1,0,0]=3 4532 B14R1.34 CCCNC(=O)Cc1cccc(c1)O 240690a_100020643023_100000745134 [0,1,0,0,0,1|1,0,0]=3 4533 B14R1.34 CCCNC(=O)Cc1cccc(c1)O 527a_100020643023_100000745134 [0,1,0,0,0,1|1,0,0]=3 4534 B14R1.34 CCCNC(=O)Cc1cccc(n1)Br 11a_100020643023_100010201708 [0,1,0,0,0,1|2,0,0]=4 4535 B14R1.34 CCCNC(=O)Cc1cccc(n1)Br 240690a_100020643023_100010201708 [0,1,0,0,0,1|2,0,0]=4 4536 B14R1.34 CCCNC(=O)Cc1cccc(n1)Br 527a_100020643023_100010201708 [0,1,0,0,0,1|2,0,0]=4 4537 B14R1.34 CCCNC(=O)Cc1cccc(n1)C 11a_100020643023_100012001110 [0,1,0,0,0,1|2,0,0]=4 4538 B14R1.34 CCCNC(=O)Cc1cccc(n1)C 1626a_100020643023_100012001110 [0,1,0,0,0,1|2,0,0]=4 4539 B14R1.34 CCCNC(=O)Cc1cccc(n1)C 240690a_100020643023_100012001110 [0,1,0,0,0,1|2,0,0]=4 4540 B14R1.34 CCCNC(=O)Cc1cccc(n1)C 527a_100020643023_100012001110 [0,1,0,0,0,1|2,0,0]=4 4541 B14R1.34 CCCNC(=O)Cc1cccc(n1)Cl 11a_100020643023_100000090259 [0,1,0,0,0,1|2,0,0]=4 4542 B14R1.34 CCCNC(=O)Cc1cccc(n1)Cl 1626a_100020643023_100000090259 [0,1,0,0,0,1|2,0,0]=4 4543 B14R1.34 CCCNC(=O)Cc1cccc(n1)Cl 240690a_100020643023_100000090259 [0,1,0,0,0,1|2,0,0]=4 4544 B14R1.34 CCCNC(=O)Cc1cccc(n1)F 11a_100020643023_100000096803 [0,1,0,0,0,1|2,0,0]=4 4545 B14R1.34 CCCNC(=O)Cc1cccc(n1)F 1626a_100020643023_100000096803 [0,1,0,0,0,1|2,0,0]=4 4546 B14R1.34 CCCNC(=O)Cc1cccc(n1)F 240690a_100020643023_100000096803 [0,1,0,0,0,1|2,0,0]=4 4547 B14R1.34 CCCNC(=O)Cc1ccnc(c1)Br 11a_100020643023_100010126891 [0,1,0,0,0,1|2,0,0]=4 4548 B14R1.34 CCCNC(=O)Cc1ccnc(c1)Br 240690a_100020643023_100010126891 [0,1,0,0,0,1|2,0,0]=4 4549 B14R1.34 CCCNC(=O)Cc1ccnc(c1)Br 527a_100020643023_100010126891 [0,1,0,0,0,1|2,0,0]=4 4550 B14R1.34 CCCNC(=O)Cc1ccnc(c1)Cl 11a_100020643023_100000085289 [0,1,0,0,0,1|2,0,0]=4 4551 B14R1.34 CCCNC(=O)Cc1ccnc(c1)Cl 1626a_100020643023_100000085289 [0,1,0,0,0,1|2,0,0]=4 4552 B14R1.34 CCCNC(=O)Cc1ccnc(c1)Cl 240690a_100020643023_100000085289 [0,1,0,0,0,1|2,0,0]=4 4553 B14R1.34 CCCNC(=O)Cc1ccnc(c1)Cl 527a_100020643023_100000085289 [0,1,0,0,0,1|2,0,0]=4 4554 B14R1.34 CCCNC(=O)Cc1cncc(c1)Br 11a_100020643023_100000239331 [0,1,0,0,0,1|2,0,0]=4 4555 B14R1.34 CCCNC(=O)Cc1cncc(c1)Br 240690a_100020643023_100000239331 [0,1,0,0,0,1|2,0,0]=4 4556 B14R1.34 CCCNC(=O)Cc1cncc(c1)Br 527a_100020643023_100000239331 [0,1,0,0,0,1|2,0,0]=4 4557 B14R1.34 CCCNC(=O)Cc1cncc(c1)F 11a_100020643023_100011667516 [0,1,0,0,0,1|2,0,0]=4 4558 B14R1.34 CCCNC(=O)Cc1cncc(c1)F 240690a_100020643023_100011667516 [0,1,0,0,0,1|2,0,0]=4 4559 B14R1.34 CCCNC(=O)Cc1cncc(c1)F 527a_100020643023_100011667516 [0,1,0,0,0,1|2,0,0]=4 4560 B14R1.34 CCCNC(=O)Nc1cccc(c1)Br 2430a_100000210019_100020643023 [0,1,0,0,0,1|1,0,0]=3 4561 B14R1.34 CCCNC(=O)Nc1cccc(c1)Br 512a_100000210019_100020643023 [0,1,0,0,0,1|1,0,0]=3 4562 B14R1.34 CCCNC(=O)Nc1cccc(c1)C 2430a_100000188690_100020643023 [0,1,0,0,0,1|1,0,0]=3 4563 B14R1.34 CCCNC(=O)Nc1cccc(c1)C 512a_100000188690_100020643023 [0,1,0,0,0,1|1,0,0]=3 4564 B14R1.34 CCCNC(=O)Nc1cccc(c1)Cl 2430a_100000185859_100020643023 [0,1,0,0,0,1|1,0,0]=3 4565 B14R1.34 CCCNC(=O)Nc1cccc(c1)F 2430a_100000210047_100020643023 [0,1,0,0,0,1|1,0,0]=3 4566 B14R1.34 CCCNC(=O)Nc1cccc(c1)F 512a_100000210047_100020643023 [0,1,0,0,0,1|1,0,0]=3 4567 B14R1.34 CCCNC(=O)Nc1cccc(c1)I 2430a_100000211102_100020643023 [0,1,0,0,0,1|1,0,0]=3 4568 B14R1.34 CCCNC(=O)Nc1cccc(c1)I 512a_100000211102_100020643023 [0,1,0,0,0,1|1,0,0]=3 4569 B14R1.34 CCCNC(=O)Nc1cccc(c1)O 2430a_100000210217_100020643023 [0,1,0,0,0,1|1,0,0]=3 4570 B14R1.34 CCCNC(=O)Nc1cccc(c1)O 512a_100000210217_100020643023 [0,1,0,0,0,1|1,0,0]=3 4571 B14R1.34 CCNCC(=O)Nc1cccc(c1)Br 2230a_100015525214_100000183509 [0,1,0,0,0,1|2,0,0]=4 4572 B14R1.34 CCNCC(=O)Nc1cccc(c1)C 2230a_100015525214_100000182861 [0,1,0,0,0,1|2,0,0]=4 4573 B14R1.34 CCNCC(=O)Nc1cccc(c1)Cl 2230a_100015525214_100000182995 [0,1,0,0,0,1|2,0,0]=4 4574 B14R1.34 CCNCC(=O)Nc1cccc(c1)Cl 2230a_100102560372_100000210202 [0,1,0,0,0,1|2,0,0]=4 4575 B14R1.34 CCNCC(=O)Nc1cccc(c1)F 2230a_100000168492_100000210202 [0,1,0,0,0,1|2,0,0]=4 4576 B14R1.34 CCNCC(=O)Nc1cccc(c1)F 2230a_100015525214_100000183335 [0,1,0,0,0,1|2,0,0]=4 4577 B14R1.34 CCNCC(=O)Nc1cccc(c1)F 34a_100000168492_100000210202 [0,1,0,0,0,1|2,0,0]=4 4578 B14R1.34 CCNCC(=O)Nc1cccc(c1)O 2230a_100015525214_100011236192 [0,1,0,0,0,1|2,0,0]=4 4579 B14R1.34 CCNNC(=O)Cc1cccc(c1)Br 22a_100000756455_100000747190 [0,1,0,0,0,1|2,0,0]=4 4580 B14R1.34 CCNNC(=O)Cc1cccc(c1)C 22a_100000756455_100011206899 [0,1,0,0,0,1|2,0,0]=4 4581 B14R1.34 CCNNC(=O)Cc1cccc(c1)Cl 22a_100000756455_100000749307 [0,1,0,0,0,1|2,0,0]=4 4582 B14R1.34 CCNNC(=O)Cc1cccc(c1)F 22a_100000756455_100000211661 [0,1,0,0,0,1|2,0,0]=4 4583 B14R1.34 CCNNC(=O)Cc1cccc(c1)I 22a_100000756455_100000238430 [0,1,0,0,0,1|2,0,0]=4 4584 B14R1.34 CCNNC(=O)Cc1cccc(c1)O 22a_100000756455_100000745134 [0,1,0,0,0,1|2,0,0]=4 4585 B14R1.34 CCNNC(=O)Nc1cccc(c1)Br 512a_100000210019_100000756455 [0,1,0,0,0,1|2,0,0]=4 4586 B14R1.34 CCNNC(=O)Nc1cccc(c1)C 512a_100000188690_100000756455 [0,1,0,0,0,1|2,0,0]=4 4587 B14R1.34 CCNNC(=O)Nc1cccc(c1)F 512a_100000210047_100000756455 [0,1,0,0,0,1|2,0,0]=4 4588 B14R1.34 CCNNC(=O)Nc1cccc(c1)I 512a_100000211102_100000756455 [0,1,0,0,0,1|2,0,0]=4 4589 B14R1.34 CCNNC(=O)Nc1cccc(c1)O 512a_100000210217_100000756455 [0,1,0,0,0,1|2,0,0]=4 4590 B14R1.34 CCOCC(=O)Cc1cccc(c1)Br 1458a_100000211967_100000211773 [0,1,0,0,0,1|2,0,0]=4 4591 B14R1.34 CCOCC(=O)Cc1cccc(c1)C 1458a_100000211967_100000211840 [0,1,0,0,0,1|2,0,0]=4 4592 B14R1.34 CCOCC(=O)Cc1cccc(c1)Cl 1458a_100000211967_100000181238 [0,1,0,0,0,1|2,0,0]=4 4593 B14R1.34 CCOCC(=O)Cc1cccc(c1)F 1458a_100000211967_100000230114 [0,1,0,0,0,1|2,0,0]=4 4594 B14R1.34 CCOCC(=O)Cc1cccc(c1)I 1458a_100000211967_100011218688 [0,1,0,0,0,1|2,0,0]=4 4595 B14R1.34 CCOCC(=O)Cc1cccc(c1)O 1458a_100000211967_100011660834 [0,1,0,0,0,1|2,0,0]=4 4596 B14R1.34 CCOCC(=O)Nc1cccc(c1)Br 11a_100000210019_100000211967 [0,1,0,0,0,1|2,0,0]=4 4597 B14R1.34 CCOCC(=O)Nc1cccc(c1)Br 1626a_100000210019_100000211967 [0,1,0,0,0,1|2,0,0]=4 4598 B14R1.34 CCOCC(=O)Nc1cccc(c1)Br 22a_100000210019_100000211967 [0,1,0,0,0,1|2,0,0]=4 4599 B14R1.34 CCOCC(=O)Nc1cccc(c1)Br 34a_100121572206_100000183509 [0,1,0,0,0,1|2,0,0]=4 4600 B14R1.34 CCOCC(=O)Nc1cccc(c1)Br 527a_100000210019_100000211967 [0,1,0,0,0,1|2,0,0]=4 4601 B14R1.34 CCOCC(=O)Nc1cccc(c1)C 11a_100000188690_100000211967 [0,1,0,0,0,1|2,0,0]=4 4602 B14R1.34 CCOCC(=O)Nc1cccc(c1)C 1626a_100000188690_100000211967 [0,1,0,0,0,1|2,0,0]=4 4603 B14R1.34 CCOCC(=O)Nc1cccc(c1)C 22a_100000188690_100000211967 [0,1,0,0,0,1|2,0,0]=4 4604 B14R1.34 CCOCC(=O)Nc1cccc(c1)C 34a_100000749660_100000210202 [0,1,0,0,0,1|2,0,0]=4 4605 B14R1.34 CCOCC(=O)Nc1cccc(c1)C 34a_100121572206_100000182861 [0,1,0,0,0,1|2,0,0]=4 4606 B14R1.34 CCOCC(=O)Nc1cccc(c1)C 527a_100000188690_100000211967 [0,1,0,0,0,1|2,0,0]=4 4607 B14R1.34 CCOCC(=O)Nc1cccc(c1)Cl 11a_100000185859_100000211967 [0,1,0,0,0,1|2,0,0]=4 4608 B14R1.34 CCOCC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000211967 [0,1,0,0,0,1|2,0,0]=4 4609 B14R1.34 CCOCC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000211967 [0,1,0,0,0,1|2,0,0]=4 4610 B14R1.34 CCOCC(=O)Nc1cccc(c1)Cl 34a_100121572206_100000182995 [0,1,0,0,0,1|2,0,0]=4 4611 B14R1.34 CCOCC(=O)Nc1cccc(c1)F 11a_100000210047_100000211967 [0,1,0,0,0,1|2,0,0]=4 4612 B14R1.34 CCOCC(=O)Nc1cccc(c1)F 1626a_100000210047_100000211967 [0,1,0,0,0,1|2,0,0]=4 4613 B14R1.34 CCOCC(=O)Nc1cccc(c1)F 22a_100000210047_100000211967 [0,1,0,0,0,1|2,0,0]=4 4614 B14R1.34 CCOCC(=O)Nc1cccc(c1)F 34a_100121572206_100000183335 [0,1,0,0,0,1|2,0,0]=4 4615 B14R1.34 CCOCC(=O)Nc1cccc(c1)F 527a_100000210047_100000211967 [0,1,0,0,0,1|2,0,0]=4 4616 B14R1.34 CCOCC(=O)Nc1cccc(c1)I 11a_100000211102_100000211967 [0,1,0,0,0,1|2,0,0]=4 4617 B14R1.34 CCOCC(=O)Nc1cccc(c1)I 1626a_100000211102_100000211967 [0,1,0,0,0,1|2,0,0]=4 4618 B14R1.34 CCOCC(=O)Nc1cccc(c1)I 22a_100000211102_100000211967 [0,1,0,0,0,1|2,0,0]=4 4619 B14R1.34 CCOCC(=O)Nc1cccc(c1)I 527a_100000211102_100000211967 [0,1,0,0,0,1|2,0,0]=4 4620 B14R1.34 CCOCC(=O)Nc1cccc(c1)O 1626a_100000210217_100000211967 [0,1,0,0,0,1|2,0,0]=4 4621 B14R1.34 CCOCC(=O)Nc1cccc(c1)O 22a_100000210217_100000211967 [0,1,0,0,0,1|2,0,0]=4 4622 B14R1.34 CCOCC(=O)Nc1cccc(c1)O 34a_100121572206_100011236192 [0,1,0,0,0,1|2,0,0]=4 4623 B14R1.34 CCOCC(=O)Nc1cccc(c1)O 527a_100000210217_100000211967 [0,1,0,0,0,1|2,0,0]=4 4624 B14R1.34 CCSCC(=O)Cc1cccc(c1)Br 1458a_100000230394_100000211773 [0,1,0,0,0,1|2,0,0]=4 4625 B14R1.34 CCSCC(=O)Cc1cccc(c1)C 1458a_100000230394_100000211840 [0,1,0,0,0,1|2,0,0]=4 4626 B14R1.34 CCSCC(=O)Cc1cccc(c1)Cl 1458a_100000230394_100000181238 [0,1,0,0,0,1|2,0,0]=4 4627 B14R1.34 CCSCC(=O)Cc1cccc(c1)F 1458a_100000230394_100000230114 [0,1,0,0,0,1|2,0,0]=4 4628 B14R1.34 CCSCC(=O)Cc1cccc(c1)I 1458a_100000230394_100011218688 [0,1,0,0,0,1|2,0,0]=4 4629 B14R1.34 CCSCC(=O)Cc1cccc(c1)O 1458a_100000230394_100011660834 [0,1,0,0,0,1|2,0,0]=4 4630 B14R1.34 CCSCC(=O)Nc1cccc(c1)Br 11a_100000210019_100000230394 [0,1,0,0,0,1|2,0,0]=4 4631 B14R1.34 CCSCC(=O)Nc1cccc(c1)Br 1626a_100000210019_100000230394 [0,1,0,0,0,1|2,0,0]=4 4632 B14R1.34 CCSCC(=O)Nc1cccc(c1)Br 22a_100000210019_100000230394 [0,1,0,0,0,1|2,0,0]=4 4633 B14R1.34 CCSCC(=O)Nc1cccc(c1)Br 527a_100000210019_100000230394 [0,1,0,0,0,1|2,0,0]=4 4634 B14R1.34 CCSCC(=O)Nc1cccc(c1)Br 62a_100000183509_100000210202 [0,1,0,0,0,1|2,0,0]=4 4635 B14R1.34 CCSCC(=O)Nc1cccc(c1)Br 62a_100000210202_100000183509 [0,1,0,0,0,1|2,0,0]=4 4636 B14R1.34 CCSCC(=O)Nc1cccc(c1)C 11a_100000188690_100000230394 [0,1,0,0,0,1|2,0,0]=4 4637 B14R1.34 CCSCC(=O)Nc1cccc(c1)C 1626a_100000188690_100000230394 [0,1,0,0,0,1|2,0,0]=4 4638 B14R1.34 CCSCC(=O)Nc1cccc(c1)C 22a_100000188690_100000230394 [0,1,0,0,0,1|2,0,0]=4 4639 B14R1.34 CCSCC(=O)Nc1cccc(c1)C 527a_100000188690_100000230394 [0,1,0,0,0,1|2,0,0]=4 4640 B14R1.34 CCSCC(=O)Nc1cccc(c1)C 62a_100000210202_100000182861 [0,1,0,0,0,1|2,0,0]=4 4641 B14R1.34 CCSCC(=O)Nc1cccc(c1)C 62a_100000243722_100000210202 [0,1,0,0,0,1|2,0,0]=4 4642 B14R1.34 CCSCC(=O)Nc1cccc(c1)Cl 11a_100000185859_100000230394 [0,1,0,0,0,1|2,0,0]=4 4643 B14R1.34 CCSCC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000230394 [0,1,0,0,0,1|2,0,0]=4 4644 B14R1.34 CCSCC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000230394 [0,1,0,0,0,1|2,0,0]=4 4645 B14R1.34 CCSCC(=O)Nc1cccc(c1)Cl 62a_100000210202_100000182995 [0,1,0,0,0,1|2,0,0]=4 4646 B14R1.34 CCSCC(=O)Nc1cccc(c1)F 11a_100000210047_100000230394 [0,1,0,0,0,1|2,0,0]=4 4647 B14R1.34 CCSCC(=O)Nc1cccc(c1)F 1626a_100000210047_100000230394 [0,1,0,0,0,1|2,0,0]=4 4648 B14R1.34 CCSCC(=O)Nc1cccc(c1)F 22a_100000210047_100000230394 [0,1,0,0,0,1|2,0,0]=4 4649 B14R1.34 CCSCC(=O)Nc1cccc(c1)F 527a_100000210047_100000230394 [0,1,0,0,0,1|2,0,0]=4 4650 B14R1.34 CCSCC(=O)Nc1cccc(c1)F 62a_100000183335_100000210202 [0,1,0,0,0,1|2,0,0]=4 4651 B14R1.34 CCSCC(=O)Nc1cccc(c1)F 62a_100000210202_100000183335 [0,1,0,0,0,1|2,0,0]=4 4652 B14R1.34 CCSCC(=O)Nc1cccc(c1)I 11a_100000211102_100000230394 [0,1,0,0,0,1|2,0,0]=4 4653 B14R1.34 CCSCC(=O)Nc1cccc(c1)I 1626a_100000211102_100000230394 [0,1,0,0,0,1|2,0,0]=4 4654 B14R1.34 CCSCC(=O)Nc1cccc(c1)I 22a_100000211102_100000230394 [0,1,0,0,0,1|2,0,0]=4 4655 B14R1.34 CCSCC(=O)Nc1cccc(c1)I 527a_100000211102_100000230394 [0,1,0,0,0,1|2,0,0]=4 4656 B14R1.34 CCSCC(=O)Nc1cccc(c1)O 1626a_100000210217_100000230394 [0,1,0,0,0,1|2,0,0]=4 4657 B14R1.34 CCSCC(=O)Nc1cccc(c1)O 22a_100000210217_100000230394 [0,1,0,0,0,1|2,0,0]=4 4658 B14R1.34 CCSCC(=O)Nc1cccc(c1)O 527a_100000210217_100000230394 [0,1,0,0,0,1|2,0,0]=4 4659 B14R1.34 CCSCC(=O)Nc1cccc(c1)O 62a_100000210202_100011236192 [0,1,0,0,0,1|2,0,0]=4 4660 B14R1.34 CNCCC(=O)Nc1cccc(c1)C 2230a_106832991635_100011194834 [0,1,0,0,0,1|2,0,0]=4 4661 B14R1.34 CNCCC(=O)Nc1cccc(c1)C 2230a_200015186421_200000210301 [0,1,0,0,0,1|2,0,0]=4 4662 B14R1.34 CNCCC(=O)Nc1cccc(c1)C 34a_100102657272_100011194834 [0,1,0,0,0,1|2,0,0]=4 4663 B14R1.34 CNCCC(=O)Nc1cccc(c1)C 34a_200015186421_200000210301 [0,1,0,0,0,1|2,0,0]=4 4664 B14R1.34 CNCCC(=O)Nc1cccc(c1)C 7a_106832991635_100011194834 [0,1,0,0,0,1|2,0,0]=4 4665 B14R1.34 CNCCC(=O)Nc1cccc(c1)Cl 2230a_106832991635_100000242061 [0,1,0,0,0,1|2,0,0]=4 4666 B14R1.34 CNCCC(=O)Nc1cccc(c1)Cl 34a_100102657272_100000242061 [0,1,0,0,0,1|2,0,0]=4 4667 B14R1.34 CNCCC(=O)Nc1cccc(c1)Cl 7a_106832991635_100000242061 [0,1,0,0,0,1|2,0,0]=4 4668 B14R1.34 CNCCC(=O)Nc1cccc(c1)F 2230a_100015185233_200000210301 [0,1,0,0,0,1|2,0,0]=4 4669 B14R1.34 CNCCC(=O)Nc1cccc(c1)F 2230a_106832991635_100000242062 [0,1,0,0,0,1|2,0,0]=4 4670 B14R1.34 CNCCC(=O)Nc1cccc(c1)F 34a_100015185233_200000210301 [0,1,0,0,0,1|2,0,0]=4 4671 B14R1.34 CNCCC(=O)Nc1cccc(c1)F 34a_100102657272_100000242062 [0,1,0,0,0,1|2,0,0]=4 4672 B14R1.34 CNCCC(=O)Nc1cccc(c1)F 7a_106832991635_100000242062 [0,1,0,0,0,1|2,0,0]=4 4673 B14R1.34 CNCCC(=O)Nc1cccc(c1)O 2230a_106832991635_200011436826 [0,1,0,0,0,1|2,0,0]=4 4674 B14R1.34 CNCCC(=O)Nc1cccc(c1)O 34a_100102657272_200011436826 [0,1,0,0,0,1|2,0,0]=4 4675 B14R1.34 CNCCC(=O)Nc1cccc(c1)O 7a_106832991635_200011436826 [0,1,0,0,0,1|2,0,0]=4 4676 B14R1.34 COCCC(=O)Cc1cccc(c1)Br 1458a_100000747190_100000233755 [0,1,0,0,0,1|2,0,0]=4 4677 B14R1.34 COCCC(=O)Cc1cccc(c1)Br 1458a_100000749529_100000211773 [0,1,0,0,0,1|2,0,0]=4 4678 B14R1.34 COCCC(=O)Cc1cccc(c1)C 1458a_100000749529_100000211840 [0,1,0,0,0,1|2,0,0]=4 4679 B14R1.34 COCCC(=O)Cc1cccc(c1)C 1458a_100011206899_100000233755 [0,1,0,0,0,1|2,0,0]=4 4680 B14R1.34 COCCC(=O)Cc1cccc(c1)Cl 1458a_100000749307_100000233755 [0,1,0,0,0,1|2,0,0]=4 4681 B14R1.34 COCCC(=O)Cc1cccc(c1)Cl 1458a_100000749529_100000181238 [0,1,0,0,0,1|2,0,0]=4 4682 B14R1.34 COCCC(=O)Cc1cccc(c1)F 1458a_100000211661_100000233755 [0,1,0,0,0,1|2,0,0]=4 4683 B14R1.34 COCCC(=O)Cc1cccc(c1)F 1458a_100000749529_100000230114 [0,1,0,0,0,1|2,0,0]=4 4684 B14R1.34 COCCC(=O)Cc1cccc(c1)I 1458a_100000238430_100000233755 [0,1,0,0,0,1|2,0,0]=4 4685 B14R1.34 COCCC(=O)Cc1cccc(c1)I 1458a_100000749529_100011218688 [0,1,0,0,0,1|2,0,0]=4 4686 B14R1.34 COCCC(=O)Cc1cccc(c1)O 1458a_100000745134_100000233755 [0,1,0,0,0,1|2,0,0]=4 4687 B14R1.34 COCCC(=O)Cc1cccc(c1)O 1458a_100000749529_100011660834 [0,1,0,0,0,1|2,0,0]=4 4688 B14R1.34 COCCC(=O)Nc1cccc(c1)Br 11a_100000210019_100000749529 [0,1,0,0,0,1|2,0,0]=4 4689 B14R1.34 COCCC(=O)Nc1cccc(c1)Br 1626a_100000210019_100000749529 [0,1,0,0,0,1|2,0,0]=4 4690 B14R1.34 COCCC(=O)Nc1cccc(c1)Br 22a_100000210019_100000749529 [0,1,0,0,0,1|2,0,0]=4 4691 B14R1.34 COCCC(=O)Nc1cccc(c1)Br 527a_100000210019_100000749529 [0,1,0,0,0,1|2,0,0]=4 4692 B14R1.34 COCCC(=O)Nc1cccc(c1)C 11a_100000188690_100000749529 [0,1,0,0,0,1|2,0,0]=4 4693 B14R1.34 COCCC(=O)Nc1cccc(c1)C 1626a_100000188690_100000749529 [0,1,0,0,0,1|2,0,0]=4 4694 B14R1.34 COCCC(=O)Nc1cccc(c1)C 22a_100000188690_100000749529 [0,1,0,0,0,1|2,0,0]=4 4695 B14R1.34 COCCC(=O)Nc1cccc(c1)C 34a_100138415774_100011194834 [0,1,0,0,0,1|2,0,0]=4 4696 B14R1.34 COCCC(=O)Nc1cccc(c1)C 527a_100000188690_100000749529 [0,1,0,0,0,1|2,0,0]=4 4697 B14R1.34 COCCC(=O)Nc1cccc(c1)Cl 11a_100000185859_100000749529 [0,1,0,0,0,1|2,0,0]=4 4698 B14R1.34 COCCC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000749529 [0,1,0,0,0,1|2,0,0]=4 4699 B14R1.34 COCCC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000749529 [0,1,0,0,0,1|2,0,0]=4 4700 B14R1.34 COCCC(=O)Nc1cccc(c1)Cl 34a_100138415774_100000242061 [0,1,0,0,0,1|2,0,0]=4 4701 B14R1.34 COCCC(=O)Nc1cccc(c1)F 11a_100000210047_100000749529 [0,1,0,0,0,1|2,0,0]=4 4702 B14R1.34 COCCC(=O)Nc1cccc(c1)F 1626a_100000210047_100000749529 [0,1,0,0,0,1|2,0,0]=4 4703 B14R1.34 COCCC(=O)Nc1cccc(c1)F 22a_100000210047_100000749529 [0,1,0,0,0,1|2,0,0]=4 4704 B14R1.34 COCCC(=O)Nc1cccc(c1)F 34a_100138415774_100000242062 [0,1,0,0,0,1|2,0,0]=4 4705 B14R1.34 COCCC(=O)Nc1cccc(c1)F 527a_100000210047_100000749529 [0,1,0,0,0,1|2,0,0]=4 4706 B14R1.34 COCCC(=O)Nc1cccc(c1)I 11a_100000211102_100000749529 [0,1,0,0,0,1|2,0,0]=4 4707 B14R1.34 COCCC(=O)Nc1cccc(c1)I 1626a_100000211102_100000749529 [0,1,0,0,0,1|2,0,0]=4 4708 B14R1.34 COCCC(=O)Nc1cccc(c1)I 22a_100000211102_100000749529 [0,1,0,0,0,1|2,0,0]=4 4709 B14R1.34 COCCC(=O)Nc1cccc(c1)I 527a_100000211102_100000749529 [0,1,0,0,0,1|2,0,0]=4 4710 B14R1.34 COCCC(=O)Nc1cccc(c1)O 1626a_100000210217_100000749529 [0,1,0,0,0,1|2,0,0]=4 4711 B14R1.34 COCCC(=O)Nc1cccc(c1)O 22a_100000210217_100000749529 [0,1,0,0,0,1|2,0,0]=4 4712 B14R1.34 COCCC(=O)Nc1cccc(c1)O 34a_100138415774_200011436826 [0,1,0,0,0,1|2,0,0]=4 4713 B14R1.34 COCCC(=O)Nc1cccc(c1)O 527a_100000210217_100000749529 [0,1,0,0,0,1|2,0,0]=4 4714 B14R1.34 CSCCC(=O)Cc1cccc(c1)Br 1458a_100000174002_100000211773 [0,1,0,0,0,1|2,0,0]=4 4715 B14R1.34 CSCCC(=O)Cc1cccc(c1)Br 1458a_100000747190_100000751147 [0,1,0,0,0,1|2,0,0]=4 4716 B14R1.34 CSCCC(=O)Cc1cccc(c1)C 1458a_100000174002_100000211840 [0,1,0,0,0,1|2,0,0]=4 4717 B14R1.34 CSCCC(=O)Cc1cccc(c1)C 1458a_100011206899_100000751147 [0,1,0,0,0,1|2,0,0]=4 4718 B14R1.34 CSCCC(=O)Cc1cccc(c1)Cl 1458a_100000174002_100000181238 [0,1,0,0,0,1|2,0,0]=4 4719 B14R1.34 CSCCC(=O)Cc1cccc(c1)Cl 1458a_100000749307_100000751147 [0,1,0,0,0,1|2,0,0]=4 4720 B14R1.34 CSCCC(=O)Cc1cccc(c1)F 1458a_100000174002_100000230114 [0,1,0,0,0,1|2,0,0]=4 4721 B14R1.34 CSCCC(=O)Cc1cccc(c1)F 1458a_100000211661_100000751147 [0,1,0,0,0,1|2,0,0]=4 4722 B14R1.34 CSCCC(=O)Cc1cccc(c1)I 1458a_100000174002_100011218688 [0,1,0,0,0,1|2,0,0]=4 4723 B14R1.34 CSCCC(=O)Cc1cccc(c1)I 1458a_100000238430_100000751147 [0,1,0,0,0,1|2,0,0]=4 4724 B14R1.34 CSCCC(=O)Cc1cccc(c1)O 1458a_100000174002_100011660834 [0,1,0,0,0,1|2,0,0]=4 4725 B14R1.34 CSCCC(=O)Cc1cccc(c1)O 1458a_100000745134_100000751147 [0,1,0,0,0,1|2,0,0]=4 4726 B14R1.34 CSCCC(=O)Nc1cccc(c1)Br 11a_100000210019_100000174002 [0,1,0,0,0,1|2,0,0]=4 4727 B14R1.34 CSCCC(=O)Nc1cccc(c1)Br 1626a_100000210019_100000174002 [0,1,0,0,0,1|2,0,0]=4 4728 B14R1.34 CSCCC(=O)Nc1cccc(c1)Br 22a_100000210019_100000174002 [0,1,0,0,0,1|2,0,0]=4 4729 B14R1.34 CSCCC(=O)Nc1cccc(c1)Br 527a_100000210019_100000174002 [0,1,0,0,0,1|2,0,0]=4 4730 B14R1.34 CSCCC(=O)Nc1cccc(c1)C 11a_100000188690_100000174002 [0,1,0,0,0,1|2,0,0]=4 4731 B14R1.34 CSCCC(=O)Nc1cccc(c1)C 1626a_100000188690_100000174002 [0,1,0,0,0,1|2,0,0]=4 4732 B14R1.34 CSCCC(=O)Nc1cccc(c1)C 22a_100000188690_100000174002 [0,1,0,0,0,1|2,0,0]=4 4733 B14R1.34 CSCCC(=O)Nc1cccc(c1)C 527a_100000188690_100000174002 [0,1,0,0,0,1|2,0,0]=4 4734 B14R1.34 CSCCC(=O)Nc1cccc(c1)C 62a_200000210301_100011194834 [0,1,0,0,0,1|2,0,0]=4 4735 B14R1.34 CSCCC(=O)Nc1cccc(c1)Cl 11a_100000185859_100000174002 [0,1,0,0,0,1|2,0,0]=4 4736 B14R1.34 CSCCC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000174002 [0,1,0,0,0,1|2,0,0]=4 4737 B14R1.34 CSCCC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000174002 [0,1,0,0,0,1|2,0,0]=4 4738 B14R1.34 CSCCC(=O)Nc1cccc(c1)Cl 62a_200000210301_100000242061 [0,1,0,0,0,1|2,0,0]=4 4739 B14R1.34 CSCCC(=O)Nc1cccc(c1)F 11a_100000210047_100000174002 [0,1,0,0,0,1|2,0,0]=4 4740 B14R1.34 CSCCC(=O)Nc1cccc(c1)F 1626a_100000210047_100000174002 [0,1,0,0,0,1|2,0,0]=4 4741 B14R1.34 CSCCC(=O)Nc1cccc(c1)F 22a_100000210047_100000174002 [0,1,0,0,0,1|2,0,0]=4 4742 B14R1.34 CSCCC(=O)Nc1cccc(c1)F 527a_100000210047_100000174002 [0,1,0,0,0,1|2,0,0]=4 4743 B14R1.34 CSCCC(=O)Nc1cccc(c1)F 62a_200000210301_100000242062 [0,1,0,0,0,1|2,0,0]=4 4744 B14R1.34 CSCCC(=O)Nc1cccc(c1)I 11a_100000211102_100000174002 [0,1,0,0,0,1|2,0,0]=4 4745 B14R1.34 CSCCC(=O)Nc1cccc(c1)I 1626a_100000211102_100000174002 [0,1,0,0,0,1|2,0,0]=4 4746 B14R1.34 CSCCC(=O)Nc1cccc(c1)I 22a_100000211102_100000174002 [0,1,0,0,0,1|2,0,0]=4 4747 B14R1.34 CSCCC(=O)Nc1cccc(c1)I 527a_100000211102_100000174002 [0,1,0,0,0,1|2,0,0]=4 4748 B14R1.34 CSCCC(=O)Nc1cccc(c1)O 1626a_100000210217_100000174002 [0,1,0,0,0,1|2,0,0]=4 4749 B14R1.34 CSCCC(=O)Nc1cccc(c1)O 22a_100000210217_100000174002 [0,1,0,0,0,1|2,0,0]=4 4750 B14R1.34 CSCCC(=O)Nc1cccc(c1)O 527a_100000210217_100000174002 [0,1,0,0,0,1|2,0,0]=4 4751 B14R1.34 CSCCC(=O)Nc1cccc(c1)O 62a_200000210301_200011436826 [0,1,0,0,0,1|2,0,0]=4 4752 B14R1.34 Cc1cccc(c1)CC(=O)CCCF 1458a_100011206899_100011934791 [0,1,0,0,0,1|2,0,0]=4 4753 B14R1.34 Cc1cccc(c1)CC(=O)CCCO 1458a_100011206899_100011215043 [0,1,0,0,0,1|2,0,0]=4 4754 B14R1.34 Cc1cccc(c1)CC(=O)NCCF 11a_100000724931_100011206899 [0,1,0,0,0,1|2,0,0]=4 4755 B14R1.34 Cc1cccc(c1)CC(=O)NCCF 1626a_100000724931_100011206899 [0,1,0,0,0,1|2,0,0]=4 4756 B14R1.34 Cc1cccc(c1)CC(=O)NCCF 240690a_100000724931_100011206899 [0,1,0,0,0,1|2,0,0]=4 4757 B14R1.34 Cc1cccc(c1)CC(=O)NCCF 527a_100000724931_100011206899 [0,1,0,0,0,1|2,0,0]=4 4758 B14R1.34 Cc1cccc(c1)CC(=O)NCCO 240690a_100000210304_100011206899 [0,1,0,0,0,1|2,0,0]=4 4759 B14R1.34 Cc1cccc(c1)CC(=O)NCCO 527a_100000210304_100011206899 [0,1,0,0,0,1|2,0,0]=4 4760 B14R1.34 Cc1cccc(c1)NC(=O)CCN[13CH3] 2230a_200015186421_200025704644 [0,1,0,0,0,1|2,0,0]=4 4761 B14R1.34 Cc1cccc(c1)NC(=O)CCN[13CH3] 34a_200015186421_200025704644 [0,1,0,0,0,1|2,0,0]=4 4762 B14R1.34 Cc1cccc(c1)NC(=O)CCS[13CH3] 62a_200025704644_100011194834 [0,1,0,0,0,1|2,0,0]=4 4763 B14R1.34 Cc1cccc(c1)NC(=O)NCCF 2430a_100000188690_100000724931 [0,1,0,0,0,1|2,0,0]=4 4764 B14R1.34 Cc1cccc(c1)NC(=O)NCCF 512a_100000188690_100000724931 [0,1,0,0,0,1|2,0,0]=4 4765 B14R1.34 Cc1cccc(c1)NC(=O)NCCO 2430a_100000188690_100000210304 [0,1,0,0,0,1|2,0,0]=4 4766 B14R1.34 Cc1cccc(c1)NC(=O)NCCO 512a_100000188690_100000210304 [0,1,0,0,0,1|2,0,0]=4 4767 B14R1.34 O=C(CCCF)Cc1cccc(c1)Br 1458a_100000747190_100011934791 [0,1,0,0,0,1|2,0,0]=4 4768 B14R1.34 O=C(CCCF)Cc1cccc(c1)Cl 1458a_100000749307_100011934791 [0,1,0,0,0,1|2,0,0]=4 4769 B14R1.34 O=C(CCCF)Cc1cccc(c1)F 1458a_100000211661_100011934791 [0,1,0,0,0,1|2,0,0]=4 4770 B14R1.34 O=C(CCCF)Cc1cccc(c1)I 1458a_100000238430_100011934791 [0,1,0,0,0,1|2,0,0]=4 4771 B14R1.34 O=C(CCCF)Cc1cccc(c1)O 1458a_100000745134_100011934791 [0,1,0,0,0,1|2,0,0]=4 4772 B14R1.34 O=C(CCCO)Cc1cccc(c1)Br 1458a_100000747190_100011215043 [0,1,0,0,0,1|2,0,0]=4 4773 B14R1.34 O=C(CCCO)Cc1cccc(c1)Cl 1458a_100000749307_100011215043 [0,1,0,0,0,1|2,0,0]=4 4774 B14R1.34 O=C(CCCO)Cc1cccc(c1)F 1458a_100000211661_100011215043 [0,1,0,0,0,1|2,0,0]=4 4775 B14R1.34 O=C(CCCO)Cc1cccc(c1)I 1458a_100000238430_100011215043 [0,1,0,0,0,1|2,0,0]=4 4776 B14R1.34 O=C(CCCO)Cc1cccc(c1)O 1458a_100000745134_100011215043 [0,1,0,0,0,1|2,0,0]=4 4777 B14R1.34 O=C(Cc1cccc(c1)Br)NCCF 11a_100000724931_100000747190 [0,1,0,0,0,1|2,0,0]=4 4778 B14R1.34 O=C(Cc1cccc(c1)Br)NCCF 240690a_100000724931_100000747190 [0,1,0,0,0,1|2,0,0]=4 4779 B14R1.34 O=C(Cc1cccc(c1)Br)NCCF 527a_100000724931_100000747190 [0,1,0,0,0,1|2,0,0]=4 4780 B14R1.34 O=C(Cc1cccc(c1)Br)NCCO 240690a_100000210304_100000747190 [0,1,0,0,0,1|2,0,0]=4 4781 B14R1.34 O=C(Cc1cccc(c1)Br)NCCO 527a_100000210304_100000747190 [0,1,0,0,0,1|2,0,0]=4 4782 B14R1.34 O=C(Cc1cccc(c1)Cl)NCCF 11a_100000724931_100000749307 [0,1,0,0,0,1|2,0,0]=4 4783 B14R1.34 O=C(Cc1cccc(c1)Cl)NCCF 1626a_100000724931_100000749307 [0,1,0,0,0,1|2,0,0]=4 4784 B14R1.34 O=C(Cc1cccc(c1)Cl)NCCF 240690a_100000724931_100000749307 [0,1,0,0,0,1|2,0,0]=4 4785 B14R1.34 O=C(Cc1cccc(c1)Cl)NCCF 527a_100000724931_100000749307 [0,1,0,0,0,1|2,0,0]=4 4786 B14R1.34 O=C(Cc1cccc(c1)Cl)NCCO 240690a_100000210304_100000749307 [0,1,0,0,0,1|2,0,0]=4 4787 B14R1.34 O=C(Cc1cccc(c1)Cl)NCCO 527a_100000210304_100000749307 [0,1,0,0,0,1|2,0,0]=4 4788 B14R1.34 O=C(Cc1cccc(c1)F)NCCF 11a_100000724931_100000211661 [0,1,0,0,0,1|2,0,0]=4 4789 B14R1.34 O=C(Cc1cccc(c1)F)NCCF 1626a_100000724931_100000211661 [0,1,0,0,0,1|2,0,0]=4 4790 B14R1.34 O=C(Cc1cccc(c1)F)NCCF 240690a_100000724931_100000211661 [0,1,0,0,0,1|2,0,0]=4 4791 B14R1.34 O=C(Cc1cccc(c1)F)NCCF 527a_100000724931_100000211661 [0,1,0,0,0,1|2,0,0]=4 4792 B14R1.34 O=C(Cc1cccc(c1)F)NCCO 240690a_100000210304_100000211661 [0,1,0,0,0,1|2,0,0]=4 4793 B14R1.34 O=C(Cc1cccc(c1)F)NCCO 527a_100000210304_100000211661 [0,1,0,0,0,1|2,0,0]=4 4794 B14R1.34 O=C(Cc1cccc(c1)I)NCCF 11a_100000724931_100000238430 [0,1,0,0,0,1|2,0,0]=4 4795 B14R1.34 O=C(Cc1cccc(c1)I)NCCF 1626a_100000724931_100000238430 [0,1,0,0,0,1|2,0,0]=4 4796 B14R1.34 O=C(Cc1cccc(c1)I)NCCF 240690a_100000724931_100000238430 [0,1,0,0,0,1|2,0,0]=4 4797 B14R1.34 O=C(Cc1cccc(c1)I)NCCF 527a_100000724931_100000238430 [0,1,0,0,0,1|2,0,0]=4 4798 B14R1.34 O=C(Cc1cccc(c1)I)NCCO 240690a_100000210304_100000238430 [0,1,0,0,0,1|2,0,0]=4 4799 B14R1.34 O=C(Cc1cccc(c1)I)NCCO 527a_100000210304_100000238430 [0,1,0,0,0,1|2,0,0]=4 4800 B14R1.34 O=C(Cc1cccc(c1)O)NCCF 240690a_100000724931_100000745134 [0,1,0,0,0,1|2,0,0]=4 4801 B14R1.34 O=C(Cc1cccc(c1)O)NCCF 527a_100000724931_100000745134 [0,1,0,0,0,1|2,0,0]=4 4802 B14R1.34 O=C(Cc1cccc(c1)O)NCCO 240690a_100000210304_100000745134 [0,1,0,0,0,1|2,0,0]=4 4803 B14R1.34 O=C(Cc1cccc(c1)O)NCCO 527a_100000210304_100000745134 [0,1,0,0,0,1|2,0,0]=4 4804 B14R1.34 O=C(NCCF)Nc1cccc(c1)Br 2430a_100000210019_100000724931 [0,1,0,0,0,1|2,0,0]=4 4805 B14R1.34 O=C(NCCF)Nc1cccc(c1)Br 512a_100000210019_100000724931 [0,1,0,0,0,1|2,0,0]=4 4806 B14R1.34 O=C(NCCF)Nc1cccc(c1)Cl 2430a_100000185859_100000724931 [0,1,0,0,0,1|2,0,0]=4 4807 B14R1.34 O=C(NCCF)Nc1cccc(c1)F 2430a_100000210047_100000724931 [0,1,0,0,0,1|2,0,0]=4 4808 B14R1.34 O=C(NCCF)Nc1cccc(c1)F 512a_100000210047_100000724931 [0,1,0,0,0,1|2,0,0]=4 4809 B14R1.34 O=C(NCCF)Nc1cccc(c1)I 2430a_100000211102_100000724931 [0,1,0,0,0,1|2,0,0]=4 4810 B14R1.34 O=C(NCCF)Nc1cccc(c1)I 512a_100000211102_100000724931 [0,1,0,0,0,1|2,0,0]=4 4811 B14R1.34 O=C(NCCF)Nc1cccc(c1)O 2430a_100000210217_100000724931 [0,1,0,0,0,1|2,0,0]=4 4812 B14R1.34 O=C(NCCF)Nc1cccc(c1)O 512a_100000210217_100000724931 [0,1,0,0,0,1|2,0,0]=4 4813 B14R1.34 O=C(NCCO)Nc1cccc(c1)Br 2430a_100000210019_100000210304 [0,1,0,0,0,1|2,0,0]=4 4814 B14R1.34 O=C(NCCO)Nc1cccc(c1)Br 512a_100000210019_100000210304 [0,1,0,0,0,1|2,0,0]=4 4815 B14R1.34 O=C(NCCO)Nc1cccc(c1)Cl 2430a_100000185859_100000210304 [0,1,0,0,0,1|2,0,0]=4 4816 B14R1.34 O=C(NCCO)Nc1cccc(c1)F 2430a_100000210047_100000210304 [0,1,0,0,0,1|2,0,0]=4 4817 B14R1.34 O=C(NCCO)Nc1cccc(c1)F 512a_100000210047_100000210304 [0,1,0,0,0,1|2,0,0]=4 4818 B14R1.34 O=C(NCCO)Nc1cccc(c1)I 2430a_100000211102_100000210304 [0,1,0,0,0,1|2,0,0]=4 4819 B14R1.34 O=C(NCCO)Nc1cccc(c1)I 512a_100000211102_100000210304 [0,1,0,0,0,1|2,0,0]=4 4820 B14R1.34 O=C(NCCO)Nc1cccc(c1)O 2430a_100000210217_100000210304 [0,1,0,0,0,1|2,0,0]=4 4821 B14R1.34 O=C(NCCO)Nc1cccc(c1)O 512a_100000210217_100000210304 [0,1,0,0,0,1|2,0,0]=4 4822 B14R1.34 [13CH3]NCCC(=O)Nc1cccc(c1)F 2230a_100015185233_200025704644 [0,1,0,0,0,1|2,0,0]=4 4823 B14R1.34 [13CH3]NCCC(=O)Nc1cccc(c1)F 34a_100015185233_200025704644 [0,1,0,0,0,1|2,0,0]=4 4824 B14R1.34 [13CH3]SCCC(=O)Nc1cccc(c1)Cl 62a_200025704644_100000242061 [0,1,0,0,0,1|2,0,0]=4 4825 B14R1.34 [13CH3]SCCC(=O)Nc1cccc(c1)F 62a_200025704644_100000242062 [0,1,0,0,0,1|2,0,0]=4 4826 B14R1.34 [13CH3]SCCC(=O)Nc1cccc(c1)O 62a_200025704644_200011436826 [0,1,0,0,0,1|2,0,0]=4 4827 B14R1.60 CC/C=C(\C)/C(=O)Cc1ccccc1 1458a_100016988807_100015291786 [0,1,0,0,0,1|1,0,1]=4 4828 B14R1.60 CC/C=C(\C)/C(=O)Nc1ccccc1 11a_100000106764_100016988807 [0,1,0,0,0,1|1,0,1]=4 4829 B14R1.60 CC/C=C(\C)/C(=O)Nc1ccccc1 1626a_100000106764_100016988807 [0,1,0,0,0,1|1,0,1]=4 4830 B14R1.60 CC/C=C(\C)/C(=O)Nc1ccccc1 22a_100000106764_100016988807 [0,1,0,0,0,1|1,0,1]=4 4831 B14R1.60 CC/C=C(\C)/C(=O)Nc1ccccc1 527a_100000106764_100016988807 [0,1,0,0,0,1|1,0,1]=4 4832 B14R1.60 CCCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000210303 [0,1,0,0,0,1|2,0,0]=4 4833 B14R1.60 CCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000210303 [0,1,0,0,0,1|2,0,0]=4 4834 B14R1.60 CCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000210303 [0,1,0,0,0,1|2,0,0]=4 4835 B14R1.60 CCCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100000210303 [0,1,0,0,0,1|1,0,0]=3 4836 B14R1.60 CCCC(C)C(=O)C[n+]1ccccc1 1458a_200000086051_100000766640 [0,1,0,0,0,1|2,0,0]=4 4837 B14R1.60 CCCC(C)C(=O)Cc1ccccc1 1458a_100000210906_100015291786 [0,1,0,0,0,1|1,0,0]=3 4838 B14R1.60 CCCC(C)C(=O)Cc1ccccn1 1458a_100000210906_100000721315 [0,1,0,0,0,1|2,0,0]=4 4839 B14R1.60 CCCC(C)C(=O)Cc1ccccn1 1458a_100000233486_100000766640 [0,1,0,0,0,1|2,0,0]=4 4840 B14R1.60 CCCC(C)C(=O)Cc1cccnc1 1458a_100000210906_100000733263 [0,1,0,0,0,1|2,0,0]=4 4841 B14R1.60 CCCC(C)C(=O)Cc1cccnc1 1458a_100000737805_100000766640 [0,1,0,0,0,1|2,0,0]=4 4842 B14R1.60 CCCC(C)C(=O)Cc1ccncc1 1458a_100000210906_100000705612 [0,1,0,0,0,1|2,0,0]=4 4843 B14R1.60 CCCC(C)C(=O)Nc1ccccc1 11a_100000106764_100000210906 [0,1,0,0,0,1|1,0,0]=3 4844 B14R1.60 CCCC(C)C(=O)Nc1ccccc1 1626a_100000106764_100000210906 [0,1,0,0,0,1|1,0,0]=3 4845 B14R1.60 CCCC(C)C(=O)Nc1ccccc1 22a_100000106764_100000210906 [0,1,0,0,0,1|1,0,0]=3 4846 B14R1.60 CCCC(C)C(=O)Nc1ccccc1 527a_100000106764_100000210906 [0,1,0,0,0,1|1,0,0]=3 4847 B14R1.60 CCCN(C)C(=O)C[n+]1ccccc1 11a_100000747261_200000086051 [0,1,0,0,0,1|2,0,0]=4 4848 B14R1.60 CCCN(C)C(=O)C[n+]1ccccc1 240690a_100000747261_200000086051 [0,1,0,0,0,1|2,0,0]=4 4849 B14R1.60 CCCN(C)C(=O)C[n+]1ccccc1 527a_100000747261_200000086051 [0,1,0,0,0,1|2,0,0]=4 4850 B14R1.60 CCCN(C)C(=O)Cc1ccccn1 11a_100000747261_100000233486 [0,1,0,0,0,1|2,0,0]=4 4851 B14R1.60 CCCN(C)C(=O)Cc1cccnc1 11a_100000747261_100000737805 [0,1,0,0,0,1|2,0,0]=4 4852 B14R1.60 CCCN(C)C(=O)Cc1cccnc1 240690a_100000747261_100000737805 [0,1,0,0,0,1|2,0,0]=4 4853 B14R1.60 CCCN(C)C(=O)Cc1cccnc1 527a_100000747261_100000737805 [0,1,0,0,0,1|2,0,0]=4 4854 B14R1.60 CCCN(C)C(=O)Cc1ccncc1 11a_100000747261_100011201483 [0,1,0,0,0,1|2,0,0]=4 4855 B14R1.60 CCCN(C)C(=O)Cc1ccncc1 240690a_100000747261_100011201483 [0,1,0,0,0,1|2,0,0]=4 4856 B14R1.60 CCCN(C)C(=O)Nc1ccccc1 2430a_100000106764_100000747261 [0,1,0,0,0,1|1,0,0]=3 4857 B14R1.60 CCC[C@H](O)C(=O)Cc1ccccc1 1458a_100009822183_100015291786 [0,1,0,0,0,1|1,0,0]=3 4858 B14R1.60 CCC[C@H](O)C(=O)Cc1ccccn1 1458a_100009822183_100000721315 [0,1,0,0,0,1|2,0,0]=4 4859 B14R1.60 CCC[C@H](O)C(=O)Cc1cccnc1 1458a_100009822183_100000733263 [0,1,0,0,0,1|2,0,0]=4 4860 B14R1.60 CCC[C@H](O)C(=O)Cc1ccncc1 1458a_100009822183_100000705612 [0,1,0,0,0,1|2,0,0]=4 4861 B14R1.60 CCC[C@H](O)C(=O)Nc1ccccc1 22a_100000106764_100009822183 [0,1,0,0,0,1|1,0,0]=3 4862 B14R1.60 CCNC(=O)C(=O)Cc1ccccc1 1458a_200011297158_100015291786 [0,1,0,0,0,1|2,0,0]=4 4863 B14R1.60 CCNC(=O)C(=O)Nc1ccccc1 1626a_100000106764_200011297158 [0,1,0,0,0,1|2,0,0]=4 4864 B14R1.60 CCNC(=O)C(=O)Nc1ccccc1 22a_100000106764_200011297158 [0,1,0,0,0,1|2,0,0]=4 4865 B14R1.60 CCNC(=O)C(=O)Nc1ccccc1 240690a_100015525214_100000738435 [0,1,0,0,0,1|2,0,0]=4 4866 B14R1.60 CCNC(=O)C(=O)Nc1ccccc1 527a_100000106764_200011297158 [0,1,0,0,0,1|2,0,0]=4 4867 B14R1.60 CCNC(C)C(=O)Nc1ccccc1 2230a_100000754830_100000210202 [0,1,0,0,0,1|2,0,0]=4 4868 B14R1.60 CCNC(C)C(=O)Nc1ccccc1 2230a_100015525214_100000183986 [0,1,0,0,0,1|2,0,0]=4 4869 B14R1.60 CCNC(C)C(=O)Nc1ccccc1 34a_100000754830_100000210202 [0,1,0,0,0,1|2,0,0]=4 4870 B14R1.60 CCOC(=O)C(=O)Nc1ccccc1 11a_100000106764_100014798877 [0,1,0,0,0,1|2,0,0]=4 4871 B14R1.60 CCOC(=O)C(=O)Nc1ccccc1 1626a_100000106764_100014798877 [0,1,0,0,0,1|2,0,0]=4 4872 B14R1.60 CCOC(C)C(=O)Cc1ccccc1 1458a_100000739345_100015291786 [0,1,0,0,0,1|2,0,0]=4 4873 B14R1.60 CCOC(C)C(=O)Nc1ccccc1 11a_100000106764_100000739345 [0,1,0,0,0,1|2,0,0]=4 4874 B14R1.60 CCOC(C)C(=O)Nc1ccccc1 1626a_100000106764_100000739345 [0,1,0,0,0,1|2,0,0]=4 4875 B14R1.60 CCOC(C)C(=O)Nc1ccccc1 22a_100000106764_100000739345 [0,1,0,0,0,1|2,0,0]=4 4876 B14R1.60 CCOC(C)C(=O)Nc1ccccc1 34a_100121572206_100000183986 [0,1,0,0,0,1|2,0,0]=4 4877 B14R1.60 CCOC(C)C(=O)Nc1ccccc1 527a_100000106764_100000739345 [0,1,0,0,0,1|2,0,0]=4 4878 B14R1.60 CCSC(C)C(=O)Cc1ccccc1 1458a_100000230601_100015291786 [0,1,0,0,0,1|2,0,0]=4 4879 B14R1.60 CCSC(C)C(=O)Nc1ccccc1 11a_100000106764_100000230601 [0,1,0,0,0,1|2,0,0]=4 4880 B14R1.60 CCSC(C)C(=O)Nc1ccccc1 1626a_100000106764_100000230601 [0,1,0,0,0,1|2,0,0]=4 4881 B14R1.60 CCSC(C)C(=O)Nc1ccccc1 22a_100000106764_100000230601 [0,1,0,0,0,1|2,0,0]=4 4882 B14R1.60 CCSC(C)C(=O)Nc1ccccc1 527a_100000106764_100000230601 [0,1,0,0,0,1|2,0,0]=4 4883 B14R1.60 CCSC(C)C(=O)Nc1ccccc1 62a_100000183986_100000210202 [0,1,0,0,0,1|2,0,0]=4 4884 B14R1.60 CCSC(C)C(=O)Nc1ccccc1 62a_100000210202_100000183986 [0,1,0,0,0,1|2,0,0]=4 4885 B14R1.60 CN(CCO)C(=O)Nc1ccccc1 2430a_100000106764_100000210263 [0,1,0,0,0,1|2,0,0]=4 4886 B14R1.60 COCC(C)C(=O)Cc1ccccc1 1458a_100000751857_100015291786 [0,1,0,0,0,1|2,0,0]=4 4887 B14R1.60 COCC(C)C(=O)Nc1ccccc1 11a_100000106764_100000751857 [0,1,0,0,0,1|2,0,0]=4 4888 B14R1.60 COCC(C)C(=O)Nc1ccccc1 1626a_100000106764_100000751857 [0,1,0,0,0,1|2,0,0]=4 4889 B14R1.60 COCC(C)C(=O)Nc1ccccc1 22a_100000106764_100000751857 [0,1,0,0,0,1|2,0,0]=4 4890 B14R1.60 COCC(C)C(=O)Nc1ccccc1 527a_100000106764_100000751857 [0,1,0,0,0,1|2,0,0]=4 4891 B14R1.60 CSCC(C)C(=O)Cc1ccccc1 1458a_100000753918_100015291786 [0,1,0,0,0,1|2,0,0]=4 4892 B14R1.60 CSCC(C)C(=O)Nc1ccccc1 11a_100000106764_100000753918 [0,1,0,0,0,1|2,0,0]=4 4893 B14R1.60 CSCC(C)C(=O)Nc1ccccc1 1626a_100000106764_100000753918 [0,1,0,0,0,1|2,0,0]=4 4894 B14R1.60 CSCC(C)C(=O)Nc1ccccc1 22a_100000106764_100000753918 [0,1,0,0,0,1|2,0,0]=4 4895 B14R1.60 CSCC(C)C(=O)Nc1ccccc1 527a_100000106764_100000753918 [0,1,0,0,0,1|2,0,0]=4 4896 B14R1.60 O=C(CCF)C(=O)Nc1ccccc1 1458a_100000738435_100011217306 [0,1,0,0,0,1|2,0,0]=4 4897 B14R1.60 O=C(CCO)C(=O)Nc1ccccc1 1458a_100000738435_100000211926 [0,1,0,0,0,1|2,0,0]=4 4898 B14R1.158 C#CCCCC(=O)Cc1ccccc1 1458a_100000690238_100015291786 [0,1,0,0,0,1|1,0,1]=4 4899 B14R1.158 C#CCCCC(=O)Nc1ccccc1 11a_100000106764_100000690238 [0,1,0,0,0,1|1,0,1]=4 4900 B14R1.158 C#CCCCC(=O)Nc1ccccc1 1626a_100000106764_100000690238 [0,1,0,0,0,1|1,0,1]=4 4901 B14R1.158 C#CCCCC(=O)Nc1ccccc1 22a_100000106764_100000690238 [0,1,0,0,0,1|1,0,1]=4 4902 B14R1.158 C#CCCCC(=O)Nc1ccccc1 527a_100000106764_100000690238 [0,1,0,0,0,1|1,0,1]=4 4903 B14R1.158 C#CCCNC(=O)Nc1ccccc1 2430a_100000106764_100000755551 [0,1,0,0,0,1|1,0,1]=4 4904 B14R1.158 C#CCOCC(=O)Cc1ccccc1 1458a_100011251226_100015291786 [0,1,0,0,0,1|0,0,2]=4 4905 B14R1.158 C#CCOCC(=O)Nc1ccccc1 11a_100000106764_100011251226 [0,1,0,0,0,1|0,0,2]=4 4906 B14R1.158 C#CCOCC(=O)Nc1ccccc1 1626a_100000106764_100011251226 [0,1,0,0,0,1|0,0,2]=4 4907 B14R1.158 C#CCOCC(=O)Nc1ccccc1 22a_100000106764_100011251226 [0,1,0,0,0,1|0,0,2]=4 4908 B14R1.158 C#CCOCC(=O)Nc1ccccc1 34a_100000210247_100000182850 [0,1,0,0,0,1|0,0,2]=4 4909 B14R1.158 C#CCOCC(=O)Nc1ccccc1 34a_100000246334_100000184674 [0,1,0,0,0,1|0,0,2]=4 4910 B14R1.158 C#CCOCC(=O)Nc1ccccc1 527a_100000106764_100011251226 [0,1,0,0,0,1|0,0,2]=4 4911 B14R1.158 C#CCOCC(=O)Oc1ccccc1 34a_100000210247_100009813826 [0,1,0,0,0,1|0,0,2]=4 4912 B14R1.158 C/C(=C\c1ccccc1)/COCCF 34a_200025717232_100011217306 [0,1,0,0,0,1|2,0,0]=4 4913 B14R1.158 C/C(=C\c1ccccc1)/COCCF 7a_200025717232_100011217306 [0,1,0,0,0,1|2,0,0]=4 4914 B14R1.158 C/C(=C\c1ccccc1)/COCCO 34a_200025717232_100000211926 [0,1,0,0,0,1|2,0,0]=4 4915 B14R1.158 C/C(=C\c1ccccc1)/COCCO 7a_200025717232_100000211926 [0,1,0,0,0,1|2,0,0]=4 4916 B14R1.158 C=CCCCC(=O)Cc1ccccc1 1458a_100000766728_100015291786 [0,1,0,0,0,1|1,0,1]=4 4917 B14R1.158 C=CCCCC(=O)Nc1ccccc1 11a_100000106764_100000766728 [0,1,0,0,0,1|1,0,1]=4 4918 B14R1.158 C=CCCCC(=O)Nc1ccccc1 1626a_100000106764_100000766728 [0,1,0,0,0,1|1,0,1]=4 4919 B14R1.158 C=CCCCC(=O)Nc1ccccc1 22a_100000106764_100000766728 [0,1,0,0,0,1|1,0,1]=4 4920 B14R1.158 C=CCCCC(=O)Nc1ccccc1 527a_100000106764_100000766728 [0,1,0,0,0,1|1,0,1]=4 4921 B14R1.158 C=CCCNC(=O)Nc1ccccc1 2430a_100000106764_100015191253 [0,1,0,0,0,1|1,0,1]=4 4922 B14R1.158 C=CCOCC(=O)Nc1ccccc1 34a_100000246334_100015514636 [0,1,0,0,0,1|0,0,2]=4 4923 B14R1.158 C=CCOCC(=O)Nc1ccccc1 34a_200000210373_100000182850 [0,1,0,0,0,1|0,0,2]=4 4924 B14R1.158 C=CCOCC(=O)Oc1ccccc1 34a_200000210373_100009813826 [0,1,0,0,0,1|0,0,2]=4 4925 B14R1.158 CC#CCNC(=O)Nc1ccccc1 2430a_100000106764_100000685387 [0,1,0,0,0,1|1,0,1]=4 4926 B14R1.158 CC(Cc1ccccc1)OCCCBr 34a_100011217188_200011218536 [0,1,0,0,0,1|1,0,1]=4 4927 B14R1.158 CC(Cc1ccccc1)OCCCCl 34a_100000230001_200011218536 [0,1,0,0,0,1|1,0,1]=4 4928 B14R1.158 CC(Cc1ccccc1)OCCCF 34a_100000748627_100011934791 [0,1,0,0,0,1|1,0,1]=4 4929 B14R1.158 CC(Cc1ccccc1)OCCCF 34a_100000759539_200011218536 [0,1,0,0,0,1|1,0,1]=4 4930 B14R1.158 CC(Cc1ccccc1)OCCCF 7a_100000748627_100011934791 [0,1,0,0,0,1|1,0,1]=4 4931 B14R1.158 CC(Cc1ccccc1)OCCCN 34a_100000182051_200011218536 [0,1,0,0,0,1|1,0,1]=4 4932 B14R1.158 CC(Cc1ccccc1)OCCCO 34a_100000748627_100000230001 [0,1,0,0,0,1|1,0,1]=4 4933 B14R1.158 CC(Cc1ccccc1)OCCCO 7a_100000748627_100011215043 [0,1,0,0,0,1|1,0,1]=4 4934 B14R1.158 CC/C=C/CC(=O)Cc1ccccc1 1458a_100016274230_100015291786 [0,1,0,0,0,1|1,0,1]=4 4935 B14R1.158 CC/C=C/CC(=O)Nc1ccccc1 11a_100000106764_100016274230 [0,1,0,0,0,1|1,0,1]=4 4936 B14R1.158 CC/C=C/CC(=O)Nc1ccccc1 1626a_100000106764_100016274230 [0,1,0,0,0,1|1,0,1]=4 4937 B14R1.158 CC/C=C/CC(=O)Nc1ccccc1 22a_100000106764_100016274230 [0,1,0,0,0,1|1,0,1]=4 4938 B14R1.158 CC/C=C/CC(=O)Nc1ccccc1 527a_100000106764_100016274230 [0,1,0,0,0,1|1,0,1]=4 4939 B14R1.158 CCC=NNC(=O)Cc1ccccc1 4a_100000182964_100000210100 [0,1,0,0,0,1|1,0,1]=4 4940 B14R1.158 CCCC#CC(=O)Cc1ccccc1 1458a_200011218047_100015291786 [0,1,0,0,0,1|1,0,0]=3 4941 B14R1.158 CCCC#CC(=O)Cc1ccccn1 1458a_200011218047_100000721315 [0,1,0,0,0,1|2,0,0]=4 4942 B14R1.158 CCCC#CC(=O)Cc1cccnc1 1458a_200011218047_100000733263 [0,1,0,0,0,1|2,0,0]=4 4943 B14R1.158 CCCC#CC(=O)Cc1ccncc1 1458a_200011218047_100000705612 [0,1,0,0,0,1|2,0,0]=4 4944 B14R1.158 CCCC#CC(=O)Nc1ccccc1 22a_100000106764_200011218047 [0,1,0,0,0,1|1,0,0]=3 4945 B14R1.158 CCCC=CC(=O)Cc1ccccc1 1458a_100000212230_100015291786 [0,1,0,0,0,1|1,0,0]=3 4946 B14R1.158 CCCC=CC(=O)Cc1ccccn1 1458a_100000212230_100000721315 [0,1,0,0,0,1|2,0,0]=4 4947 B14R1.158 CCCC=CC(=O)Cc1cccnc1 1458a_100000212230_100000733263 [0,1,0,0,0,1|2,0,0]=4 4948 B14R1.158 CCCC=CC(=O)Cc1ccncc1 1458a_100000212230_100000705612 [0,1,0,0,0,1|2,0,0]=4 4949 B14R1.158 CCCC=CC(=O)Nc1ccccc1 11a_100000106764_100000212230 [0,1,0,0,0,1|1,0,0]=3 4950 B14R1.158 CCCC=CC(=O)Nc1ccccc1 1626a_100000106764_100000212230 [0,1,0,0,0,1|1,0,0]=3 4951 B14R1.158 CCCC=CC(=O)Nc1ccccc1 22a_100000106764_100000212230 [0,1,0,0,0,1|1,0,0]=3 4952 B14R1.158 CCCCCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210326 [0,1,0,0,0,1|2,0,0]=4 4953 B14R1.158 CCCCCC(=O)Cc1ccccc1 1458a_100000212188_100015291786 [0,1,0,0,0,1|1,0,0]=3 4954 B14R1.158 CCCCCC(=O)Cc1ccccn1 1458a_100000212188_100000721315 [0,1,0,0,0,1|2,0,0]=4 4955 B14R1.158 CCCCCC(=O)Cc1ccccn1 1458a_100000233486_100000210326 [0,1,0,0,0,1|2,0,0]=4 4956 B14R1.158 CCCCCC(=O)Cc1cccnc1 1458a_100000212188_100000733263 [0,1,0,0,0,1|2,0,0]=4 4957 B14R1.158 CCCCCC(=O)Cc1cccnc1 1458a_100000737805_100000210326 [0,1,0,0,0,1|2,0,0]=4 4958 B14R1.158 CCCCCC(=O)Cc1ccncc1 1458a_100000212188_100000705612 [0,1,0,0,0,1|2,0,0]=4 4959 B14R1.158 CCCCCC(=O)Nc1ccccc1 11a_100000106764_100000212188 [0,1,0,0,0,1|1,0,0]=3 4960 B14R1.158 CCCCCC(=O)Nc1ccccc1 1626a_100000106764_100000212188 [0,1,0,0,0,1|1,0,0]=3 4961 B14R1.158 CCCCCC(=O)Nc1ccccc1 22a_100000106764_100000212188 [0,1,0,0,0,1|1,0,0]=3 4962 B14R1.158 CCCCCC(=O)Nc1ccccc1 527a_100000106764_100000212188 [0,1,0,0,0,1|1,0,0]=3 4963 B14R1.158 CCCCNC(=O)C[n+]1ccccc1 11a_100000102301_200000086051 [0,1,0,0,0,1|2,0,0]=4 4964 B14R1.158 CCCCNC(=O)C[n+]1ccccc1 240690a_100000102301_200000086051 [0,1,0,0,0,1|2,0,0]=4 4965 B14R1.158 CCCCNC(=O)C[n+]1ccccc1 527a_100000102301_200000086051 [0,1,0,0,0,1|2,0,0]=4 4966 B14R1.158 CCCCNC(=O)Cc1ccccn1 11a_100000102301_100000233486 [0,1,0,0,0,1|2,0,0]=4 4967 B14R1.158 CCCCNC(=O)Cc1cccnc1 11a_100000102301_100000737805 [0,1,0,0,0,1|2,0,0]=4 4968 B14R1.158 CCCCNC(=O)Cc1cccnc1 240690a_100000102301_100000737805 [0,1,0,0,0,1|2,0,0]=4 4969 B14R1.158 CCCCNC(=O)Cc1cccnc1 527a_100000102301_100000737805 [0,1,0,0,0,1|2,0,0]=4 4970 B14R1.158 CCCCNC(=O)Cc1ccncc1 11a_100000102301_100011201483 [0,1,0,0,0,1|2,0,0]=4 4971 B14R1.158 CCCCNC(=O)Cc1ccncc1 240690a_100000102301_100011201483 [0,1,0,0,0,1|2,0,0]=4 4972 B14R1.158 CCCCNC(=O)Nc1ccccc1 2430a_100000106764_100000102301 [0,1,0,0,0,1|1,0,0]=3 4973 B14R1.158 CCCCOC(C)Cc1ccccc1 34a_100000210227_200011218536 [0,1,0,0,0,1|1,0,1]=4 4974 B14R1.158 CCCCOC(C)Cc1ccccc1 34a_100000748627_100000210210 [0,1,0,0,0,1|1,0,1]=4 4975 B14R1.158 CCCCOC(C)Cc1ccccc1 7a_100000210227_200011218536 [0,1,0,0,0,1|1,0,1]=4 4976 B14R1.158 CCCCOC(C)Cc1ccccc1 7a_100000748627_100000210211 [0,1,0,0,0,1|1,0,1]=4 4977 B14R1.158 CCCNNC(=O)C[n+]1ccccc1 22a_100000740057_200000086051 [0,1,0,0,0,1|2,0,0]=4 4978 B14R1.158 CCCNNC(=O)Cc1ccccn1 22a_100000740057_100000233486 [0,1,0,0,0,1|2,0,0]=4 4979 B14R1.158 CCCNNC(=O)Cc1cccnc1 22a_100000740057_100000737805 [0,1,0,0,0,1|2,0,0]=4 4980 B14R1.158 CCCNNC(=O)Cc1ccncc1 22a_100000740057_100011201483 [0,1,0,0,0,1|2,0,0]=4 4981 B14R1.158 CCCOC/C(=C/c1ccccc1)/C 34a_200025717232_100000210303 [0,1,0,0,0,1|1,0,0]=3 4982 B14R1.158 CCCOC/C(=C/c1ccccc1)/C 7a_200025717232_100000210303 [0,1,0,0,0,1|1,0,0]=3 4983 B14R1.158 CCCOCC(=O)Cc1ccccc1 1458a_100000745993_100015291786 [0,1,0,0,0,1|0,0,0]=2 4984 B14R1.158 CCCOCC(=O)Cc1ccccn1 1458a_100000745993_100000721315 [0,1,0,0,0,1|1,0,0]=3 4985 B14R1.158 CCCOCC(=O)Cc1cccnc1 1458a_100000745993_100000733263 [0,1,0,0,0,1|1,0,0]=3 4986 B14R1.158 CCCOCC(=O)Cc1cccnn1 1458a_100000745993_100016990269 [0,1,0,0,0,1|2,0,0]=4 4987 B14R1.158 CCCOCC(=O)Cc1ccncc1 1458a_100000745993_100000705612 [0,1,0,0,0,1|1,0,0]=3 4988 B14R1.158 CCCOCC(=O)Cc1cnccn1 1458a_100000745993_100016995436 [0,1,0,0,0,1|2,0,0]=4 4989 B14R1.158 CCCOCC(=O)Cc1cncnc1 1458a_100000745993_100015196519 [0,1,0,0,0,1|2,0,0]=4 4990 B14R1.158 CCCOCC(=O)Cc1ncccn1 1458a_100000745993_100000703007 [0,1,0,0,0,1|2,0,0]=4 4991 B14R1.158 CCCOCC(=O)Nc1ccccc1 11a_100000106764_100000745993 [0,1,0,0,0,1|0,0,0]=2 4992 B14R1.158 CCCOCC(=O)Nc1ccccc1 1626a_100000106764_100000745993 [0,1,0,0,0,1|0,0,0]=2 4993 B14R1.158 CCCOCC(=O)Nc1ccccc1 22a_100000106764_100000745993 [0,1,0,0,0,1|0,0,0]=2 4994 B14R1.158 CCCOCC(=O)Nc1ccccc1 34a_100000210258_100000182850 [0,1,0,0,0,1|0,0,0]=2 4995 B14R1.158 CCCOCC(=O)Nc1ccccc1 34a_100000246334_100000210303 [0,1,0,0,0,1|0,0,0]=2 4996 B14R1.158 CCCOCC(=O)Nc1ccccc1 527a_100000106764_100000745993 [0,1,0,0,0,1|0,0,0]=2 4997 B14R1.158 CCCOCC(=O)Oc1ccccc1 34a_100000210258_100009813826 [0,1,0,0,0,1|0,0,0]=2 4998 B14R1.158 CCCOCC(C)Cc1ccccc1 34a_100012125295_100000210303 [0,1,0,0,0,1|1,0,1]=4 4999 B14R1.158 CCCOCC(C)Cc1ccccc1 7a_100012125295_100000210303 [0,1,0,0,0,1|1,0,1]=4 5000 B14R1.158 CCCOCC(C)Oc1ccccc1 34a_200000036796_100000210303 [0,1,0,0,0,1|1,0,1]=4 5001 B14R1.158 CCCOCC(C)Oc1ccccc1 7a_200000036796_100000210303 [0,1,0,0,0,1|1,0,1]=4 5002 B14R1.158 CCCOCC(N)Cc1ccccc1 34a_100000739027_100000210303 [0,1,0,0,0,1|1,0,1]=4 5003 B14R1.158 CCCOC[C@@H](O)Cc1ccccc1 34a_100000210258_100000729385 [0,1,0,0,0,1|0,0,2]=4 5004 B14R1.158 CCCSCC(=O)Cc1ccccc1 1458a_100000217233_100015291786 [0,1,0,0,0,1|0,1,0]=3 5005 B14R1.158 CCCSCC(=O)Cc1ccccc1 62a_100000210303_100000233483 [0,1,0,0,0,1|0,1,0]=3 5006 B14R1.158 CCCSCC(=O)Cc1ccccc1 62a_100000233483_100000210303 [0,1,0,0,0,1|0,1,0]=3 5007 B14R1.158 CCCSCC(=O)Cc1ccccn1 1458a_100000217233_100000721315 [0,1,0,0,0,1|1,1,0]=4 5008 B14R1.158 CCCSCC(=O)Cc1cccnc1 1458a_100000217233_100000733263 [0,1,0,0,0,1|1,1,0]=4 5009 B14R1.158 CCCSCC(=O)Cc1ccncc1 1458a_100000217233_100000705612 [0,1,0,0,0,1|1,1,0]=4 5010 B14R1.158 CCCSCC(=O)Nc1ccccc1 11a_100000106764_100000217233 [0,1,0,0,0,1|0,1,0]=3 5011 B14R1.158 CCCSCC(=O)Nc1ccccc1 1626a_100000106764_100000217233 [0,1,0,0,0,1|0,1,0]=3 5012 B14R1.158 CCCSCC(=O)Nc1ccccc1 22a_100000106764_100000217233 [0,1,0,0,0,1|0,1,0]=3 5013 B14R1.158 CCCSCC(=O)Nc1ccccc1 527a_100000106764_100000217233 [0,1,0,0,0,1|0,1,0]=3 5014 B14R1.158 CCCSCC(=O)Nc1ccccc1 62a_100000210303_100000182850 [0,1,0,0,0,1|0,1,0]=3 5015 B14R1.158 CCCSCC(=O)Nc1ccccc1 62a_100012148978_100000210303 [0,1,0,0,0,1|0,1,0]=3 5016 B14R1.158 CCCSCC(=O)Nc1ccccn1 62a_100000210303_100020662008 [0,1,0,0,0,1|1,1,0]=4 5017 B14R1.158 CCCSCC(=O)Nc1ccccn1 62a_100020662008_100000210303 [0,1,0,0,0,1|1,1,0]=4 5018 B14R1.158 CCCSCC(=O)Nc1ccncc1 62a_100000210303_100000754145 [0,1,0,0,0,1|1,1,0]=4 5019 B14R1.158 CCCSCC(=O)Oc1ccccc1 62a_100000210303_100009813826 [0,1,0,0,0,1|0,1,0]=3 5020 B14R1.158 CCCSCC(=O)Oc1ccccc1 62a_100009813826_100000210303 [0,1,0,0,0,1|0,1,0]=3 5021 B14R1.158 CCNCCC(=O)Nc1ccccc1 2230a_100015525214_100000242058 [0,1,0,0,0,1|1,0,0]=3 5022 B14R1.158 CCNCCC(=O)Nc1cccnc1 2230a_100015525214_200015187043 [0,1,0,0,0,1|2,0,0]=4 5023 B14R1.158 CCNCCC(=O)Nc1cccnc1 34a_100000748795_100000210202 [0,1,0,0,0,1|2,0,0]=4 5024 B14R1.158 CCNCCC(=O)Oc1ccccc1 2230a_100015525214_200000035796 [0,1,0,0,0,1|1,0,0]=3 5025 B14R1.158 CCOC=CC(=O)Cc1ccccc1 1458a_100016266692_100015291786 [0,1,0,0,0,1|1,0,1]=4 5026 B14R1.158 CCOC=CC(=O)Nc1ccccc1 11a_100000106764_100016266692 [0,1,0,0,0,1|1,0,1]=4 5027 B14R1.158 CCOC=CC(=O)Nc1ccccc1 1626a_100000106764_100016266692 [0,1,0,0,0,1|1,0,1]=4 5028 B14R1.158 CCOC=CC(=O)Nc1ccccc1 22a_100000106764_100016266692 [0,1,0,0,0,1|1,0,1]=4 5029 B14R1.158 CCOCCC(=O)C[n+]1ccccc1 1458a_200000086051_100011215890 [0,1,0,0,0,1|2,0,0]=4 5030 B14R1.158 CCOCCC(=O)Cc1ccccc1 1458a_100000749530_100015291786 [0,1,0,0,0,1|1,0,0]=3 5031 B14R1.158 CCOCCC(=O)Cc1ccccn1 1458a_100000233486_100011215890 [0,1,0,0,0,1|2,0,0]=4 5032 B14R1.158 CCOCCC(=O)Cc1ccccn1 1458a_100000749530_100000721315 [0,1,0,0,0,1|2,0,0]=4 5033 B14R1.158 CCOCCC(=O)Cc1cccnc1 1458a_100000737805_100011215890 [0,1,0,0,0,1|2,0,0]=4 5034 B14R1.158 CCOCCC(=O)Cc1cccnc1 1458a_100000749530_100000733263 [0,1,0,0,0,1|2,0,0]=4 5035 B14R1.158 CCOCCC(=O)Cc1ccncc1 1458a_100000749530_100000705612 [0,1,0,0,0,1|2,0,0]=4 5036 B14R1.158 CCOCCC(=O)Nc1ccccc1 11a_100000106764_100000749530 [0,1,0,0,0,1|1,0,0]=3 5037 B14R1.158 CCOCCC(=O)Nc1ccccc1 1626a_100000106764_100000749530 [0,1,0,0,0,1|1,0,0]=3 5038 B14R1.158 CCOCCC(=O)Nc1ccccc1 22a_100000106764_100000749530 [0,1,0,0,0,1|1,0,0]=3 5039 B14R1.158 CCOCCC(=O)Nc1ccccc1 34a_100121572206_100000242058 [0,1,0,0,0,1|1,0,0]=3 5040 B14R1.158 CCOCCC(=O)Nc1ccccc1 527a_100000106764_100000749530 [0,1,0,0,0,1|1,0,0]=3 5041 B14R1.158 CCSCCC(=O)C[n+]1ccccc1 1458a_200000086051_100000757381 [0,1,0,0,0,1|2,0,0]=4 5042 B14R1.158 CCSCCC(=O)Cc1ccccc1 1458a_100000230768_100015291786 [0,1,0,0,0,1|1,0,0]=3 5043 B14R1.158 CCSCCC(=O)Cc1ccccn1 1458a_100000230768_100000721315 [0,1,0,0,0,1|2,0,0]=4 5044 B14R1.158 CCSCCC(=O)Cc1ccccn1 1458a_100000233486_100000757381 [0,1,0,0,0,1|2,0,0]=4 5045 B14R1.158 CCSCCC(=O)Cc1cccnc1 1458a_100000230768_100000733263 [0,1,0,0,0,1|2,0,0]=4 5046 B14R1.158 CCSCCC(=O)Cc1cccnc1 1458a_100000737805_100000757381 [0,1,0,0,0,1|2,0,0]=4 5047 B14R1.158 CCSCCC(=O)Cc1ccncc1 1458a_100000230768_100000705612 [0,1,0,0,0,1|2,0,0]=4 5048 B14R1.158 CCSCCC(=O)Nc1ccccc1 11a_100000106764_100000230768 [0,1,0,0,0,1|1,0,0]=3 5049 B14R1.158 CCSCCC(=O)Nc1ccccc1 1626a_100000106764_100000230768 [0,1,0,0,0,1|1,0,0]=3 5050 B14R1.158 CCSCCC(=O)Nc1ccccc1 22a_100000106764_100000230768 [0,1,0,0,0,1|1,0,0]=3 5051 B14R1.158 CCSCCC(=O)Nc1ccccc1 527a_100000106764_100000230768 [0,1,0,0,0,1|1,0,0]=3 5052 B14R1.158 CCSCCC(=O)Nc1ccccc1 62a_100000210202_100000242058 [0,1,0,0,0,1|1,0,0]=3 5053 B14R1.158 CCSCCC(=O)Nc1cccnc1 62a_100000210202_200015187043 [0,1,0,0,0,1|2,0,0]=4 5054 B14R1.158 CCSCCC(=O)Oc1ccccc1 62a_100000210202_200000035796 [0,1,0,0,0,1|1,0,0]=3 5055 B14R1.158 CNCCCC(=O)Nc1ccccc1 2230a_106832991635_100011194425 [0,1,0,0,0,1|1,0,0]=3 5056 B14R1.158 CNCCCC(=O)Nc1ccccc1 34a_100000750157_200000210301 [0,1,0,0,0,1|1,0,0]=3 5057 B14R1.158 CNCCCC(=O)Nc1ccccc1 34a_100102657272_100011194425 [0,1,0,0,0,1|1,0,0]=3 5058 B14R1.158 CNCCCC(=O)Nc1ccccc1 7a_106832991635_100011194425 [0,1,0,0,0,1|1,0,0]=3 5059 B14R1.158 COCC=CC(=O)Cc1ccccc1 1458a_100016285016_100015291786 [0,1,0,0,0,1|1,0,1]=4 5060 B14R1.158 COCC=CC(=O)Nc1ccccc1 11a_100000106764_100016285016 [0,1,0,0,0,1|1,0,1]=4 5061 B14R1.158 COCC=CC(=O)Nc1ccccc1 1626a_100000106764_100016285016 [0,1,0,0,0,1|1,0,1]=4 5062 B14R1.158 COCC=CC(=O)Nc1ccccc1 22a_100000106764_100016285016 [0,1,0,0,0,1|1,0,1]=4 5063 B14R1.158 COCCCC(=O)C[n+]1ccccc1 1458a_200000086051_100000740836 [0,1,0,0,0,1|2,0,0]=4 5064 B14R1.158 COCCCC(=O)Cc1ccccc1 1458a_100000741012_100015291786 [0,1,0,0,0,1|1,0,0]=3 5065 B14R1.158 COCCCC(=O)Cc1ccccn1 1458a_100000233486_100000740836 [0,1,0,0,0,1|2,0,0]=4 5066 B14R1.158 COCCCC(=O)Cc1ccccn1 1458a_100000741012_100000721315 [0,1,0,0,0,1|2,0,0]=4 5067 B14R1.158 COCCCC(=O)Cc1cccnc1 1458a_100000737805_100000740836 [0,1,0,0,0,1|2,0,0]=4 5068 B14R1.158 COCCCC(=O)Cc1cccnc1 1458a_100000741012_100000733263 [0,1,0,0,0,1|2,0,0]=4 5069 B14R1.158 COCCCC(=O)Cc1ccncc1 1458a_100000741012_100000705612 [0,1,0,0,0,1|2,0,0]=4 5070 B14R1.158 COCCCC(=O)Nc1ccccc1 11a_100000106764_100000741012 [0,1,0,0,0,1|1,0,0]=3 5071 B14R1.158 COCCCC(=O)Nc1ccccc1 1626a_100000106764_100000741012 [0,1,0,0,0,1|1,0,0]=3 5072 B14R1.158 COCCCC(=O)Nc1ccccc1 22a_100000106764_100000741012 [0,1,0,0,0,1|1,0,0]=3 5073 B14R1.158 COCCCC(=O)Nc1ccccc1 34a_100138415774_100011194425 [0,1,0,0,0,1|1,0,0]=3 5074 B14R1.158 COCCCC(=O)Nc1ccccc1 527a_100000106764_100000741012 [0,1,0,0,0,1|1,0,0]=3 5075 B14R1.158 COCCNC(=O)C[n+]1ccccc1 240690a_100000209980_200000086051 [0,1,0,0,0,1|2,0,0]=4 5076 B14R1.158 COCCNC(=O)C[n+]1ccccc1 527a_100000209980_200000086051 [0,1,0,0,0,1|2,0,0]=4 5077 B14R1.158 COCCNC(=O)Cc1cccnc1 240690a_100000209980_100000737805 [0,1,0,0,0,1|2,0,0]=4 5078 B14R1.158 COCCNC(=O)Cc1cccnc1 527a_100000209980_100000737805 [0,1,0,0,0,1|2,0,0]=4 5079 B14R1.158 COCCNC(=O)Cc1ccncc1 240690a_100000209980_100011201483 [0,1,0,0,0,1|2,0,0]=4 5080 B14R1.158 COCCNC(=O)Nc1ccccc1 2430a_100000106764_100000209980 [0,1,0,0,0,1|1,0,0]=3 5081 B14R1.158 COCCOC(C)Cc1ccccc1 34a_100000210237_200011218536 [0,1,0,0,0,1|1,0,1]=4 5082 B14R1.158 COCCOC(C)Cc1ccccc1 34a_100000748627_100011201679 [0,1,0,0,0,1|1,0,1]=4 5083 B14R1.158 COCCOC(C)Cc1ccccc1 7a_100000748627_100000233755 [0,1,0,0,0,1|1,0,1]=4 5084 B14R1.158 COCSCC(=O)Cc1ccccc1 62a_100000233483_100000766300 [0,1,0,0,0,1|1,1,0]=4 5085 B14R1.158 COCSCC(=O)Cc1ccccc1 62a_100000766300_100000233483 [0,1,0,0,0,1|1,1,0]=4 5086 B14R1.158 COCSCC(=O)Nc1ccccc1 62a_100000766300_100000182850 [0,1,0,0,0,1|1,1,0]=4 5087 B14R1.158 COCSCC(=O)Nc1ccccc1 62a_100012148978_100000766300 [0,1,0,0,0,1|1,1,0]=4 5088 B14R1.158 COCSCC(=O)Oc1ccccc1 62a_100000766300_100009813826 [0,1,0,0,0,1|1,1,0]=4 5089 B14R1.158 COCSCC(=O)Oc1ccccc1 62a_100009813826_100000766300 [0,1,0,0,0,1|1,1,0]=4 5090 B14R1.158 CSCCCC(=O)Cc1ccccc1 1458a_100000173376_100015291786 [0,1,0,0,0,1|1,0,0]=3 5091 B14R1.158 CSCCCC(=O)Cc1ccccn1 1458a_100000173376_100000721315 [0,1,0,0,0,1|2,0,0]=4 5092 B14R1.158 CSCCCC(=O)Cc1cccnc1 1458a_100000173376_100000733263 [0,1,0,0,0,1|2,0,0]=4 5093 B14R1.158 CSCCCC(=O)Cc1ccncc1 1458a_100000173376_100000705612 [0,1,0,0,0,1|2,0,0]=4 5094 B14R1.158 CSCCCC(=O)Nc1ccccc1 11a_100000106764_100000173376 [0,1,0,0,0,1|1,0,0]=3 5095 B14R1.158 CSCCCC(=O)Nc1ccccc1 1626a_100000106764_100000173376 [0,1,0,0,0,1|1,0,0]=3 5096 B14R1.158 CSCCCC(=O)Nc1ccccc1 22a_100000106764_100000173376 [0,1,0,0,0,1|1,0,0]=3 5097 B14R1.158 CSCCCC(=O)Nc1ccccc1 527a_100000106764_100000173376 [0,1,0,0,0,1|1,0,0]=3 5098 B14R1.158 CSCCCC(=O)Nc1ccccc1 62a_200000210301_100011194425 [0,1,0,0,0,1|1,0,0]=3 5099 B14R1.158 CSCCNC(=O)C[n+]1ccccc1 11a_100020590264_200000086051 [0,1,0,0,0,1|2,0,0]=4 5100 B14R1.158 CSCCNC(=O)C[n+]1ccccc1 240690a_100020590264_200000086051 [0,1,0,0,0,1|2,0,0]=4 5101 B14R1.158 CSCCNC(=O)C[n+]1ccccc1 527a_100020590264_200000086051 [0,1,0,0,0,1|2,0,0]=4 5102 B14R1.158 CSCCNC(=O)Cc1ccccn1 11a_100020590264_100000233486 [0,1,0,0,0,1|2,0,0]=4 5103 B14R1.158 CSCCNC(=O)Cc1cccnc1 11a_100020590264_100000737805 [0,1,0,0,0,1|2,0,0]=4 5104 B14R1.158 CSCCNC(=O)Cc1cccnc1 240690a_100020590264_100000737805 [0,1,0,0,0,1|2,0,0]=4 5105 B14R1.158 CSCCNC(=O)Cc1cccnc1 527a_100020590264_100000737805 [0,1,0,0,0,1|2,0,0]=4 5106 B14R1.158 CSCCNC(=O)Cc1ccncc1 11a_100020590264_100011201483 [0,1,0,0,0,1|2,0,0]=4 5107 B14R1.158 CSCCNC(=O)Cc1ccncc1 240690a_100020590264_100011201483 [0,1,0,0,0,1|2,0,0]=4 5108 B14R1.158 CSCCNC(=O)Nc1ccccc1 2430a_100000106764_100020590264 [0,1,0,0,0,1|1,0,0]=3 5109 B14R1.158 CSCCOC(C)Cc1ccccc1 34a_100000230434_200011218536 [0,1,0,0,0,1|1,0,1]=4 5110 B14R1.158 CSCCOC(C)Cc1ccccc1 34a_100000748627_100000212216 [0,1,0,0,0,1|1,0,1]=4 5111 B14R1.158 CSCCOC(C)Cc1ccccc1 7a_100000230434_200011218536 [0,1,0,0,0,1|1,0,1]=4 5112 B14R1.158 CSCCOC(C)Cc1ccccc1 7a_100000748627_100000212216 [0,1,0,0,0,1|1,0,1]=4 5113 B14R1.158 CSCOC/C(=C/c1ccccc1)/C 34a_200025717232_100011218213 [0,1,0,0,0,1|2,0,0]=4 5114 B14R1.158 CSCOCC(=O)Nc1ccccc1 34a_100000246334_100011218213 [0,1,0,0,0,1|1,0,0]=3 5115 B14R1.158 CSCSCC(=O)Cc1ccccc1 62a_100000233483_100011218213 [0,1,0,0,0,1|1,1,0]=4 5116 B14R1.158 CSCSCC(=O)Cc1ccccc1 62a_100011218213_100000233483 [0,1,0,0,0,1|1,1,0]=4 5117 B14R1.158 CSCSCC(=O)Nc1ccccc1 62a_100011218213_100000182850 [0,1,0,0,0,1|1,1,0]=4 5118 B14R1.158 CSCSCC(=O)Nc1ccccc1 62a_100012148978_100011218213 [0,1,0,0,0,1|1,1,0]=4 5119 B14R1.158 CSCSCC(=O)Oc1ccccc1 62a_100009813826_100011218213 [0,1,0,0,0,1|1,1,0]=4 5120 B14R1.158 CSCSCC(=O)Oc1ccccc1 62a_100011218213_100009813826 [0,1,0,0,0,1|1,1,0]=4 5121 B14R1.158 N#CCCCC(=O)Cc1ccccc1 1458a_100000075515_100015291786 [0,1,0,0,0,1|1,0,1]=4 5122 B14R1.158 N#CCCCC(=O)Nc1ccccc1 11a_100000106764_100000075515 [0,1,0,0,0,1|1,0,1]=4 5123 B14R1.158 N#CCCCC(=O)Nc1ccccc1 1626a_100000106764_100000075515 [0,1,0,0,0,1|1,0,1]=4 5124 B14R1.158 N#CCCCC(=O)Nc1ccccc1 22a_100000106764_100000075515 [0,1,0,0,0,1|1,0,1]=4 5125 B14R1.158 N#CCCCC(=O)Nc1ccccc1 527a_100000106764_100000075515 [0,1,0,0,0,1|1,0,1]=4 5126 B14R1.158 N#CCCNC(=O)Nc1ccccc1 2430a_100000106764_100000720768 [0,1,0,0,0,1|1,0,1]=4 5127 B14R1.158 NCCOCC(=O)Nc1ccccc1 34a_100000210304_100000182850 [0,1,0,0,0,1|1,0,0]=3 5128 B14R1.158 NCCOCC(=O)Oc1ccccc1 34a_100000210304_100009813826 [0,1,0,0,0,1|1,0,0]=3 5129 B14R1.158 O=C(CCCCF)C[n+]1ccccc1 1458a_200000086051_100000729493 [0,1,0,0,0,1|2,0,0]=4 5130 B14R1.158 O=C(CCCCF)Cc1ccccn1 1458a_100000233486_100000729493 [0,1,0,0,0,1|2,0,0]=4 5131 B14R1.158 O=C(CCCCF)Cc1cccnc1 1458a_100000737805_100000729493 [0,1,0,0,0,1|2,0,0]=4 5132 B14R1.158 O=C(CCCCO)C[n+]1ccccc1 1458a_200000086051_100000210776 [0,1,0,0,0,1|2,0,0]=4 5133 B14R1.158 O=C(CCCCO)Cc1ccccc1 1458a_100000695505_100015291786 [0,1,0,0,0,1|1,0,0]=3 5134 B14R1.158 O=C(CCCCO)Cc1ccccn1 1458a_100000233486_100000210776 [0,1,0,0,0,1|2,0,0]=4 5135 B14R1.158 O=C(CCCCO)Cc1ccccn1 1458a_100000695505_100000721315 [0,1,0,0,0,1|2,0,0]=4 5136 B14R1.158 O=C(CCCCO)Cc1cccnc1 1458a_100000695505_100000733263 [0,1,0,0,0,1|2,0,0]=4 5137 B14R1.158 O=C(CCCCO)Cc1cccnc1 1458a_100000737805_100000210776 [0,1,0,0,0,1|2,0,0]=4 5138 B14R1.158 O=C(CCCCO)Cc1ccncc1 1458a_100000695505_100000705612 [0,1,0,0,0,1|2,0,0]=4 5139 B14R1.158 O=C(CCCCO)Nc1ccccc1 1626a_100000106764_100000695505 [0,1,0,0,0,1|1,0,0]=3 5140 B14R1.158 O=C(CCSCF)Nc1ccccc1 62a_100015361967_100000242058 [0,1,0,0,0,1|2,0,0]=4 5141 B14R1.158 O=C(CCSCF)Oc1ccccc1 62a_100015361967_200000035796 [0,1,0,0,0,1|2,0,0]=4 5142 B14R1.158 O=C(CNCCF)Nc1ccccc1 34a_100000724931_100000182850 [0,1,0,0,0,1|2,0,0]=4 5143 B14R1.158 O=C(CNCCF)Oc1ccccc1 34a_100000724931_100009813826 [0,1,0,0,0,1|2,0,0]=4 5144 B14R1.158 O=C(CNCCO)Cc1ccccc1 2230a_100016997473_100000233483 [0,1,0,0,0,1|2,0,0]=4 5145 B14R1.158 O=C(CNCCO)Nc1ccccc1 2230a_100016997473_100000182850 [0,1,0,0,0,1|2,0,0]=4 5146 B14R1.158 O=C(CNCCO)Nc1ccccc1 34a_100016990907_100000182850 [0,1,0,0,0,1|2,0,0]=4 5147 B14R1.158 O=C(CNCCO)Oc1ccccc1 2230a_100016997473_100009813826 [0,1,0,0,0,1|2,0,0]=4 5148 B14R1.158 O=C(CNCCO)Oc1ccccc1 34a_100016990907_100009813826 [0,1,0,0,0,1|2,0,0]=4 5149 B14R1.158 O=C(COCCBr)Nc1ccccc1 34a_100000211926_100000182850 [0,1,0,0,0,1|1,0,0]=3 5150 B14R1.158 O=C(COCCBr)Oc1ccccc1 34a_100000211926_100009813826 [0,1,0,0,0,1|1,0,0]=3 5151 B14R1.158 O=C(COCCF)Nc1ccccc1 34a_100000246334_100011217306 [0,1,0,0,0,1|1,0,0]=3 5152 B14R1.158 O=C(COCCO)Cc1ccccc1 1458a_100000708028_100015291786 [0,1,0,0,0,1|1,0,0]=3 5153 B14R1.158 O=C(COCCO)Cc1ccccn1 1458a_100000708028_100000721315 [0,1,0,0,0,1|2,0,0]=4 5154 B14R1.158 O=C(COCCO)Cc1cccnc1 1458a_100000708028_100000733263 [0,1,0,0,0,1|2,0,0]=4 5155 B14R1.158 O=C(COCCO)Cc1ccncc1 1458a_100000708028_100000705612 [0,1,0,0,0,1|2,0,0]=4 5156 B14R1.158 O=C(COCCO)Nc1ccccc1 1626a_100000106764_100000708028 [0,1,0,0,0,1|1,0,0]=3 5157 B14R1.158 O=C(COCCO)Nc1ccccc1 34a_100000246334_100000211926 [0,1,0,0,0,1|1,0,0]=3 5158 B14R1.158 O=C(CSCCF)Cc1ccccc1 62a_100000233483_100011217306 [0,1,0,0,0,1|1,1,0]=4 5159 B14R1.158 O=C(CSCCF)Cc1ccccc1 62a_100011217306_100000233483 [0,1,0,0,0,1|1,1,0]=4 5160 B14R1.158 O=C(CSCCF)Nc1ccccc1 62a_100011217306_100000182850 [0,1,0,0,0,1|1,1,0]=4 5161 B14R1.158 O=C(CSCCF)Nc1ccccc1 62a_100012148978_100011217306 [0,1,0,0,0,1|1,1,0]=4 5162 B14R1.158 O=C(CSCCF)Oc1ccccc1 62a_100009813826_100011217306 [0,1,0,0,0,1|1,1,0]=4 5163 B14R1.158 O=C(CSCCF)Oc1ccccc1 62a_100011217306_100009813826 [0,1,0,0,0,1|1,1,0]=4 5164 B14R1.158 O=C(CSCCO)Cc1ccccc1 62a_100000211926_100000233483 [0,1,0,0,0,1|1,1,0]=4 5165 B14R1.158 O=C(CSCCO)Cc1ccccc1 62a_100000233483_100000211926 [0,1,0,0,0,1|1,1,0]=4 5166 B14R1.158 O=C(CSCCO)Nc1ccccc1 62a_100000211926_100000182850 [0,1,0,0,0,1|1,1,0]=4 5167 B14R1.158 O=C(CSCCO)Nc1ccccc1 62a_100012148978_100000211926 [0,1,0,0,0,1|1,1,0]=4 5168 B14R1.158 O=C(CSCCO)Oc1ccccc1 62a_100000211926_100009813826 [0,1,0,0,0,1|1,1,0]=4 5169 B14R1.158 O=C(CSCCO)Oc1ccccc1 62a_100009813826_100000211926 [0,1,0,0,0,1|1,1,0]=4 5170 B14R1.158 O=C(C[n+]1ccccc1)NCCCF 11a_100015189416_200000086051 [0,1,0,0,0,1|2,0,0]=4 5171 B14R1.158 O=C(C[n+]1ccccc1)NCCCF 240690a_100015189416_200000086051 [0,1,0,0,0,1|2,0,0]=4 5172 B14R1.158 O=C(C[n+]1ccccc1)NCCCF 527a_100015189416_200000086051 [0,1,0,0,0,1|2,0,0]=4 5173 B14R1.158 O=C(C[n+]1ccccc1)NCCCO 240690a_100000182051_200000086051 [0,1,0,0,0,1|2,0,0]=4 5174 B14R1.158 O=C(C[n+]1ccccc1)NCCCO 527a_100000182051_200000086051 [0,1,0,0,0,1|2,0,0]=4 5175 B14R1.158 O=C(Cc1ccccn1)NCCCF 11a_100015189416_100000233486 [0,1,0,0,0,1|2,0,0]=4 5176 B14R1.158 O=C(Cc1cccnc1)NCCCF 11a_100015189416_100000737805 [0,1,0,0,0,1|2,0,0]=4 5177 B14R1.158 O=C(Cc1cccnc1)NCCCF 240690a_100015189416_100000737805 [0,1,0,0,0,1|2,0,0]=4 5178 B14R1.158 O=C(Cc1cccnc1)NCCCF 527a_100015189416_100000737805 [0,1,0,0,0,1|2,0,0]=4 5179 B14R1.158 O=C(Cc1cccnc1)NCCCO 240690a_100000182051_100000737805 [0,1,0,0,0,1|2,0,0]=4 5180 B14R1.158 O=C(Cc1cccnc1)NCCCO 527a_100000182051_100000737805 [0,1,0,0,0,1|2,0,0]=4 5181 B14R1.158 O=C(Cc1ccncc1)NCCCF 11a_100015189416_100011201483 [0,1,0,0,0,1|2,0,0]=4 5182 B14R1.158 O=C(Cc1ccncc1)NCCCF 240690a_100015189416_100011201483 [0,1,0,0,0,1|2,0,0]=4 5183 B14R1.158 O=C(Cc1ccncc1)NCCCO 240690a_100000182051_100011201483 [0,1,0,0,0,1|2,0,0]=4 5184 B14R1.158 O=C(NCCCF)Nc1ccccc1 2430a_100000106764_100015189416 [0,1,0,0,0,1|1,0,0]=3 5185 B14R1.158 O=C(NCCCO)Nc1ccccc1 2430a_100000106764_100000182051 [0,1,0,0,0,1|1,0,0]=3 5186 B14R1.158 O=CCOCC(=O)Nc1ccccc1 34a_100000246334_200009817547 [0,1,0,0,0,1|1,0,1]=4 5187 B14R1.158 [13CH3]NCCCC(=O)Nc1ccccc1 34a_100000750157_200025704644 [0,1,0,0,0,1|1,0,0]=3 5188 B14R1.158 [13CH3]SCCCC(=O)Nc1ccccc1 62a_200025704644_100011194425 [0,1,0,0,0,1|1,0,0]=3 5189 B14R1.166 C=C(C(=O)CCCC)c1ccccc1 1458a_100000065200_100000210211 [0,1,0,0,0,1|1,0,0]=3 5190 B14R1.166 C=C(C(=O)CCCF)c1ccccc1 1458a_100000065200_100011934791 [0,1,0,0,0,1|2,0,0]=4 5191 B14R1.166 C=C(C(=O)CCCO)c1ccccc1 1458a_100000065200_100011215043 [0,1,0,0,0,1|2,0,0]=4 5192 B14R1.166 C=C(C(=O)CCOC)c1ccccc1 1458a_100000065200_100000233755 [0,1,0,0,0,1|2,0,0]=4 5193 B14R1.166 C=C(C(=O)CCSC)c1ccccc1 1458a_100000065200_100000751147 [0,1,0,0,0,1|2,0,0]=4 5194 B14R1.166 C=C(C(=O)NCCC)c1ccccc1 1626a_100020643023_100000065200 [0,1,0,0,0,1|1,0,0]=3 5195 B14R1.166 C=C(C(=O)NCCF)c1ccccc1 1626a_100000724931_100000065200 [0,1,0,0,0,1|2,0,0]=4 5196 B14R1.166 C=C(C(=O)NNCC)c1ccccc1 22a_100000756455_100000065200 [0,1,0,0,0,1|2,0,0]=4 5197 B14R1.166 CCC#CC(=O)C(C)c1ccccc1 1458a_100011827653_100000230085 [0,1,0,0,0,1|1,0,1]=4 5198 B14R1.166 CCC#CC(=O)N(C)c1ccccc1 22a_100000210012_100011827653 [0,1,0,0,0,1|1,0,1]=4 5199 B14R1.166 CCC=CC(=O)C(C)c1ccccc1 1458a_100000212282_100000230085 [0,1,0,0,0,1|1,0,1]=4 5200 B14R1.166 CCC=CC(=O)N(C)c1ccccc1 11a_100000210012_100000212282 [0,1,0,0,0,1|1,0,1]=4 5201 B14R1.166 CCC=CC(=O)N(C)c1ccccc1 1626a_100000210012_100000212282 [0,1,0,0,0,1|1,0,1]=4 5202 B14R1.166 CCC=CC(=O)N(C)c1ccccc1 22a_100000210012_100000212282 [0,1,0,0,0,1|1,0,1]=4 5203 B14R1.166 CCCCC(=O)C(C)c1ccccc1 1458a_100000210183_100000230085 [0,1,0,0,0,1|1,0,0]=3 5204 B14R1.166 CCCCC(=O)C(C)c1ccccn1 1458a_100000722050_100000210211 [0,1,0,0,0,1|2,0,0]=4 5205 B14R1.166 CCCCC(=O)C(F)c1ccccc1 1458a_100000698975_100000210211 [0,1,0,0,0,1|1,0,0]=3 5206 B14R1.166 CCCCC(=O)N(C)c1ccccc1 11a_100000210012_100000210183 [0,1,0,0,0,1|1,0,0]=3 5207 B14R1.166 CCCCC(=O)N(C)c1ccccc1 1626a_100000210012_100000210183 [0,1,0,0,0,1|1,0,0]=3 5208 B14R1.166 CCCCC(=O)N(C)c1ccccc1 22a_100000210012_100000210183 [0,1,0,0,0,1|1,0,0]=3 5209 B14R1.166 CCCCC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000210211 [0,1,0,0,0,1|1,0,0]=3 5210 B14R1.166 CCCCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210211 [0,1,0,0,0,1|1,0,0]=3 5211 B14R1.166 CCCNC(=O)C(C)c1ccccn1 11a_100020643023_100000722050 [0,1,0,0,0,1|2,0,0]=4 5212 B14R1.166 CCCNC(=O)C(C)c1ccccn1 1626a_100020643023_100000722050 [0,1,0,0,0,1|2,0,0]=4 5213 B14R1.166 CCCNC(=O)C(C)c1ccccn1 240690a_100020643023_100000722050 [0,1,0,0,0,1|2,0,0]=4 5214 B14R1.166 CCCNC(=O)C(C)c1ccccn1 527a_100020643023_100000722050 [0,1,0,0,0,1|2,0,0]=4 5215 B14R1.166 CCCNC(=O)C(F)c1ccccc1 11a_100020643023_100000698975 [0,1,0,0,0,1|1,0,0]=3 5216 B14R1.166 CCCNC(=O)C(F)c1ccccc1 1626a_100020643023_100000698975 [0,1,0,0,0,1|1,0,0]=3 5217 B14R1.166 CCCNC(=O)C(F)c1ccccc1 240690a_100020643023_100000698975 [0,1,0,0,0,1|1,0,0]=3 5218 B14R1.166 CCCNC(=O)C(F)c1ccccc1 527a_100020643023_100000698975 [0,1,0,0,0,1|1,0,0]=3 5219 B14R1.166 CCCNC(=O)N(C)c1ccccc1 512a_100020643023_100000210012 [0,1,0,0,0,1|1,0,0]=3 5220 B14R1.166 CCCNC(=O)[C@@H](C)c1ccccc1 11a_100020643023_100000751047 [0,1,0,0,0,1|1,0,0]=3 5221 B14R1.166 CCCNC(=O)[C@@H](C)c1ccccc1 1626a_100020643023_100000751047 [0,1,0,0,0,1|1,0,0]=3 5222 B14R1.166 CCCNC(=O)[C@@H](C)c1ccccc1 240690a_100020643023_100000751047 [0,1,0,0,0,1|1,0,0]=3 5223 B14R1.166 CCCNC(=O)[C@@H](C)c1ccccc1 527a_100020643023_100000751047 [0,1,0,0,0,1|1,0,0]=3 5224 B14R1.166 CCCNC(=O)[C@H](O)c1ccccc1 240690a_100020643023_100000684486 [0,1,0,0,0,1|1,0,0]=3 5225 B14R1.166 CCCO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_100000210303 [0,1,0,0,0,1|1,0,1]=4 5226 B14R1.166 CCNCC(=O)N(C)c1ccccc1 2230a_100015525214_100000183487 [0,1,0,0,0,1|2,0,0]=4 5227 B14R1.166 CCNCC(=O)N(C)c1ccccc1 2230a_200000174886_100000210202 [0,1,0,0,0,1|2,0,0]=4 5228 B14R1.166 CCNNC(=O)C(F)c1ccccc1 22a_100000756455_100000698975 [0,1,0,0,0,1|2,0,0]=4 5229 B14R1.166 CCNNC(=O)N(C)c1ccccc1 512a_100000756455_100000210012 [0,1,0,0,0,1|2,0,0]=4 5230 B14R1.166 CCNNC(=O)[C@@H](C)c1ccccc1 22a_100000756455_100000751047 [0,1,0,0,0,1|2,0,0]=4 5231 B14R1.166 CCNNC(=O)[C@H](O)c1ccccc1 22a_100000756455_100000684486 [0,1,0,0,0,1|2,0,0]=4 5232 B14R1.166 CCOCC(=O)C(C)c1ccccc1 1458a_100000211967_100000230085 [0,1,0,0,0,1|2,0,0]=4 5233 B14R1.166 CCOCC(=O)N(C)c1ccccc1 11a_100000210012_100000211967 [0,1,0,0,0,1|2,0,0]=4 5234 B14R1.166 CCOCC(=O)N(C)c1ccccc1 1626a_100000210012_100000211967 [0,1,0,0,0,1|2,0,0]=4 5235 B14R1.166 CCOCC(=O)N(C)c1ccccc1 22a_100000210012_100000211967 [0,1,0,0,0,1|2,0,0]=4 5236 B14R1.166 CCOCC(=O)N(C)c1ccccc1 34a_100121572206_100000183487 [0,1,0,0,0,1|2,0,0]=4 5237 B14R1.166 CCSCC(=O)C(C)c1ccccc1 1458a_100000230394_100000230085 [0,1,0,0,0,1|2,0,0]=4 5238 B14R1.166 CCSCC(=O)N(C)c1ccccc1 11a_100000210012_100000230394 [0,1,0,0,0,1|2,0,0]=4 5239 B14R1.166 CCSCC(=O)N(C)c1ccccc1 1626a_100000210012_100000230394 [0,1,0,0,0,1|2,0,0]=4 5240 B14R1.166 CCSCC(=O)N(C)c1ccccc1 22a_100000210012_100000230394 [0,1,0,0,0,1|2,0,0]=4 5241 B14R1.166 CCSCC(=O)N(C)c1ccccc1 62a_100000183487_100000210202 [0,1,0,0,0,1|2,0,0]=4 5242 B14R1.166 CCSCC(=O)N(C)c1ccccc1 62a_100000210202_100000183487 [0,1,0,0,0,1|2,0,0]=4 5243 B14R1.166 CN(C(=O)CCS[13CH3])c1ccccc1 62a_100000691765_200025704644 [0,1,0,0,0,1|2,0,0]=4 5244 B14R1.166 CN(C(=O)CCS[13CH3])c1ccccc1 62a_200025704644_100000691765 [0,1,0,0,0,1|2,0,0]=4 5245 B14R1.166 CNCCC(=O)N(C)c1ccccc1 2230a_106832991635_100000691765 [0,1,0,0,0,1|2,0,0]=4 5246 B14R1.166 CNCCC(=O)N(C)c1ccccc1 34a_100102657272_100000691765 [0,1,0,0,0,1|2,0,0]=4 5247 B14R1.166 CNCCC(=O)N(C)c1ccccc1 7a_106832991635_100000691765 [0,1,0,0,0,1|2,0,0]=4 5248 B14R1.166 COCCC(=O)C(C)c1ccccc1 1458a_100000749529_100000230085 [0,1,0,0,0,1|2,0,0]=4 5249 B14R1.166 COCCC(=O)C(F)c1ccccc1 1458a_100000698975_100000233755 [0,1,0,0,0,1|2,0,0]=4 5250 B14R1.166 COCCC(=O)N(C)c1ccccc1 11a_100000210012_100000749529 [0,1,0,0,0,1|2,0,0]=4 5251 B14R1.166 COCCC(=O)N(C)c1ccccc1 1626a_100000210012_100000749529 [0,1,0,0,0,1|2,0,0]=4 5252 B14R1.166 COCCC(=O)N(C)c1ccccc1 22a_100000210012_100000749529 [0,1,0,0,0,1|2,0,0]=4 5253 B14R1.166 COCCC(=O)N(C)c1ccccc1 34a_100138415774_100000691765 [0,1,0,0,0,1|2,0,0]=4 5254 B14R1.166 COCCC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000233755 [0,1,0,0,0,1|2,0,0]=4 5255 B14R1.166 COCCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000233755 [0,1,0,0,0,1|2,0,0]=4 5256 B14R1.166 CSCCC(=O)C(C)c1ccccc1 1458a_100000174002_100000230085 [0,1,0,0,0,1|2,0,0]=4 5257 B14R1.166 CSCCC(=O)C(F)c1ccccc1 1458a_100000698975_100000751147 [0,1,0,0,0,1|2,0,0]=4 5258 B14R1.166 CSCCC(=O)N(C)c1ccccc1 11a_100000210012_100000174002 [0,1,0,0,0,1|2,0,0]=4 5259 B14R1.166 CSCCC(=O)N(C)c1ccccc1 1626a_100000210012_100000174002 [0,1,0,0,0,1|2,0,0]=4 5260 B14R1.166 CSCCC(=O)N(C)c1ccccc1 22a_100000210012_100000174002 [0,1,0,0,0,1|2,0,0]=4 5261 B14R1.166 CSCCC(=O)N(C)c1ccccc1 62a_100000691765_200000210301 [0,1,0,0,0,1|2,0,0]=4 5262 B14R1.166 CSCCC(=O)N(C)c1ccccc1 62a_200000210301_100000691765 [0,1,0,0,0,1|2,0,0]=4 5263 B14R1.166 CSCCC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000751147 [0,1,0,0,0,1|2,0,0]=4 5264 B14R1.166 CSCCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000751147 [0,1,0,0,0,1|2,0,0]=4 5265 B14R1.166 C[C@H](C(=O)CCCF)c1ccccc1 1458a_100000751047_100011934791 [0,1,0,0,0,1|2,0,0]=4 5266 B14R1.166 C[C@H](C(=O)CCCO)c1ccccc1 1458a_100000751047_100011215043 [0,1,0,0,0,1|2,0,0]=4 5267 B14R1.166 C[C@H](C(=O)NCCF)c1ccccc1 11a_100000724931_100000751047 [0,1,0,0,0,1|2,0,0]=4 5268 B14R1.166 C[C@H](C(=O)NCCF)c1ccccc1 1626a_100000724931_100000751047 [0,1,0,0,0,1|2,0,0]=4 5269 B14R1.166 C[C@H](C(=O)NCCF)c1ccccc1 240690a_100000724931_100000751047 [0,1,0,0,0,1|2,0,0]=4 5270 B14R1.166 C[C@H](C(=O)NCCF)c1ccccc1 527a_100000724931_100000751047 [0,1,0,0,0,1|2,0,0]=4 5271 B14R1.166 C[C@H](C(=O)NCCO)c1ccccc1 240690a_100000210304_100000751047 [0,1,0,0,0,1|2,0,0]=4 5272 B14R1.166 C[C@H](C(=O)NCCO)c1ccccc1 527a_100000210304_100000751047 [0,1,0,0,0,1|2,0,0]=4 5273 B14R1.166 O=C(CCCF)C(F)c1ccccc1 1458a_100000698975_100011934791 [0,1,0,0,0,1|2,0,0]=4 5274 B14R1.166 O=C(CCCF)[C@H](O)c1ccccc1 1458a_100000684486_100011934791 [0,1,0,0,0,1|2,0,0]=4 5275 B14R1.166 O=C(CCCO)C(F)c1ccccc1 1458a_100000698975_100011215043 [0,1,0,0,0,1|2,0,0]=4 5276 B14R1.166 O=C(CCCO)[C@H](O)c1ccccc1 1458a_100000684486_100011215043 [0,1,0,0,0,1|2,0,0]=4 5277 B14R1.166 O=C(NCCF)C(F)c1ccccc1 11a_100000724931_100000698975 [0,1,0,0,0,1|2,0,0]=4 5278 B14R1.166 O=C(NCCF)C(F)c1ccccc1 1626a_100000724931_100000698975 [0,1,0,0,0,1|2,0,0]=4 5279 B14R1.166 O=C(NCCF)C(F)c1ccccc1 240690a_100000724931_100000698975 [0,1,0,0,0,1|2,0,0]=4 5280 B14R1.166 O=C(NCCF)C(F)c1ccccc1 527a_100000724931_100000698975 [0,1,0,0,0,1|2,0,0]=4 5281 B14R1.166 O=C(NCCF)[C@H](O)c1ccccc1 240690a_100000724931_100000684486 [0,1,0,0,0,1|2,0,0]=4 5282 B14R1.166 O=C(NCCO)C(F)c1ccccc1 240690a_100000210304_100000698975 [0,1,0,0,0,1|2,0,0]=4 5283 B14R1.166 O=C(NCCO)C(F)c1ccccc1 527a_100000210304_100000698975 [0,1,0,0,0,1|2,0,0]=4 5284 B14R1.166 O=C(NCCO)[C@H](O)c1ccccc1 240690a_100000210304_100000684486 [0,1,0,0,0,1|2,0,0]=4 5285 B14R1.423 C=C(C)CCC(=O)Cc1ccccc1 1458a_200000688413_100015291786 [0,1,0,0,0,1|1,0,1]=4 5286 B14R1.423 C=C(C)CCC(=O)Nc1ccccc1 11a_100000106764_200000688413 [0,1,0,0,0,1|1,0,1]=4 5287 B14R1.423 C=C(C)CCC(=O)Nc1ccccc1 1626a_100000106764_200000688413 [0,1,0,0,0,1|1,0,1]=4 5288 B14R1.423 C=C(C)CCC(=O)Nc1ccccc1 22a_100000106764_200000688413 [0,1,0,0,0,1|1,0,1]=4 5289 B14R1.423 C=C(C)CCC(=O)Nc1ccccc1 527a_100000106764_200000688413 [0,1,0,0,0,1|1,0,1]=4 5290 B14R1.423 C=C(C)CNC(=O)Nc1ccccc1 2430a_100000106764_100000765925 [0,1,0,0,0,1|1,0,1]=4 5291 B14R1.423 CC(=O)CCC(=O)Nc1ccccc1 1458a_100000070787_100000242058 [0,1,0,0,0,1|1,0,1]=4 5292 B14R1.423 CC(=O)CCC(=O)Nc1ccccc1 1458a_100000180958_200000210301 [0,1,0,0,0,1|1,0,1]=4 5293 B14R1.423 CC(=O)CCC(=O)Oc1ccccc1 1458a_100000070787_200000035796 [0,1,0,0,0,1|1,0,1]=4 5294 B14R1.423 CC(=O)CNC(=O)Cc1ccccc1 1458a_100000184600_200000210301 [0,1,0,0,0,1|1,0,1]=4 5295 B14R1.423 CC(=O)CNC(=O)Nc1ccccc1 1458a_100000181911_200000210301 [0,1,0,0,0,1|1,0,1]=4 5296 B14R1.423 CC(Br)COC(C)Cc1ccccc1 34a_100012180447_200011218536 [0,1,0,0,0,1|1,0,1]=4 5297 B14R1.423 CC(C)C=CC(=O)Cc1ccccc1 1458a_100016268746_100015291786 [0,1,0,0,0,1|1,0,1]=4 5298 B14R1.423 CC(C)C=CC(=O)Nc1ccccc1 11a_100000106764_100016268746 [0,1,0,0,0,1|1,0,1]=4 5299 B14R1.423 CC(C)C=CC(=O)Nc1ccccc1 1626a_100000106764_100016268746 [0,1,0,0,0,1|1,0,1]=4 5300 B14R1.423 CC(C)C=CC(=O)Nc1ccccc1 22a_100000106764_100016268746 [0,1,0,0,0,1|1,0,1]=4 5301 B14R1.423 CC(C)CCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210312 [0,1,0,0,0,1|2,0,0]=4 5302 B14R1.423 CC(C)CCC(=O)Cc1ccccc1 1458a_100000181311_100015291786 [0,1,0,0,0,1|1,0,0]=3 5303 B14R1.423 CC(C)CCC(=O)Cc1ccccn1 1458a_100000181311_100000721315 [0,1,0,0,0,1|2,0,0]=4 5304 B14R1.423 CC(C)CCC(=O)Cc1ccccn1 1458a_100000233486_100000210312 [0,1,0,0,0,1|2,0,0]=4 5305 B14R1.423 CC(C)CCC(=O)Cc1cccnc1 1458a_100000181311_100000733263 [0,1,0,0,0,1|2,0,0]=4 5306 B14R1.423 CC(C)CCC(=O)Cc1cccnc1 1458a_100000737805_100000210312 [0,1,0,0,0,1|2,0,0]=4 5307 B14R1.423 CC(C)CCC(=O)Cc1ccncc1 1458a_100000181311_100000705612 [0,1,0,0,0,1|2,0,0]=4 5308 B14R1.423 CC(C)CCC(=O)Nc1ccccc1 11a_100000106764_100000181311 [0,1,0,0,0,1|1,0,0]=3 5309 B14R1.423 CC(C)CCC(=O)Nc1ccccc1 1626a_100000106764_100000181311 [0,1,0,0,0,1|1,0,0]=3 5310 B14R1.423 CC(C)CCC(=O)Nc1ccccc1 22a_100000106764_100000181311 [0,1,0,0,0,1|1,0,0]=3 5311 B14R1.423 CC(C)CCC(=O)Nc1ccccc1 527a_100000106764_100000181311 [0,1,0,0,0,1|1,0,0]=3 5312 B14R1.423 CC(C)CNC(=O)C[n+]1ccccc1 11a_100000210953_200000086051 [0,1,0,0,0,1|2,0,0]=4 5313 B14R1.423 CC(C)CNC(=O)C[n+]1ccccc1 240690a_100000210953_200000086051 [0,1,0,0,0,1|2,0,0]=4 5314 B14R1.423 CC(C)CNC(=O)C[n+]1ccccc1 527a_100000210953_200000086051 [0,1,0,0,0,1|2,0,0]=4 5315 B14R1.423 CC(C)CNC(=O)Cc1ccccn1 11a_100000210953_100000233486 [0,1,0,0,0,1|2,0,0]=4 5316 B14R1.423 CC(C)CNC(=O)Cc1cccnc1 11a_100000210953_100000737805 [0,1,0,0,0,1|2,0,0]=4 5317 B14R1.423 CC(C)CNC(=O)Cc1cccnc1 240690a_100000210953_100000737805 [0,1,0,0,0,1|2,0,0]=4 5318 B14R1.423 CC(C)CNC(=O)Cc1cccnc1 527a_100000210953_100000737805 [0,1,0,0,0,1|2,0,0]=4 5319 B14R1.423 CC(C)CNC(=O)Cc1ccncc1 11a_100000210953_100011201483 [0,1,0,0,0,1|2,0,0]=4 5320 B14R1.423 CC(C)CNC(=O)Cc1ccncc1 240690a_100000210953_100011201483 [0,1,0,0,0,1|2,0,0]=4 5321 B14R1.423 CC(C)CNC(=O)Nc1ccccc1 2430a_100000106764_100000210953 [0,1,0,0,0,1|1,0,0]=3 5322 B14R1.423 CC(C)COC(C)Cc1ccccc1 34a_100000210257_200011218536 [0,1,0,0,0,1|1,0,1]=4 5323 B14R1.423 CC(C)COC(C)Cc1ccccc1 34a_100000748627_100000210624 [0,1,0,0,0,1|1,0,1]=4 5324 B14R1.423 CC(C)COC(C)Cc1ccccc1 7a_100000748627_100000210760 [0,1,0,0,0,1|1,0,1]=4 5325 B14R1.423 CC(C)NCC(=O)Cc1ccccc1 2230a_100138425928_100000233483 [0,1,0,0,0,1|2,0,0]=4 5326 B14R1.423 CC(C)NCC(=O)Nc1ccccc1 2230a_100138425928_100000182850 [0,1,0,0,0,1|2,0,0]=4 5327 B14R1.423 CC(C)NCC(=O)Nc1ccccc1 34a_100138425928_100000182850 [0,1,0,0,0,1|2,0,0]=4 5328 B14R1.423 CC(C)NCC(=O)Oc1ccccc1 2230a_100138425928_100009813826 [0,1,0,0,0,1|2,0,0]=4 5329 B14R1.423 CC(C)NCC(=O)Oc1ccccc1 34a_100138425928_100009813826 [0,1,0,0,0,1|2,0,0]=4 5330 B14R1.423 CC(C)OCC(=O)Cc1ccccc1 1458a_100000745533_100015291786 [0,1,0,0,0,1|2,0,0]=4 5331 B14R1.423 CC(C)OCC(=O)Nc1ccccc1 11a_100000106764_100000745533 [0,1,0,0,0,1|2,0,0]=4 5332 B14R1.423 CC(C)OCC(=O)Nc1ccccc1 1626a_100000106764_100000745533 [0,1,0,0,0,1|2,0,0]=4 5333 B14R1.423 CC(C)OCC(=O)Nc1ccccc1 22a_100000106764_100000745533 [0,1,0,0,0,1|2,0,0]=4 5334 B14R1.423 CC(C)OCC(=O)Nc1ccccc1 34a_100000212225_100000182850 [0,1,0,0,0,1|2,0,0]=4 5335 B14R1.423 CC(C)OCC(=O)Nc1ccccc1 34a_100000246334_100000210206 [0,1,0,0,0,1|2,0,0]=4 5336 B14R1.423 CC(C)OCC(=O)Nc1ccccc1 527a_100000106764_100000745533 [0,1,0,0,0,1|2,0,0]=4 5337 B14R1.423 CC(C)OCC(=O)Oc1ccccc1 34a_100000212225_100009813826 [0,1,0,0,0,1|2,0,0]=4 5338 B14R1.423 CC(C)SCC(=O)Cc1ccccc1 1458a_100000241585_100015291786 [0,1,0,0,0,1|2,0,0]=4 5339 B14R1.423 CC(C)SCC(=O)Cc1ccccc1 62a_100000210206_100000233483 [0,1,0,0,0,1|2,0,0]=4 5340 B14R1.423 CC(C)SCC(=O)Cc1ccccc1 62a_100000233483_100000210206 [0,1,0,0,0,1|2,0,0]=4 5341 B14R1.423 CC(C)SCC(=O)Nc1ccccc1 11a_100000106764_100000241585 [0,1,0,0,0,1|2,0,0]=4 5342 B14R1.423 CC(C)SCC(=O)Nc1ccccc1 1626a_100000106764_100000241585 [0,1,0,0,0,1|2,0,0]=4 5343 B14R1.423 CC(C)SCC(=O)Nc1ccccc1 22a_100000106764_100000241585 [0,1,0,0,0,1|2,0,0]=4 5344 B14R1.423 CC(C)SCC(=O)Nc1ccccc1 527a_100000106764_100000241585 [0,1,0,0,0,1|2,0,0]=4 5345 B14R1.423 CC(C)SCC(=O)Nc1ccccc1 62a_100000210206_100000182850 [0,1,0,0,0,1|2,0,0]=4 5346 B14R1.423 CC(C)SCC(=O)Nc1ccccc1 62a_100012148978_100000210206 [0,1,0,0,0,1|2,0,0]=4 5347 B14R1.423 CC(C)SCC(=O)Oc1ccccc1 62a_100000210206_100009813826 [0,1,0,0,0,1|2,0,0]=4 5348 B14R1.423 CC(C)SCC(=O)Oc1ccccc1 62a_100009813826_100000210206 [0,1,0,0,0,1|2,0,0]=4 5349 B14R1.423 CC(Cc1ccccc1)OC[C@@H](C)Cl 34a_100016084084_200011218536 [0,1,0,0,0,1|1,0,1]=4 5350 B14R1.423 CC(Cc1ccccc1)OC[C@@H](C)N 34a_100000737577_200011218536 [0,1,0,0,0,1|1,0,1]=4 5351 B14R1.423 CC(Cc1ccccc1)OC[C@@H](C)O 34a_100000748627_100009817552 [0,1,0,0,0,1|1,0,1]=4 5352 B14R1.423 CC(Cc1ccccc1)OC[C@@H](C)O 7a_100000748627_100009817552 [0,1,0,0,0,1|1,0,1]=4 5353 B14R1.423 CC(F)COC(C)Cc1ccccc1 34a_100015925927_200011218536 [0,1,0,0,0,1|1,0,1]=4 5354 B14R1.423 CC(O)CCC(=O)C[n+]1ccccc1 1458a_200000086051_100012276601 [0,1,0,0,0,1|2,0,0]=4 5355 B14R1.423 CC(O)CCC(=O)Cc1ccccn1 1458a_100000233486_100012276601 [0,1,0,0,0,1|2,0,0]=4 5356 B14R1.423 CC(O)CCC(=O)Cc1cccnc1 1458a_100000737805_100012276601 [0,1,0,0,0,1|2,0,0]=4 5357 B14R1.423 CC(O)CCC(=O)Nc1ccccc1 1626a_100000106764_100000718519 [0,1,0,0,0,1|1,0,0]=3 5358 B14R1.423 CC(O)CNC(=O)C[n+]1ccccc1 11a_100000210904_200000086051 [0,1,0,0,0,1|2,0,0]=4 5359 B14R1.423 CC(O)CNC(=O)C[n+]1ccccc1 240690a_100000210904_200000086051 [0,1,0,0,0,1|2,0,0]=4 5360 B14R1.423 CC(O)CNC(=O)C[n+]1ccccc1 527a_100000210904_200000086051 [0,1,0,0,0,1|2,0,0]=4 5361 B14R1.423 CC(O)CNC(=O)Cc1ccccn1 11a_100000210904_100000233486 [0,1,0,0,0,1|2,0,0]=4 5362 B14R1.423 CC(O)CNC(=O)Cc1cccnc1 11a_100000210904_100000737805 [0,1,0,0,0,1|2,0,0]=4 5363 B14R1.423 CC(O)CNC(=O)Cc1cccnc1 240690a_100000210904_100000737805 [0,1,0,0,0,1|2,0,0]=4 5364 B14R1.423 CC(O)CNC(=O)Cc1cccnc1 527a_100000210904_100000737805 [0,1,0,0,0,1|2,0,0]=4 5365 B14R1.423 CC(O)CNC(=O)Cc1ccncc1 11a_100000210904_100011201483 [0,1,0,0,0,1|2,0,0]=4 5366 B14R1.423 CC(O)CNC(=O)Cc1ccncc1 240690a_100000210904_100011201483 [0,1,0,0,0,1|2,0,0]=4 5367 B14R1.423 CC(O)CNC(=O)Nc1ccccc1 2430a_100000106764_100000210904 [0,1,0,0,0,1|1,0,0]=3 5368 B14R1.423 CC(O)COC(C)Cc1ccccc1 34a_100000748627_100011218427 [0,1,0,0,0,1|1,0,1]=4 5369 B14R1.423 CC(O)COC(C)Cc1ccccc1 7a_100000748627_100011218427 [0,1,0,0,0,1|1,0,1]=4 5370 B14R1.423 CN(C)CCC(=O)Nc1ccccc1 11a_100000106764_100000689311 [0,1,0,0,0,1|2,0,0]=4 5371 B14R1.423 CN(C)CCC(=O)Nc1ccccc1 2230a_100102631434_100000242058 [0,1,0,0,0,1|2,0,0]=4 5372 B14R1.423 CN(C)CCC(=O)Nc1ccccc1 22a_100000106764_100000689311 [0,1,0,0,0,1|2,0,0]=4 5373 B14R1.423 CN(C)CCC(=O)Nc1ccccc1 269982a_100102631434_100000242058 [0,1,0,0,0,1|2,0,0]=4 5374 B14R1.423 CN(C)CCC(=O)Nc1ccccc1 527a_100000106764_100000689311 [0,1,0,0,0,1|2,0,0]=4 5375 B14R1.423 CN(C)CCC(=O)Oc1ccccc1 2230a_100102631434_200000035796 [0,1,0,0,0,1|2,0,0]=4 5376 B14R1.423 CN(C)CCC(=O)Oc1ccccc1 269982a_100102631434_200000035796 [0,1,0,0,0,1|2,0,0]=4 5377 B14R1.423 C[S+](C)CCC(=O)Cc1ccccc1 1458a_100009452791_100015291786 [0,1,0,0,0,1|2,0,0]=4 5378 B14R1.423 C[S+](C)CCC(=O)Nc1ccccc1 11a_100000106764_100009452791 [0,1,0,0,0,1|2,0,0]=4 5379 B14R1.423 C[S+](C)CCC(=O)Nc1ccccc1 1626a_100000106764_100009452791 [0,1,0,0,0,1|2,0,0]=4 5380 B14R1.423 C[S+](C)CCC(=O)Nc1ccccc1 22a_100000106764_100009452791 [0,1,0,0,0,1|2,0,0]=4 5381 B14R1.423 O=C(NCC(F)F)Nc1ccccc1 2430a_100000106764_100000765723 [0,1,0,0,0,1|2,0,0]=4 5382 B14R1.423 [13CH3]C(=O)CCC(=O)Nc1ccccc1 1458a_100000180958_200025704644 [0,1,0,0,0,1|1,0,1]=4 5383 B14R1.423 [13CH3]C(=O)CNC(=O)Cc1ccccc1 1458a_100000184600_200025704644 [0,1,0,0,0,1|1,0,1]=4 5384 B14R1.423 [13CH3]C(=O)CNC(=O)Nc1ccccc1 1458a_100000181911_200025704644 [0,1,0,0,0,1|1,0,1]=4 5385 B14R1.467 C#CC(Cc1ccccc1)OCCC 34a_100000685211_100000210303 [0,1,0,0,0,1|1,0,1]=4 5386 B14R1.467 C#CC(Cc1ccccc1)OCCC 7a_100000685211_100000210303 [0,1,0,0,0,1|1,0,1]=4 5387 B14R1.467 CCCOC(CC)Cc1ccccc1 7a_100000760156_100000210303 [0,1,0,0,0,1|1,0,1]=4 5388 B14R1.467 CCCOC(CN)Cc1ccccc1 34a_100000752270_100000210303 [0,1,0,0,0,1|1,0,1]=4 5389 B14R1.467 CCCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100000210303 [0,1,0,0,0,1|1,0,1]=4 5390 B14R1.743 CCC(=CC(=O)Cc1ccccc1)C 1458a_100020758463_100015291786 [0,1,0,0,0,1|1,0,1]=4 5391 B14R1.743 CCC(=CC(=O)Nc1ccccc1)C 11a_100000106764_100020758463 [0,1,0,0,0,1|1,0,1]=4 5392 B14R1.743 CCC(=CC(=O)Nc1ccccc1)C 1626a_100000106764_100020758463 [0,1,0,0,0,1|1,0,1]=4 5393 B14R1.743 CCC(=CC(=O)Nc1ccccc1)C 22a_100000106764_100020758463 [0,1,0,0,0,1|1,0,1]=4 5394 B14R1.743 CCC(=O)CC(=O)Cc1ccccc1 1458a_100000210414_100000233483 [0,1,0,0,0,1|1,0,1]=4 5395 B14R1.743 CCC(=O)CC(=O)Nc1ccccc1 1458a_100000210414_100000182850 [0,1,0,0,0,1|1,0,1]=4 5396 B14R1.743 CCC(=O)CC(=O)Oc1ccccc1 1458a_100000210414_100009813826 [0,1,0,0,0,1|1,0,1]=4 5397 B14R1.743 CCC(C)CC(=O)C[n+]1ccccc1 1458a_200000086051_100000748023 [0,1,0,0,0,1|2,0,0]=4 5398 B14R1.743 CCC(C)CC(=O)Cc1ccccc1 1458a_100000708755_100015291786 [0,1,0,0,0,1|1,0,0]=3 5399 B14R1.743 CCC(C)CC(=O)Cc1ccccn1 1458a_100000233486_100000748023 [0,1,0,0,0,1|2,0,0]=4 5400 B14R1.743 CCC(C)CC(=O)Cc1ccccn1 1458a_100000708755_100000721315 [0,1,0,0,0,1|2,0,0]=4 5401 B14R1.743 CCC(C)CC(=O)Cc1cccnc1 1458a_100000708755_100000733263 [0,1,0,0,0,1|2,0,0]=4 5402 B14R1.743 CCC(C)CC(=O)Cc1cccnc1 1458a_100000737805_100000748023 [0,1,0,0,0,1|2,0,0]=4 5403 B14R1.743 CCC(C)CC(=O)Cc1ccncc1 1458a_100000708755_100000705612 [0,1,0,0,0,1|2,0,0]=4 5404 B14R1.743 CCC(C)CC(=O)Nc1ccccc1 11a_100000106764_100000708755 [0,1,0,0,0,1|1,0,0]=3 5405 B14R1.743 CCC(C)CC(=O)Nc1ccccc1 1626a_100000106764_100000708755 [0,1,0,0,0,1|1,0,0]=3 5406 B14R1.743 CCC(C)CC(=O)Nc1ccccc1 22a_100000106764_100000708755 [0,1,0,0,0,1|1,0,0]=3 5407 B14R1.743 CCC(C)CC(=O)Nc1ccccc1 527a_100000106764_100000708755 [0,1,0,0,0,1|1,0,0]=3 5408 B14R1.743 CCC(C)NC(=O)C[n+]1ccccc1 11a_100000209981_200000086051 [0,1,0,0,0,1|2,0,0]=4 5409 B14R1.743 CCC(C)NC(=O)C[n+]1ccccc1 240690a_100000209981_200000086051 [0,1,0,0,0,1|2,0,0]=4 5410 B14R1.743 CCC(C)NC(=O)C[n+]1ccccc1 527a_100000209981_200000086051 [0,1,0,0,0,1|2,0,0]=4 5411 B14R1.743 CCC(C)NC(=O)Cc1ccccn1 11a_100000209981_100000233486 [0,1,0,0,0,1|2,0,0]=4 5412 B14R1.743 CCC(C)NC(=O)Cc1cccnc1 11a_100000209981_100000737805 [0,1,0,0,0,1|2,0,0]=4 5413 B14R1.743 CCC(C)NC(=O)Cc1cccnc1 240690a_100000209981_100000737805 [0,1,0,0,0,1|2,0,0]=4 5414 B14R1.743 CCC(C)NC(=O)Cc1cccnc1 527a_100000209981_100000737805 [0,1,0,0,0,1|2,0,0]=4 5415 B14R1.743 CCC(C)NC(=O)Cc1ccncc1 11a_100000209981_100011201483 [0,1,0,0,0,1|2,0,0]=4 5416 B14R1.743 CCC(C)NC(=O)Cc1ccncc1 240690a_100000209981_100011201483 [0,1,0,0,0,1|2,0,0]=4 5417 B14R1.743 CCC(C)NC(=O)Nc1ccccc1 2430a_100000106764_100000209981 [0,1,0,0,0,1|1,0,0]=3 5418 B14R1.743 CCC(C)OC(C)Cc1ccccc1 34a_100000748627_100011215416 [0,1,0,0,0,1|1,0,1]=4 5419 B14R1.743 CCC(C)OC(C)Cc1ccccc1 7a_100000210228_200011218536 [0,1,0,0,0,1|1,0,1]=4 5420 B14R1.743 CCC(C)OC(C)Cc1ccccc1 7a_100000748627_100000758301 [0,1,0,0,0,1|1,0,1]=4 5421 B14R1.743 CCC(O)CC(=O)C[n+]1ccccc1 1458a_200000086051_100011218378 [0,1,0,0,0,1|2,0,0]=4 5422 B14R1.743 CCC(O)CC(=O)Cc1ccccc1 1458a_100011667805_100015291786 [0,1,0,0,0,1|1,0,0]=3 5423 B14R1.743 CCC(O)CC(=O)Cc1ccccn1 1458a_100000233486_100011218378 [0,1,0,0,0,1|2,0,0]=4 5424 B14R1.743 CCC(O)CC(=O)Cc1ccccn1 1458a_100011667805_100000721315 [0,1,0,0,0,1|2,0,0]=4 5425 B14R1.743 CCC(O)CC(=O)Cc1cccnc1 1458a_100000737805_100011218378 [0,1,0,0,0,1|2,0,0]=4 5426 B14R1.743 CCC(O)CC(=O)Cc1cccnc1 1458a_100011667805_100000733263 [0,1,0,0,0,1|2,0,0]=4 5427 B14R1.743 CCC(O)CC(=O)Cc1ccncc1 1458a_100011667805_100000705612 [0,1,0,0,0,1|2,0,0]=4 5428 B14R1.743 CCC(O)CC(=O)Nc1ccccc1 1626a_100000106764_100011667805 [0,1,0,0,0,1|1,0,0]=3 5429 B14R1.743 CCC(O)CC(=O)Nc1ccccc1 22a_100000106764_100011667805 [0,1,0,0,0,1|1,0,0]=3 5430 B14R1.743 CCN(C)CC(=O)Cc1ccccc1 1458a_100116209913_100015291786 [0,1,0,0,0,1|2,0,0]=4 5431 B14R1.743 CCN(C)CC(=O)Cc1ccccc1 2230a_100000225621_100000233483 [0,1,0,0,0,1|2,0,0]=4 5432 B14R1.743 CCN(C)CC(=O)Cc1ccccc1 269982a_100000225621_100000233483 [0,1,0,0,0,1|2,0,0]=4 5433 B14R1.743 CCN(C)CC(=O)Nc1ccccc1 2230a_100000225621_100000182850 [0,1,0,0,0,1|2,0,0]=4 5434 B14R1.743 CCN(C)CC(=O)Nc1ccccc1 22a_100000106764_100116209913 [0,1,0,0,0,1|2,0,0]=4 5435 B14R1.743 CCN(C)CC(=O)Nc1ccccc1 269982a_100000225621_100000182850 [0,1,0,0,0,1|2,0,0]=4 5436 B14R1.743 CCN(C)CC(=O)Nc1ccccc1 527a_100000106764_100116209913 [0,1,0,0,0,1|2,0,0]=4 5437 B14R1.743 CCN(C)CC(=O)Oc1ccccc1 2230a_100000225621_100009813826 [0,1,0,0,0,1|2,0,0]=4 5438 B14R1.743 CCN(C)CC(=O)Oc1ccccc1 269982a_100000225621_100009813826 [0,1,0,0,0,1|2,0,0]=4 5439 B14R1.743 CC[C@H](C)CC(=O)C[n+]1ccccc1 1458a_200000086051_100009816398 [0,1,0,0,0,1|2,0,0]=4 5440 B14R1.743 CC[C@H](C)CC(=O)Cc1ccccn1 1458a_100000233486_100009816398 [0,1,0,0,0,1|2,0,0]=4 5441 B14R1.743 CC[C@H](C)CC(=O)Cc1cccnc1 1458a_100000737805_100009816398 [0,1,0,0,0,1|2,0,0]=4 5442 B14R1.743 C[C@H](CF)NC(=O)Nc1ccccc1 2430a_100000106764_100102880703 [0,1,0,0,0,1|2,0,0]=4 5443 B14R1.743 C[C@H](CO)NC(=O)Nc1ccccc1 2430a_100000106764_100000737577 [0,1,0,0,0,1|2,0,0]=4 5444 B14R1.946 CCC#CC(=O)Cc1ccccc1Br 1458a_100011827653_100000184730 [0,1,0,0,0,1|1,0,1]=4 5445 B14R1.946 CCC#CC(=O)Cc1ccccc1C 1458a_100011827653_100000211839 [0,1,0,0,0,1|1,0,1]=4 5446 B14R1.946 CCC#CC(=O)Cc1ccccc1Cl 1458a_100011827653_100000187162 [0,1,0,0,0,1|1,0,1]=4 5447 B14R1.946 CCC#CC(=O)Cc1ccccc1F 1458a_100011827653_100000187165 [0,1,0,0,0,1|1,0,1]=4 5448 B14R1.946 CCC#CC(=O)Cc1ccccc1I 1458a_100011827653_100011216222 [0,1,0,0,0,1|1,0,1]=4 5449 B14R1.946 CCC#CC(=O)Nc1ccccc1C 22a_100015192222_100011827653 [0,1,0,0,0,1|1,0,1]=4 5450 B14R1.946 CCC#CC(=O)Nc1ccccc1Cl 22a_100000185783_100011827653 [0,1,0,0,0,1|1,0,1]=4 5451 B14R1.946 CCC#CC(=O)Nc1ccccc1F 22a_100000210422_100011827653 [0,1,0,0,0,1|1,0,1]=4 5452 B14R1.946 CCC#CC(=O)Nc1ccccc1O 22a_100000185747_100011827653 [0,1,0,0,0,1|1,0,1]=4 5453 B14R1.946 CCC=CC(=O)Cc1ccccc1Br 1458a_100000212282_100000184730 [0,1,0,0,0,1|1,0,1]=4 5454 B14R1.946 CCC=CC(=O)Cc1ccccc1C 1458a_100000212282_100000211839 [0,1,0,0,0,1|1,0,1]=4 5455 B14R1.946 CCC=CC(=O)Cc1ccccc1Cl 1458a_100000212282_100000187162 [0,1,0,0,0,1|1,0,1]=4 5456 B14R1.946 CCC=CC(=O)Cc1ccccc1F 1458a_100000212282_100000187165 [0,1,0,0,0,1|1,0,1]=4 5457 B14R1.946 CCC=CC(=O)Cc1ccccc1I 1458a_100000212282_100011216222 [0,1,0,0,0,1|1,0,1]=4 5458 B14R1.946 CCC=CC(=O)Nc1ccccc1Br 11a_100000210017_100000212282 [0,1,0,0,0,1|1,0,1]=4 5459 B14R1.946 CCC=CC(=O)Nc1ccccc1Br 1626a_100000210017_100000212282 [0,1,0,0,0,1|1,0,1]=4 5460 B14R1.946 CCC=CC(=O)Nc1ccccc1C 11a_100015192222_100000212282 [0,1,0,0,0,1|1,0,1]=4 5461 B14R1.946 CCC=CC(=O)Nc1ccccc1C 1626a_100015192222_100000212282 [0,1,0,0,0,1|1,0,1]=4 5462 B14R1.946 CCC=CC(=O)Nc1ccccc1C 22a_100015192222_100000212282 [0,1,0,0,0,1|1,0,1]=4 5463 B14R1.946 CCC=CC(=O)Nc1ccccc1Cl 11a_100000185783_100000212282 [0,1,0,0,0,1|1,0,1]=4 5464 B14R1.946 CCC=CC(=O)Nc1ccccc1Cl 1626a_100000185783_100000212282 [0,1,0,0,0,1|1,0,1]=4 5465 B14R1.946 CCC=CC(=O)Nc1ccccc1Cl 22a_100000185783_100000212282 [0,1,0,0,0,1|1,0,1]=4 5466 B14R1.946 CCC=CC(=O)Nc1ccccc1F 11a_100000210422_100000212282 [0,1,0,0,0,1|1,0,1]=4 5467 B14R1.946 CCC=CC(=O)Nc1ccccc1F 1626a_100000210422_100000212282 [0,1,0,0,0,1|1,0,1]=4 5468 B14R1.946 CCC=CC(=O)Nc1ccccc1F 22a_100000210422_100000212282 [0,1,0,0,0,1|1,0,1]=4 5469 B14R1.946 CCC=CC(=O)Nc1ccccc1I 11a_100000210053_100000212282 [0,1,0,0,0,1|1,0,1]=4 5470 B14R1.946 CCC=CC(=O)Nc1ccccc1I 1626a_100000210053_100000212282 [0,1,0,0,0,1|1,0,1]=4 5471 B14R1.946 CCC=CC(=O)Nc1ccccc1O 22a_100000185747_100000212282 [0,1,0,0,0,1|1,0,1]=4 5472 B14R1.946 CCCCC(=Cc1ccccc1Br)Br 271570a_206741709834_100000695589 [0,1,0,0,0,1|2,0,0]=4 5473 B14R1.946 CCCCC(=Cc1ccccc1C)Br 271570a_206741709834_100000210755 [0,1,0,0,0,1|2,0,0]=4 5474 B14R1.946 CCCCC(=Cc1ccccc1Cl)Br 271570a_206741709834_100000764095 [0,1,0,0,0,1|2,0,0]=4 5475 B14R1.946 CCCCC(=Cc1ccccc1F)Br 271570a_206741709834_100011215700 [0,1,0,0,0,1|2,0,0]=4 5476 B14R1.946 CCCCC(=Cc1ccccc1N)Br 271570a_206741709834_100000210017 [0,1,0,0,0,1|2,0,0]=4 5477 B14R1.946 CCCCC(=Cc1ccccc1O)Br 271570a_206741709834_100000739446 [0,1,0,0,0,1|2,0,0]=4 5478 B14R1.946 CCCCC(=O)Cc1ccccc1Br 1458a_100000210183_100000184730 [0,1,0,0,0,1|1,0,0]=3 5479 B14R1.946 CCCCC(=O)Cc1ccccc1Br 1458a_100000751119_100000210211 [0,1,0,0,0,1|1,0,0]=3 5480 B14R1.946 CCCCC(=O)Cc1ccccc1C 1458a_100000210183_100000211839 [0,1,0,0,0,1|1,0,0]=3 5481 B14R1.946 CCCCC(=O)Cc1ccccc1C 1458a_100000212180_100000210211 [0,1,0,0,0,1|1,0,0]=3 5482 B14R1.946 CCCCC(=O)Cc1ccccc1Cl 1458a_100000183793_100000210211 [0,1,0,0,0,1|1,0,0]=3 5483 B14R1.946 CCCCC(=O)Cc1ccccc1Cl 1458a_100000210183_100000187162 [0,1,0,0,0,1|1,0,0]=3 5484 B14R1.946 CCCCC(=O)Cc1ccccc1F 1458a_100000210183_100000187165 [0,1,0,0,0,1|1,0,0]=3 5485 B14R1.946 CCCCC(=O)Cc1ccccc1F 1458a_100000212012_100000210211 [0,1,0,0,0,1|1,0,0]=3 5486 B14R1.946 CCCCC(=O)Cc1ccccc1I 1458a_100000036491_100000210211 [0,1,0,0,0,1|1,0,0]=3 5487 B14R1.946 CCCCC(=O)Cc1ccccc1I 1458a_100000210183_100011216222 [0,1,0,0,0,1|1,0,0]=3 5488 B14R1.946 CCCCC(=O)Cc1ccccc1O 1458a_100000743006_100000210211 [0,1,0,0,0,1|1,0,0]=3 5489 B14R1.946 CCCCC(=O)Cc1cccnc1Br 1458a_100000210183_100010140945 [0,1,0,0,0,1|2,0,0]=4 5490 B14R1.946 CCCCC(=O)Cc1cccnc1C 1458a_100000210183_100000732876 [0,1,0,0,0,1|2,0,0]=4 5491 B14R1.946 CCCCC(=O)Cc1cccnc1Cl 1458a_100000093521_100000210211 [0,1,0,0,0,1|2,0,0]=4 5492 B14R1.946 CCCCC(=O)Cc1cccnc1Cl 1458a_100000210183_100000045678 [0,1,0,0,0,1|2,0,0]=4 5493 B14R1.946 CCCCC(=O)Cc1cccnc1F 1458a_100000210183_100000099810 [0,1,0,0,0,1|2,0,0]=4 5494 B14R1.946 CCCCC(=O)Cc1ccncc1C 1458a_100000210183_100020672808 [0,1,0,0,0,1|2,0,0]=4 5495 B14R1.946 CCCCC(=O)Cc1ccncc1Cl 1458a_100000210183_100000763264 [0,1,0,0,0,1|2,0,0]=4 5496 B14R1.946 CCCCC(=O)Cc1cnccc1C 1458a_100000210183_100000690890 [0,1,0,0,0,1|2,0,0]=4 5497 B14R1.946 CCCCC(=O)Cc1ncccc1Br 1458a_100000210183_100025702911 [0,1,0,0,0,1|2,0,0]=4 5498 B14R1.946 CCCCC(=O)Cc1ncccc1Br 1458a_200012357574_100000210211 [0,1,0,0,0,1|2,0,0]=4 5499 B14R1.946 CCCCC(=O)Cc1ncccc1C 1458a_100000210183_100000696600 [0,1,0,0,0,1|2,0,0]=4 5500 B14R1.946 CCCCC(=O)Cc1ncccc1C 1458a_200000722269_100000210211 [0,1,0,0,0,1|2,0,0]=4 5501 B14R1.946 CCCCC(=O)Cc1ncccc1Cl 1458a_100000210183_100000099807 [0,1,0,0,0,1|2,0,0]=4 5502 B14R1.946 CCCCC(=O)Cc1ncccc1Cl 1458a_100011998755_100000210211 [0,1,0,0,0,1|2,0,0]=4 5503 B14R1.946 CCCCC(=O)Cc1ncccc1F 1458a_100000210183_100000104219 [0,1,0,0,0,1|2,0,0]=4 5504 B14R1.946 CCCCC(=O)Cc1ncccc1O 1458a_100000210183_200020655725 [0,1,0,0,0,1|2,0,0]=4 5505 B14R1.946 CCCCC(=O)Cn1ccccc1=O 1458a_100000189665_100000210211 [0,1,0,0,0,1|2,0,0]=4 5506 B14R1.946 CCCCC(=O)Nc1ccccc1Br 11a_100000210017_100000210183 [0,1,0,0,0,1|1,0,0]=3 5507 B14R1.946 CCCCC(=O)Nc1ccccc1Br 1626a_100000210017_100000210183 [0,1,0,0,0,1|1,0,0]=3 5508 B14R1.946 CCCCC(=O)Nc1ccccc1C 11a_100015192222_100000210183 [0,1,0,0,0,1|1,0,0]=3 5509 B14R1.946 CCCCC(=O)Nc1ccccc1C 1626a_100015192222_100000210183 [0,1,0,0,0,1|1,0,0]=3 5510 B14R1.946 CCCCC(=O)Nc1ccccc1C 22a_100015192222_100000210183 [0,1,0,0,0,1|1,0,0]=3 5511 B14R1.946 CCCCC(=O)Nc1ccccc1C 527a_100015192222_100000210183 [0,1,0,0,0,1|1,0,0]=3 5512 B14R1.946 CCCCC(=O)Nc1ccccc1Cl 11a_100000185783_100000210183 [0,1,0,0,0,1|1,0,0]=3 5513 B14R1.946 CCCCC(=O)Nc1ccccc1Cl 1626a_100000185783_100000210183 [0,1,0,0,0,1|1,0,0]=3 5514 B14R1.946 CCCCC(=O)Nc1ccccc1Cl 22a_100000185783_100000210183 [0,1,0,0,0,1|1,0,0]=3 5515 B14R1.946 CCCCC(=O)Nc1ccccc1Cl 527a_100000185783_100000210183 [0,1,0,0,0,1|1,0,0]=3 5516 B14R1.946 CCCCC(=O)Nc1ccccc1F 11a_100000210422_100000210183 [0,1,0,0,0,1|1,0,0]=3 5517 B14R1.946 CCCCC(=O)Nc1ccccc1F 1626a_100000210422_100000210183 [0,1,0,0,0,1|1,0,0]=3 5518 B14R1.946 CCCCC(=O)Nc1ccccc1F 22a_100000210422_100000210183 [0,1,0,0,0,1|1,0,0]=3 5519 B14R1.946 CCCCC(=O)Nc1ccccc1F 527a_100000210422_100000210183 [0,1,0,0,0,1|1,0,0]=3 5520 B14R1.946 CCCCC(=O)Nc1ccccc1I 11a_100000210053_100000210183 [0,1,0,0,0,1|1,0,0]=3 5521 B14R1.946 CCCCC(=O)Nc1ccccc1I 1626a_100000210053_100000210183 [0,1,0,0,0,1|1,0,0]=3 5522 B14R1.946 CCCCC(=O)Nc1ccccc1O 22a_100000185747_100000210183 [0,1,0,0,0,1|1,0,0]=3 5523 B14R1.946 CCCCC(=O)Nc1ccccc1O 527a_100000185747_100000210183 [0,1,0,0,0,1|1,0,0]=3 5524 B14R1.946 CCCNC(=O)Cc1ccccc1Br 11a_100020643023_100000751119 [0,1,0,0,0,1|1,0,0]=3 5525 B14R1.946 CCCNC(=O)Cc1ccccc1Br 240690a_100020643023_100000751119 [0,1,0,0,0,1|1,0,0]=3 5526 B14R1.946 CCCNC(=O)Cc1ccccc1Br 527a_100020643023_100000751119 [0,1,0,0,0,1|1,0,0]=3 5527 B14R1.946 CCCNC(=O)Cc1ccccc1C 11a_100020643023_100000212180 [0,1,0,0,0,1|1,0,0]=3 5528 B14R1.946 CCCNC(=O)Cc1ccccc1C 1626a_100020643023_100000212180 [0,1,0,0,0,1|1,0,0]=3 5529 B14R1.946 CCCNC(=O)Cc1ccccc1C 240690a_100020643023_100000212180 [0,1,0,0,0,1|1,0,0]=3 5530 B14R1.946 CCCNC(=O)Cc1ccccc1C 527a_100020643023_100000212180 [0,1,0,0,0,1|1,0,0]=3 5531 B14R1.946 CCCNC(=O)Cc1ccccc1Cl 11a_100020643023_100000183793 [0,1,0,0,0,1|1,0,0]=3 5532 B14R1.946 CCCNC(=O)Cc1ccccc1Cl 1626a_100020643023_100000183793 [0,1,0,0,0,1|1,0,0]=3 5533 B14R1.946 CCCNC(=O)Cc1ccccc1Cl 240690a_100020643023_100000183793 [0,1,0,0,0,1|1,0,0]=3 5534 B14R1.946 CCCNC(=O)Cc1ccccc1Cl 527a_100020643023_100000183793 [0,1,0,0,0,1|1,0,0]=3 5535 B14R1.946 CCCNC(=O)Cc1ccccc1F 11a_100020643023_100000212012 [0,1,0,0,0,1|1,0,0]=3 5536 B14R1.946 CCCNC(=O)Cc1ccccc1F 1626a_100020643023_100000212012 [0,1,0,0,0,1|1,0,0]=3 5537 B14R1.946 CCCNC(=O)Cc1ccccc1F 240690a_100020643023_100000212012 [0,1,0,0,0,1|1,0,0]=3 5538 B14R1.946 CCCNC(=O)Cc1ccccc1F 527a_100020643023_100000212012 [0,1,0,0,0,1|1,0,0]=3 5539 B14R1.946 CCCNC(=O)Cc1ccccc1I 11a_100020643023_100000036491 [0,1,0,0,0,1|1,0,0]=3 5540 B14R1.946 CCCNC(=O)Cc1ccccc1I 1626a_100020643023_100000036491 [0,1,0,0,0,1|1,0,0]=3 5541 B14R1.946 CCCNC(=O)Cc1ccccc1I 240690a_100020643023_100000036491 [0,1,0,0,0,1|1,0,0]=3 5542 B14R1.946 CCCNC(=O)Cc1ccccc1I 527a_100020643023_100000036491 [0,1,0,0,0,1|1,0,0]=3 5543 B14R1.946 CCCNC(=O)Cc1ccccc1O 240690a_100020643023_100000743006 [0,1,0,0,0,1|1,0,0]=3 5544 B14R1.946 CCCNC(=O)Cc1ccccc1O 527a_100020643023_100000743006 [0,1,0,0,0,1|1,0,0]=3 5545 B14R1.946 CCCNC(=O)Cc1cccnc1Cl 11a_100020643023_100000093521 [0,1,0,0,0,1|2,0,0]=4 5546 B14R1.946 CCCNC(=O)Cc1cccnc1Cl 1626a_100020643023_100000093521 [0,1,0,0,0,1|2,0,0]=4 5547 B14R1.946 CCCNC(=O)Cc1cccnc1Cl 240690a_100020643023_100000093521 [0,1,0,0,0,1|2,0,0]=4 5548 B14R1.946 CCCNC(=O)Cc1cccnc1Cl 527a_100020643023_100000093521 [0,1,0,0,0,1|2,0,0]=4 5549 B14R1.946 CCCNC(=O)Cc1ncccc1Br 11a_100020643023_200012357574 [0,1,0,0,0,1|2,0,0]=4 5550 B14R1.946 CCCNC(=O)Cc1ncccc1Br 240690a_100020643023_200012357574 [0,1,0,0,0,1|2,0,0]=4 5551 B14R1.946 CCCNC(=O)Cc1ncccc1C 11a_100020643023_200000722269 [0,1,0,0,0,1|2,0,0]=4 5552 B14R1.946 CCCNC(=O)Cc1ncccc1C 1626a_100020643023_200000722269 [0,1,0,0,0,1|2,0,0]=4 5553 B14R1.946 CCCNC(=O)Cc1ncccc1C 240690a_100020643023_200000722269 [0,1,0,0,0,1|2,0,0]=4 5554 B14R1.946 CCCNC(=O)Cc1ncccc1Cl 11a_100020643023_100011998755 [0,1,0,0,0,1|2,0,0]=4 5555 B14R1.946 CCCNC(=O)Cc1ncccc1Cl 240690a_100020643023_100011998755 [0,1,0,0,0,1|2,0,0]=4 5556 B14R1.946 CCCNC(=O)Cc1ncccc1Cl 527a_100020643023_100011998755 [0,1,0,0,0,1|2,0,0]=4 5557 B14R1.946 CCCNC(=O)Cn1ccccc1=O 1626a_100020643023_100000189665 [0,1,0,0,0,1|2,0,0]=4 5558 B14R1.946 CCCNC(=O)Cn1ccccc1=O 240690a_100020643023_100000189665 [0,1,0,0,0,1|2,0,0]=4 5559 B14R1.946 CCCNC(=O)Cn1ccccc1=O 527a_100020643023_100000189665 [0,1,0,0,0,1|2,0,0]=4 5560 B14R1.946 CCCNC(=O)Nc1ccccc1Br 2430a_100000210017_100020643023 [0,1,0,0,0,1|1,0,0]=3 5561 B14R1.946 CCCNC(=O)Nc1ccccc1C 2430a_100015192222_100020643023 [0,1,0,0,0,1|1,0,0]=3 5562 B14R1.946 CCCNC(=O)Nc1ccccc1Cl 2430a_100000185783_100020643023 [0,1,0,0,0,1|1,0,0]=3 5563 B14R1.946 CCCNC(=O)Nc1ccccc1F 2430a_100000210422_100020643023 [0,1,0,0,0,1|1,0,0]=3 5564 B14R1.946 CCCNC(=O)Nc1ccccc1I 2430a_100000210053_100020643023 [0,1,0,0,0,1|1,0,0]=3 5565 B14R1.946 CCCNC(=O)Nc1ccccc1O 2430a_100000185747_100020643023 [0,1,0,0,0,1|1,0,0]=3 5566 B14R1.946 CCNCC(=O)Cc1ccccc1Br 2230a_100015525214_100000700504 [0,1,0,0,0,1|2,0,0]=4 5567 B14R1.946 CCNCC(=O)Cc1ccccc1C 2230a_100015525214_100011223134 [0,1,0,0,0,1|2,0,0]=4 5568 B14R1.946 CCNCC(=O)Nc1ccccc1Br 2230a_100000683505_100000210202 [0,1,0,0,0,1|2,0,0]=4 5569 B14R1.946 CCNCC(=O)Nc1ccccc1Br 2230a_100015525214_100000182372 [0,1,0,0,0,1|2,0,0]=4 5570 B14R1.946 CCNCC(=O)Nc1ccccc1C 2230a_100015186652_100000210202 [0,1,0,0,0,1|2,0,0]=4 5571 B14R1.946 CCNCC(=O)Nc1ccccc1C 2230a_100015525214_100000183529 [0,1,0,0,0,1|2,0,0]=4 5572 B14R1.946 CCNCC(=O)Nc1ccccc1Cl 2230a_100015525214_100000182448 [0,1,0,0,0,1|2,0,0]=4 5573 B14R1.946 CCNCC(=O)Nc1ccccc1F 2230a_100015525214_100000182988 [0,1,0,0,0,1|2,0,0]=4 5574 B14R1.946 CCNCC(=O)Nc1ccccc1I 2230a_100015525214_100000180142 [0,1,0,0,0,1|2,0,0]=4 5575 B14R1.946 CCNNC(=O)Cc1ccccc1Br 22a_100000756455_100000751119 [0,1,0,0,0,1|2,0,0]=4 5576 B14R1.946 CCNNC(=O)Cc1ccccc1C 22a_100000756455_100000212180 [0,1,0,0,0,1|2,0,0]=4 5577 B14R1.946 CCNNC(=O)Cc1ccccc1Cl 22a_100000756455_100000183793 [0,1,0,0,0,1|2,0,0]=4 5578 B14R1.946 CCNNC(=O)Cc1ccccc1F 22a_100000756455_100000212012 [0,1,0,0,0,1|2,0,0]=4 5579 B14R1.946 CCNNC(=O)Cc1ccccc1I 22a_100000756455_100000036491 [0,1,0,0,0,1|2,0,0]=4 5580 B14R1.946 CCNNC(=O)Cc1ccccc1O 22a_100000756455_100000743006 [0,1,0,0,0,1|2,0,0]=4 5581 B14R1.946 CCOCC(=O)Cc1ccccc1Br 1458a_100000211967_100000184730 [0,1,0,0,0,1|2,0,0]=4 5582 B14R1.946 CCOCC(=O)Cc1ccccc1Br 34a_100121572206_100000700504 [0,1,0,0,0,1|2,0,0]=4 5583 B14R1.946 CCOCC(=O)Cc1ccccc1C 1458a_100000211967_100000211839 [0,1,0,0,0,1|2,0,0]=4 5584 B14R1.946 CCOCC(=O)Cc1ccccc1Cl 1458a_100000211967_100000187162 [0,1,0,0,0,1|2,0,0]=4 5585 B14R1.946 CCOCC(=O)Cc1ccccc1F 1458a_100000211967_100000187165 [0,1,0,0,0,1|2,0,0]=4 5586 B14R1.946 CCOCC(=O)Cc1ccccc1I 1458a_100000211967_100011216222 [0,1,0,0,0,1|2,0,0]=4 5587 B14R1.946 CCOCC(=O)Nc1ccccc1Br 11a_100000210017_100000211967 [0,1,0,0,0,1|2,0,0]=4 5588 B14R1.946 CCOCC(=O)Nc1ccccc1Br 1626a_100000210017_100000211967 [0,1,0,0,0,1|2,0,0]=4 5589 B14R1.946 CCOCC(=O)Nc1ccccc1C 11a_100015192222_100000211967 [0,1,0,0,0,1|2,0,0]=4 5590 B14R1.946 CCOCC(=O)Nc1ccccc1C 1626a_100015192222_100000211967 [0,1,0,0,0,1|2,0,0]=4 5591 B14R1.946 CCOCC(=O)Nc1ccccc1C 22a_100015192222_100000211967 [0,1,0,0,0,1|2,0,0]=4 5592 B14R1.946 CCOCC(=O)Nc1ccccc1C 34a_100121572206_100000183529 [0,1,0,0,0,1|2,0,0]=4 5593 B14R1.946 CCOCC(=O)Nc1ccccc1C 527a_100015192222_100000211967 [0,1,0,0,0,1|2,0,0]=4 5594 B14R1.946 CCOCC(=O)Nc1ccccc1Cl 11a_100000185783_100000211967 [0,1,0,0,0,1|2,0,0]=4 5595 B14R1.946 CCOCC(=O)Nc1ccccc1Cl 1626a_100000185783_100000211967 [0,1,0,0,0,1|2,0,0]=4 5596 B14R1.946 CCOCC(=O)Nc1ccccc1Cl 22a_100000185783_100000211967 [0,1,0,0,0,1|2,0,0]=4 5597 B14R1.946 CCOCC(=O)Nc1ccccc1Cl 34a_100121572206_100000182448 [0,1,0,0,0,1|2,0,0]=4 5598 B14R1.946 CCOCC(=O)Nc1ccccc1Cl 527a_100000185783_100000211967 [0,1,0,0,0,1|2,0,0]=4 5599 B14R1.946 CCOCC(=O)Nc1ccccc1F 11a_100000210422_100000211967 [0,1,0,0,0,1|2,0,0]=4 5600 B14R1.946 CCOCC(=O)Nc1ccccc1F 1626a_100000210422_100000211967 [0,1,0,0,0,1|2,0,0]=4 5601 B14R1.946 CCOCC(=O)Nc1ccccc1F 22a_100000210422_100000211967 [0,1,0,0,0,1|2,0,0]=4 5602 B14R1.946 CCOCC(=O)Nc1ccccc1F 34a_100121572206_100000243840 [0,1,0,0,0,1|2,0,0]=4 5603 B14R1.946 CCOCC(=O)Nc1ccccc1F 527a_100000210422_100000211967 [0,1,0,0,0,1|2,0,0]=4 5604 B14R1.946 CCOCC(=O)Nc1ccccc1I 11a_100000210053_100000211967 [0,1,0,0,0,1|2,0,0]=4 5605 B14R1.946 CCOCC(=O)Nc1ccccc1I 1626a_100000210053_100000211967 [0,1,0,0,0,1|2,0,0]=4 5606 B14R1.946 CCOCC(=O)Nc1ccccc1I 34a_100121572206_100000180142 [0,1,0,0,0,1|2,0,0]=4 5607 B14R1.946 CCOCC(=O)Nc1ccccc1O 22a_100000185747_100000211967 [0,1,0,0,0,1|2,0,0]=4 5608 B14R1.946 CCOCC(=O)Nc1ccccc1O 527a_100000185747_100000211967 [0,1,0,0,0,1|2,0,0]=4 5609 B14R1.946 CCSCC(=O)Cc1ccccc1Br 1458a_100000230394_100000184730 [0,1,0,0,0,1|2,0,0]=4 5610 B14R1.946 CCSCC(=O)Cc1ccccc1Br 62a_100000210202_100000700504 [0,1,0,0,0,1|2,0,0]=4 5611 B14R1.946 CCSCC(=O)Cc1ccccc1Br 62a_100000700504_100000210202 [0,1,0,0,0,1|2,0,0]=4 5612 B14R1.946 CCSCC(=O)Cc1ccccc1C 1458a_100000230394_100000211839 [0,1,0,0,0,1|2,0,0]=4 5613 B14R1.946 CCSCC(=O)Cc1ccccc1C 62a_100000210202_100011223134 [0,1,0,0,0,1|2,0,0]=4 5614 B14R1.946 CCSCC(=O)Cc1ccccc1C 62a_100011223134_100000210202 [0,1,0,0,0,1|2,0,0]=4 5615 B14R1.946 CCSCC(=O)Cc1ccccc1Cl 1458a_100000230394_100000187162 [0,1,0,0,0,1|2,0,0]=4 5616 B14R1.946 CCSCC(=O)Cc1ccccc1F 1458a_100000230394_100000187165 [0,1,0,0,0,1|2,0,0]=4 5617 B14R1.946 CCSCC(=O)Cc1ccccc1I 1458a_100000230394_100011216222 [0,1,0,0,0,1|2,0,0]=4 5618 B14R1.946 CCSCC(=O)Nc1ccccc1Br 11a_100000210017_100000230394 [0,1,0,0,0,1|2,0,0]=4 5619 B14R1.946 CCSCC(=O)Nc1ccccc1Br 1626a_100000210017_100000230394 [0,1,0,0,0,1|2,0,0]=4 5620 B14R1.946 CCSCC(=O)Nc1ccccc1Br 62a_100000182372_100000210202 [0,1,0,0,0,1|2,0,0]=4 5621 B14R1.946 CCSCC(=O)Nc1ccccc1Br 62a_100000210202_100000182372 [0,1,0,0,0,1|2,0,0]=4 5622 B14R1.946 CCSCC(=O)Nc1ccccc1C 11a_100015192222_100000230394 [0,1,0,0,0,1|2,0,0]=4 5623 B14R1.946 CCSCC(=O)Nc1ccccc1C 1626a_100015192222_100000230394 [0,1,0,0,0,1|2,0,0]=4 5624 B14R1.946 CCSCC(=O)Nc1ccccc1C 22a_100015192222_100000230394 [0,1,0,0,0,1|2,0,0]=4 5625 B14R1.946 CCSCC(=O)Nc1ccccc1C 527a_100015192222_100000230394 [0,1,0,0,0,1|2,0,0]=4 5626 B14R1.946 CCSCC(=O)Nc1ccccc1C 62a_100000210202_100000183529 [0,1,0,0,0,1|2,0,0]=4 5627 B14R1.946 CCSCC(=O)Nc1ccccc1Cl 11a_100000185783_100000230394 [0,1,0,0,0,1|2,0,0]=4 5628 B14R1.946 CCSCC(=O)Nc1ccccc1Cl 1626a_100000185783_100000230394 [0,1,0,0,0,1|2,0,0]=4 5629 B14R1.946 CCSCC(=O)Nc1ccccc1Cl 22a_100000185783_100000230394 [0,1,0,0,0,1|2,0,0]=4 5630 B14R1.946 CCSCC(=O)Nc1ccccc1Cl 527a_100000185783_100000230394 [0,1,0,0,0,1|2,0,0]=4 5631 B14R1.946 CCSCC(=O)Nc1ccccc1Cl 62a_100000210202_100000182448 [0,1,0,0,0,1|2,0,0]=4 5632 B14R1.946 CCSCC(=O)Nc1ccccc1Cl 62a_200011202291_100000210202 [0,1,0,0,0,1|2,0,0]=4 5633 B14R1.946 CCSCC(=O)Nc1ccccc1F 11a_100000210422_100000230394 [0,1,0,0,0,1|2,0,0]=4 5634 B14R1.946 CCSCC(=O)Nc1ccccc1F 1626a_100000210422_100000230394 [0,1,0,0,0,1|2,0,0]=4 5635 B14R1.946 CCSCC(=O)Nc1ccccc1F 22a_100000210422_100000230394 [0,1,0,0,0,1|2,0,0]=4 5636 B14R1.946 CCSCC(=O)Nc1ccccc1F 527a_100000210422_100000230394 [0,1,0,0,0,1|2,0,0]=4 5637 B14R1.946 CCSCC(=O)Nc1ccccc1F 62a_100000182988_100000210202 [0,1,0,0,0,1|2,0,0]=4 5638 B14R1.946 CCSCC(=O)Nc1ccccc1F 62a_100000210202_100000182988 [0,1,0,0,0,1|2,0,0]=4 5639 B14R1.946 CCSCC(=O)Nc1ccccc1I 11a_100000210053_100000230394 [0,1,0,0,0,1|2,0,0]=4 5640 B14R1.946 CCSCC(=O)Nc1ccccc1I 1626a_100000210053_100000230394 [0,1,0,0,0,1|2,0,0]=4 5641 B14R1.946 CCSCC(=O)Nc1ccccc1I 62a_100000180142_100000210202 [0,1,0,0,0,1|2,0,0]=4 5642 B14R1.946 CCSCC(=O)Nc1ccccc1I 62a_100000210202_100000180142 [0,1,0,0,0,1|2,0,0]=4 5643 B14R1.946 CCSCC(=O)Nc1ccccc1O 22a_100000185747_100000230394 [0,1,0,0,0,1|2,0,0]=4 5644 B14R1.946 CCSCC(=O)Nc1ccccc1O 527a_100000185747_100000230394 [0,1,0,0,0,1|2,0,0]=4 5645 B14R1.946 CCSCC(=O)Nc1ccccc1O 62a_100000210202_100000014494 [0,1,0,0,0,1|2,0,0]=4 5646 B14R1.946 CNCCC(=O)Nc1ccccc1Br 2230a_106832991635_100000181489 [0,1,0,0,0,1|2,0,0]=4 5647 B14R1.946 CNCCC(=O)Nc1ccccc1Br 7a_106832991635_100000181489 [0,1,0,0,0,1|2,0,0]=4 5648 B14R1.946 CNCCC(=O)Nc1ccccc1C 2230a_106832991635_200011206476 [0,1,0,0,0,1|2,0,0]=4 5649 B14R1.946 CNCCC(=O)Nc1ccccc1C 2230a_200015185780_200000210301 [0,1,0,0,0,1|2,0,0]=4 5650 B14R1.946 CNCCC(=O)Nc1ccccc1C 34a_200015185780_200000210301 [0,1,0,0,0,1|2,0,0]=4 5651 B14R1.946 CNCCC(=O)Nc1ccccc1C 7a_106832991635_200011206476 [0,1,0,0,0,1|2,0,0]=4 5652 B14R1.946 CNCCC(=O)Nc1ccccc1Cl 2230a_106832991635_100000242055 [0,1,0,0,0,1|2,0,0]=4 5653 B14R1.946 CNCCC(=O)Nc1ccccc1Cl 7a_106832991635_100000242055 [0,1,0,0,0,1|2,0,0]=4 5654 B14R1.946 CNCCC(=O)Nc1ccccc1F 2230a_100015185137_200000210301 [0,1,0,0,0,1|2,0,0]=4 5655 B14R1.946 CNCCC(=O)Nc1ccccc1F 2230a_106832991635_100000242066 [0,1,0,0,0,1|2,0,0]=4 5656 B14R1.946 CNCCC(=O)Nc1ccccc1F 34a_100015185137_200000210301 [0,1,0,0,0,1|2,0,0]=4 5657 B14R1.946 CNCCC(=O)Nc1ccccc1F 7a_106832991635_100000242066 [0,1,0,0,0,1|2,0,0]=4 5658 B14R1.946 COCCC(=O)Cc1ccccc1Br 1458a_100000749529_100000184730 [0,1,0,0,0,1|2,0,0]=4 5659 B14R1.946 COCCC(=O)Cc1ccccc1Br 1458a_100000751119_100000233755 [0,1,0,0,0,1|2,0,0]=4 5660 B14R1.946 COCCC(=O)Cc1ccccc1C 1458a_100000212180_100000233755 [0,1,0,0,0,1|2,0,0]=4 5661 B14R1.946 COCCC(=O)Cc1ccccc1C 1458a_100000749529_100000211839 [0,1,0,0,0,1|2,0,0]=4 5662 B14R1.946 COCCC(=O)Cc1ccccc1Cl 1458a_100000183793_100000233755 [0,1,0,0,0,1|2,0,0]=4 5663 B14R1.946 COCCC(=O)Cc1ccccc1Cl 1458a_100000749529_100000187162 [0,1,0,0,0,1|2,0,0]=4 5664 B14R1.946 COCCC(=O)Cc1ccccc1F 1458a_100000212012_100000233755 [0,1,0,0,0,1|2,0,0]=4 5665 B14R1.946 COCCC(=O)Cc1ccccc1F 1458a_100000749529_100000187165 [0,1,0,0,0,1|2,0,0]=4 5666 B14R1.946 COCCC(=O)Cc1ccccc1I 1458a_100000036491_100000233755 [0,1,0,0,0,1|2,0,0]=4 5667 B14R1.946 COCCC(=O)Cc1ccccc1I 1458a_100000749529_100011216222 [0,1,0,0,0,1|2,0,0]=4 5668 B14R1.946 COCCC(=O)Cc1ccccc1O 1458a_100000743006_100000233755 [0,1,0,0,0,1|2,0,0]=4 5669 B14R1.946 COCCC(=O)Nc1ccccc1Br 11a_100000210017_100000749529 [0,1,0,0,0,1|2,0,0]=4 5670 B14R1.946 COCCC(=O)Nc1ccccc1Br 1626a_100000210017_100000749529 [0,1,0,0,0,1|2,0,0]=4 5671 B14R1.946 COCCC(=O)Nc1ccccc1C 11a_100015192222_100000749529 [0,1,0,0,0,1|2,0,0]=4 5672 B14R1.946 COCCC(=O)Nc1ccccc1C 1626a_100015192222_100000749529 [0,1,0,0,0,1|2,0,0]=4 5673 B14R1.946 COCCC(=O)Nc1ccccc1C 22a_100015192222_100000749529 [0,1,0,0,0,1|2,0,0]=4 5674 B14R1.946 COCCC(=O)Nc1ccccc1C 527a_100015192222_100000749529 [0,1,0,0,0,1|2,0,0]=4 5675 B14R1.946 COCCC(=O)Nc1ccccc1Cl 11a_100000185783_100000749529 [0,1,0,0,0,1|2,0,0]=4 5676 B14R1.946 COCCC(=O)Nc1ccccc1Cl 1626a_100000185783_100000749529 [0,1,0,0,0,1|2,0,0]=4 5677 B14R1.946 COCCC(=O)Nc1ccccc1Cl 22a_100000185783_100000749529 [0,1,0,0,0,1|2,0,0]=4 5678 B14R1.946 COCCC(=O)Nc1ccccc1Cl 527a_100000185783_100000749529 [0,1,0,0,0,1|2,0,0]=4 5679 B14R1.946 COCCC(=O)Nc1ccccc1F 11a_100000210422_100000749529 [0,1,0,0,0,1|2,0,0]=4 5680 B14R1.946 COCCC(=O)Nc1ccccc1F 1626a_100000210422_100000749529 [0,1,0,0,0,1|2,0,0]=4 5681 B14R1.946 COCCC(=O)Nc1ccccc1F 22a_100000210422_100000749529 [0,1,0,0,0,1|2,0,0]=4 5682 B14R1.946 COCCC(=O)Nc1ccccc1F 527a_100000210422_100000749529 [0,1,0,0,0,1|2,0,0]=4 5683 B14R1.946 COCCC(=O)Nc1ccccc1I 11a_100000210053_100000749529 [0,1,0,0,0,1|2,0,0]=4 5684 B14R1.946 COCCC(=O)Nc1ccccc1I 1626a_100000210053_100000749529 [0,1,0,0,0,1|2,0,0]=4 5685 B14R1.946 COCCC(=O)Nc1ccccc1O 22a_100000185747_100000749529 [0,1,0,0,0,1|2,0,0]=4 5686 B14R1.946 COCCC(=O)Nc1ccccc1O 527a_100000185747_100000749529 [0,1,0,0,0,1|2,0,0]=4 5687 B14R1.946 CSCCC(=O)Cc1ccccc1Br 1458a_100000174002_100000184730 [0,1,0,0,0,1|2,0,0]=4 5688 B14R1.946 CSCCC(=O)Cc1ccccc1Br 1458a_100000751119_100000751147 [0,1,0,0,0,1|2,0,0]=4 5689 B14R1.946 CSCCC(=O)Cc1ccccc1C 1458a_100000174002_100000211839 [0,1,0,0,0,1|2,0,0]=4 5690 B14R1.946 CSCCC(=O)Cc1ccccc1C 1458a_100000212180_100000751147 [0,1,0,0,0,1|2,0,0]=4 5691 B14R1.946 CSCCC(=O)Cc1ccccc1Cl 1458a_100000174002_100000187162 [0,1,0,0,0,1|2,0,0]=4 5692 B14R1.946 CSCCC(=O)Cc1ccccc1Cl 1458a_100000183793_100000751147 [0,1,0,0,0,1|2,0,0]=4 5693 B14R1.946 CSCCC(=O)Cc1ccccc1F 1458a_100000174002_100000187165 [0,1,0,0,0,1|2,0,0]=4 5694 B14R1.946 CSCCC(=O)Cc1ccccc1F 1458a_100000212012_100000751147 [0,1,0,0,0,1|2,0,0]=4 5695 B14R1.946 CSCCC(=O)Cc1ccccc1I 1458a_100000036491_100000751147 [0,1,0,0,0,1|2,0,0]=4 5696 B14R1.946 CSCCC(=O)Cc1ccccc1I 1458a_100000174002_100011216222 [0,1,0,0,0,1|2,0,0]=4 5697 B14R1.946 CSCCC(=O)Cc1ccccc1O 1458a_100000743006_100000751147 [0,1,0,0,0,1|2,0,0]=4 5698 B14R1.946 CSCCC(=O)Nc1ccccc1Br 11a_100000210017_100000174002 [0,1,0,0,0,1|2,0,0]=4 5699 B14R1.946 CSCCC(=O)Nc1ccccc1Br 1626a_100000210017_100000174002 [0,1,0,0,0,1|2,0,0]=4 5700 B14R1.946 CSCCC(=O)Nc1ccccc1Br 62a_100000181489_200000210301 [0,1,0,0,0,1|2,0,0]=4 5701 B14R1.946 CSCCC(=O)Nc1ccccc1Br 62a_200000210301_100000181489 [0,1,0,0,0,1|2,0,0]=4 5702 B14R1.946 CSCCC(=O)Nc1ccccc1C 11a_100015192222_100000174002 [0,1,0,0,0,1|2,0,0]=4 5703 B14R1.946 CSCCC(=O)Nc1ccccc1C 1626a_100015192222_100000174002 [0,1,0,0,0,1|2,0,0]=4 5704 B14R1.946 CSCCC(=O)Nc1ccccc1C 22a_100015192222_100000174002 [0,1,0,0,0,1|2,0,0]=4 5705 B14R1.946 CSCCC(=O)Nc1ccccc1C 527a_100015192222_100000174002 [0,1,0,0,0,1|2,0,0]=4 5706 B14R1.946 CSCCC(=O)Nc1ccccc1C 62a_200000210301_200011206476 [0,1,0,0,0,1|2,0,0]=4 5707 B14R1.946 CSCCC(=O)Nc1ccccc1Cl 11a_100000185783_100000174002 [0,1,0,0,0,1|2,0,0]=4 5708 B14R1.946 CSCCC(=O)Nc1ccccc1Cl 1626a_100000185783_100000174002 [0,1,0,0,0,1|2,0,0]=4 5709 B14R1.946 CSCCC(=O)Nc1ccccc1Cl 22a_100000185783_100000174002 [0,1,0,0,0,1|2,0,0]=4 5710 B14R1.946 CSCCC(=O)Nc1ccccc1Cl 527a_100000185783_100000174002 [0,1,0,0,0,1|2,0,0]=4 5711 B14R1.946 CSCCC(=O)Nc1ccccc1Cl 62a_200000210301_100000242055 [0,1,0,0,0,1|2,0,0]=4 5712 B14R1.946 CSCCC(=O)Nc1ccccc1F 11a_100000210422_100000174002 [0,1,0,0,0,1|2,0,0]=4 5713 B14R1.946 CSCCC(=O)Nc1ccccc1F 1626a_100000210422_100000174002 [0,1,0,0,0,1|2,0,0]=4 5714 B14R1.946 CSCCC(=O)Nc1ccccc1F 22a_100000210422_100000174002 [0,1,0,0,0,1|2,0,0]=4 5715 B14R1.946 CSCCC(=O)Nc1ccccc1F 527a_100000210422_100000174002 [0,1,0,0,0,1|2,0,0]=4 5716 B14R1.946 CSCCC(=O)Nc1ccccc1F 62a_100011216740_200000210301 [0,1,0,0,0,1|2,0,0]=4 5717 B14R1.946 CSCCC(=O)Nc1ccccc1F 62a_200000210301_100000242066 [0,1,0,0,0,1|2,0,0]=4 5718 B14R1.946 CSCCC(=O)Nc1ccccc1I 11a_100000210053_100000174002 [0,1,0,0,0,1|2,0,0]=4 5719 B14R1.946 CSCCC(=O)Nc1ccccc1I 1626a_100000210053_100000174002 [0,1,0,0,0,1|2,0,0]=4 5720 B14R1.946 CSCCC(=O)Nc1ccccc1O 22a_100000185747_100000174002 [0,1,0,0,0,1|2,0,0]=4 5721 B14R1.946 CSCCC(=O)Nc1ccccc1O 527a_100000185747_100000174002 [0,1,0,0,0,1|2,0,0]=4 5722 B14R1.946 Cc1ccccc1CC(=O)CCCF 1458a_100000212180_100011934791 [0,1,0,0,0,1|2,0,0]=4 5723 B14R1.946 Cc1ccccc1CC(=O)CCCO 1458a_100000212180_100011215043 [0,1,0,0,0,1|2,0,0]=4 5724 B14R1.946 Cc1ccccc1CC(=O)NCCF 11a_100000724931_100000212180 [0,1,0,0,0,1|2,0,0]=4 5725 B14R1.946 Cc1ccccc1CC(=O)NCCF 1626a_100000724931_100000212180 [0,1,0,0,0,1|2,0,0]=4 5726 B14R1.946 Cc1ccccc1CC(=O)NCCF 240690a_100000724931_100000212180 [0,1,0,0,0,1|2,0,0]=4 5727 B14R1.946 Cc1ccccc1CC(=O)NCCF 527a_100000724931_100000212180 [0,1,0,0,0,1|2,0,0]=4 5728 B14R1.946 Cc1ccccc1CC(=O)NCCO 240690a_100000210304_100000212180 [0,1,0,0,0,1|2,0,0]=4 5729 B14R1.946 Cc1ccccc1CC(=O)NCCO 527a_100000210304_100000212180 [0,1,0,0,0,1|2,0,0]=4 5730 B14R1.946 Cc1ccccc1NC(=O)CCN[13CH3] 2230a_200015185780_200025704644 [0,1,0,0,0,1|2,0,0]=4 5731 B14R1.946 Cc1ccccc1NC(=O)CCN[13CH3] 34a_200015185780_200025704644 [0,1,0,0,0,1|2,0,0]=4 5732 B14R1.946 Cc1ccccc1NC(=O)CCS[13CH3] 62a_200025704644_200011206476 [0,1,0,0,0,1|2,0,0]=4 5733 B14R1.946 Cc1ccccc1NC(=O)NCCF 2430a_100015192222_100000724931 [0,1,0,0,0,1|2,0,0]=4 5734 B14R1.946 Cc1ccccc1NC(=O)NCCO 2430a_100015192222_100000210304 [0,1,0,0,0,1|2,0,0]=4 5735 B14R1.946 O=C(CCCF)Cc1ccccc1Br 1458a_100000751119_100011934791 [0,1,0,0,0,1|2,0,0]=4 5736 B14R1.946 O=C(CCCF)Cc1ccccc1Cl 1458a_100000183793_100011934791 [0,1,0,0,0,1|2,0,0]=4 5737 B14R1.946 O=C(CCCF)Cc1ccccc1F 1458a_100000212012_100011934791 [0,1,0,0,0,1|2,0,0]=4 5738 B14R1.946 O=C(CCCF)Cc1ccccc1I 1458a_100000036491_100011934791 [0,1,0,0,0,1|2,0,0]=4 5739 B14R1.946 O=C(CCCF)Cc1ccccc1O 1458a_100000743006_100011934791 [0,1,0,0,0,1|2,0,0]=4 5740 B14R1.946 O=C(CCCO)Cc1ccccc1Br 1458a_100000751119_100011215043 [0,1,0,0,0,1|2,0,0]=4 5741 B14R1.946 O=C(CCCO)Cc1ccccc1Cl 1458a_100000183793_100011215043 [0,1,0,0,0,1|2,0,0]=4 5742 B14R1.946 O=C(CCCO)Cc1ccccc1F 1458a_100000212012_100011215043 [0,1,0,0,0,1|2,0,0]=4 5743 B14R1.946 O=C(CCCO)Cc1ccccc1I 1458a_100000036491_100011215043 [0,1,0,0,0,1|2,0,0]=4 5744 B14R1.946 O=C(CCCO)Cc1ccccc1O 1458a_100000743006_100011215043 [0,1,0,0,0,1|2,0,0]=4 5745 B14R1.946 O=C(Cc1ccccc1Br)NCCF 11a_100000724931_100000751119 [0,1,0,0,0,1|2,0,0]=4 5746 B14R1.946 O=C(Cc1ccccc1Br)NCCF 240690a_100000724931_100000751119 [0,1,0,0,0,1|2,0,0]=4 5747 B14R1.946 O=C(Cc1ccccc1Br)NCCF 527a_100000724931_100000751119 [0,1,0,0,0,1|2,0,0]=4 5748 B14R1.946 O=C(Cc1ccccc1Br)NCCO 240690a_100000210304_100000751119 [0,1,0,0,0,1|2,0,0]=4 5749 B14R1.946 O=C(Cc1ccccc1Br)NCCO 527a_100000210304_100000751119 [0,1,0,0,0,1|2,0,0]=4 5750 B14R1.946 O=C(Cc1ccccc1Cl)NCCF 11a_100000724931_100000183793 [0,1,0,0,0,1|2,0,0]=4 5751 B14R1.946 O=C(Cc1ccccc1Cl)NCCF 1626a_100000724931_100000183793 [0,1,0,0,0,1|2,0,0]=4 5752 B14R1.946 O=C(Cc1ccccc1Cl)NCCF 240690a_100000724931_100000183793 [0,1,0,0,0,1|2,0,0]=4 5753 B14R1.946 O=C(Cc1ccccc1Cl)NCCF 527a_100000724931_100000183793 [0,1,0,0,0,1|2,0,0]=4 5754 B14R1.946 O=C(Cc1ccccc1Cl)NCCO 240690a_100000210304_100000183793 [0,1,0,0,0,1|2,0,0]=4 5755 B14R1.946 O=C(Cc1ccccc1Cl)NCCO 527a_100000210304_100000183793 [0,1,0,0,0,1|2,0,0]=4 5756 B14R1.946 O=C(Cc1ccccc1F)NCCF 11a_100000724931_100000212012 [0,1,0,0,0,1|2,0,0]=4 5757 B14R1.946 O=C(Cc1ccccc1F)NCCF 1626a_100000724931_100000212012 [0,1,0,0,0,1|2,0,0]=4 5758 B14R1.946 O=C(Cc1ccccc1F)NCCF 240690a_100000724931_100000212012 [0,1,0,0,0,1|2,0,0]=4 5759 B14R1.946 O=C(Cc1ccccc1F)NCCF 527a_100000724931_100000212012 [0,1,0,0,0,1|2,0,0]=4 5760 B14R1.946 O=C(Cc1ccccc1F)NCCO 240690a_100000210304_100000212012 [0,1,0,0,0,1|2,0,0]=4 5761 B14R1.946 O=C(Cc1ccccc1F)NCCO 527a_100000210304_100000212012 [0,1,0,0,0,1|2,0,0]=4 5762 B14R1.946 O=C(Cc1ccccc1I)NCCF 11a_100000724931_100000036491 [0,1,0,0,0,1|2,0,0]=4 5763 B14R1.946 O=C(Cc1ccccc1I)NCCF 1626a_100000724931_100000036491 [0,1,0,0,0,1|2,0,0]=4 5764 B14R1.946 O=C(Cc1ccccc1I)NCCF 240690a_100000724931_100000036491 [0,1,0,0,0,1|2,0,0]=4 5765 B14R1.946 O=C(Cc1ccccc1I)NCCF 527a_100000724931_100000036491 [0,1,0,0,0,1|2,0,0]=4 5766 B14R1.946 O=C(Cc1ccccc1I)NCCO 240690a_100000210304_100000036491 [0,1,0,0,0,1|2,0,0]=4 5767 B14R1.946 O=C(Cc1ccccc1I)NCCO 527a_100000210304_100000036491 [0,1,0,0,0,1|2,0,0]=4 5768 B14R1.946 O=C(Cc1ccccc1O)NCCF 240690a_100000724931_100000743006 [0,1,0,0,0,1|2,0,0]=4 5769 B14R1.946 O=C(Cc1ccccc1O)NCCF 527a_100000724931_100000743006 [0,1,0,0,0,1|2,0,0]=4 5770 B14R1.946 O=C(Cc1ccccc1O)NCCO 240690a_100000210304_100000743006 [0,1,0,0,0,1|2,0,0]=4 5771 B14R1.946 O=C(Cc1ccccc1O)NCCO 527a_100000210304_100000743006 [0,1,0,0,0,1|2,0,0]=4 5772 B14R1.946 O=C(NCCF)Nc1ccccc1Br 2430a_100000210017_100000724931 [0,1,0,0,0,1|2,0,0]=4 5773 B14R1.946 O=C(NCCF)Nc1ccccc1Cl 2430a_100000185783_100000724931 [0,1,0,0,0,1|2,0,0]=4 5774 B14R1.946 O=C(NCCF)Nc1ccccc1F 2430a_100000210422_100000724931 [0,1,0,0,0,1|2,0,0]=4 5775 B14R1.946 O=C(NCCF)Nc1ccccc1I 2430a_100000210053_100000724931 [0,1,0,0,0,1|2,0,0]=4 5776 B14R1.946 O=C(NCCF)Nc1ccccc1O 2430a_100000185747_100000724931 [0,1,0,0,0,1|2,0,0]=4 5777 B14R1.946 O=C(NCCO)Nc1ccccc1Br 2430a_100000210017_100000210304 [0,1,0,0,0,1|2,0,0]=4 5778 B14R1.946 O=C(NCCO)Nc1ccccc1Cl 2430a_100000185783_100000210304 [0,1,0,0,0,1|2,0,0]=4 5779 B14R1.946 O=C(NCCO)Nc1ccccc1F 2430a_100000210422_100000210304 [0,1,0,0,0,1|2,0,0]=4 5780 B14R1.946 O=C(NCCO)Nc1ccccc1I 2430a_100000210053_100000210304 [0,1,0,0,0,1|2,0,0]=4 5781 B14R1.946 O=C(NCCO)Nc1ccccc1O 2430a_100000185747_100000210304 [0,1,0,0,0,1|2,0,0]=4 5782 B14R1.946 [13CH3]NCCC(=O)Nc1ccccc1F 2230a_100015185137_200025704644 [0,1,0,0,0,1|2,0,0]=4 5783 B14R1.946 [13CH3]NCCC(=O)Nc1ccccc1F 34a_100015185137_200025704644 [0,1,0,0,0,1|2,0,0]=4 5784 B14R1.946 [13CH3]SCCC(=O)Nc1ccccc1Br 62a_100000181489_200025704644 [0,1,0,0,0,1|2,0,0]=4 5785 B14R1.946 [13CH3]SCCC(=O)Nc1ccccc1Br 62a_200025704644_100000181489 [0,1,0,0,0,1|2,0,0]=4 5786 B14R1.946 [13CH3]SCCC(=O)Nc1ccccc1Cl 62a_200025704644_100000242055 [0,1,0,0,0,1|2,0,0]=4 5787 B14R1.946 [13CH3]SCCC(=O)Nc1ccccc1F 62a_100011216740_200025704644 [0,1,0,0,0,1|2,0,0]=4 5788 B14R1.946 [13CH3]SCCC(=O)Nc1ccccc1F 62a_200025704644_100000242066 [0,1,0,0,0,1|2,0,0]=4 5789 B14R1.4528 CCCCS(=O)(=O)Nc1ccccc1 232682a_100000106764_100000212082 [0,1,0,0,0,1|2,0,0]=4 5790 B14R1.4528 CCCNS(=O)(=O)Cc1ccccc1 270084a_100020643023_100000211737 [0,1,0,0,0,1|2,0,0]=4 5791 B14R1.4528 CCCNS(=O)(=O)Cc1ccccc1 274078a_100020643023_100000211737 [0,1,0,0,0,1|2,0,0]=4 5792 B14R1.4528 CCCNS(=O)(=O)Cc1ccccc1 40a_100020643023_100000235865 [0,1,0,0,0,1|2,0,0]=4 5793 B14R1.4528 CCCOC(C)(C)Cc1ccccc1 7a_100011215222_100000210303 [0,1,0,0,0,1|1,0,1]=4 5794 B14R1.10 CCC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000185839_100000747405 [0,2,0,0,0,0|1,0,1]=4 5795 B14R1.10 CCC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000210414_100000188085 [0,2,0,0,0,0|1,0,1]=4 5796 B14R1.10 CCC(=O)CC(=O)c1ccc(cc1)C 1458a_100000188618_100000747405 [0,2,0,0,0,0|1,0,1]=4 5797 B14R1.10 CCC(=O)CC(=O)c1ccc(cc1)C 1458a_100000210414_100000211441 [0,2,0,0,0,0|1,0,1]=4 5798 B14R1.10 CCC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000747405 [0,2,0,0,0,0|1,0,1]=4 5799 B14R1.10 CCC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000210414_100000211071 [0,2,0,0,0,0|1,0,1]=4 5800 B14R1.10 CCC(=O)CC(=O)c1ccc(cc1)F 1458a_100000187176_100000747405 [0,2,0,0,0,0|1,0,1]=4 5801 B14R1.10 CCC(=O)CC(=O)c1ccc(cc1)F 1458a_100000210414_100000211279 [0,2,0,0,0,0|1,0,1]=4 5802 B14R1.10 CCC(=O)CC(=O)c1ccc(cc1)I 1458a_100000187904_100000747405 [0,2,0,0,0,0|1,0,1]=4 5803 B14R1.10 CCC(=O)CC(=O)c1ccc(cc1)I 1458a_100000210414_100011216261 [0,2,0,0,0,0|1,0,1]=4 5804 B14R1.10 CCC(=O)CC(=O)c1ccc(cc1)O 1458a_100000210414_100009814261 [0,2,0,0,0,0|1,0,1]=4 5805 B14R1.10 CCC(=O)CC(=O)c1ccc(cc1)O 1458a_100000212099_100000747405 [0,2,0,0,0,0|1,0,1]=4 5806 B14R1.10 CCC(C)CC(=O)c1ccc(cc1)Br 1458a_100000185839_100000748023 [0,2,0,0,0,0|1,0,0]=3 5807 B14R1.10 CCC(C)CC(=O)c1ccc(cc1)C 1458a_100000188618_100000748023 [0,2,0,0,0,0|1,0,0]=3 5808 B14R1.10 CCC(C)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000748023 [0,2,0,0,0,0|1,0,0]=3 5809 B14R1.10 CCC(C)CC(=O)c1ccc(cc1)F 1458a_100000187176_100000748023 [0,2,0,0,0,0|1,0,0]=3 5810 B14R1.10 CCC(C)CC(=O)c1ccc(cc1)I 1458a_100000187904_100000748023 [0,2,0,0,0,0|1,0,0]=3 5811 B14R1.10 CCC(C)CC(=O)c1ccc(cc1)O 1458a_100000212099_100000748023 [0,2,0,0,0,0|1,0,0]=3 5812 B14R1.10 CCC(C)NC(=O)c1ccc(cc1)Br 11a_100000209981_100000185839 [0,2,0,0,0,0|1,0,0]=3 5813 B14R1.10 CCC(C)NC(=O)c1ccc(cc1)Br 1626a_100000209981_100000185839 [0,2,0,0,0,0|1,0,0]=3 5814 B14R1.10 CCC(C)NC(=O)c1ccc(cc1)Br 240690a_100000209981_100000185839 [0,2,0,0,0,0|1,0,0]=3 5815 B14R1.10 CCC(C)NC(=O)c1ccc(cc1)Br 527a_100000209981_100000185839 [0,2,0,0,0,0|1,0,0]=3 5816 B14R1.10 CCC(C)NC(=O)c1ccc(cc1)C 11a_100000209981_100000188618 [0,2,0,0,0,0|1,0,0]=3 5817 B14R1.10 CCC(C)NC(=O)c1ccc(cc1)C 1626a_100000209981_100000188618 [0,2,0,0,0,0|1,0,0]=3 5818 B14R1.10 CCC(C)NC(=O)c1ccc(cc1)C 240690a_100000209981_100000188618 [0,2,0,0,0,0|1,0,0]=3 5819 B14R1.10 CCC(C)NC(=O)c1ccc(cc1)C 527a_100000209981_100000188618 [0,2,0,0,0,0|1,0,0]=3 5820 B14R1.10 CCC(C)NC(=O)c1ccc(cc1)Cl 11a_100000209981_100000210187 [0,2,0,0,0,0|1,0,0]=3 5821 B14R1.10 CCC(C)NC(=O)c1ccc(cc1)Cl 1626a_100000209981_100000210187 [0,2,0,0,0,0|1,0,0]=3 5822 B14R1.10 CCC(C)NC(=O)c1ccc(cc1)Cl 240690a_100000209981_100000210187 [0,2,0,0,0,0|1,0,0]=3 5823 B14R1.10 CCC(C)NC(=O)c1ccc(cc1)Cl 527a_100000209981_100000210187 [0,2,0,0,0,0|1,0,0]=3 5824 B14R1.10 CCC(C)NC(=O)c1ccc(cc1)F 11a_100000209981_100000187176 [0,2,0,0,0,0|1,0,0]=3 5825 B14R1.10 CCC(C)NC(=O)c1ccc(cc1)F 1626a_100000209981_100000187176 [0,2,0,0,0,0|1,0,0]=3 5826 B14R1.10 CCC(C)NC(=O)c1ccc(cc1)F 240690a_100000209981_100000187176 [0,2,0,0,0,0|1,0,0]=3 5827 B14R1.10 CCC(C)NC(=O)c1ccc(cc1)F 527a_100000209981_100000187176 [0,2,0,0,0,0|1,0,0]=3 5828 B14R1.10 CCC(C)NC(=O)c1ccc(cc1)I 11a_100000209981_100000187904 [0,2,0,0,0,0|1,0,0]=3 5829 B14R1.10 CCC(C)NC(=O)c1ccc(cc1)I 1626a_100000209981_100000187904 [0,2,0,0,0,0|1,0,0]=3 5830 B14R1.10 CCC(C)NC(=O)c1ccc(cc1)I 240690a_100000209981_100000187904 [0,2,0,0,0,0|1,0,0]=3 5831 B14R1.10 CCC(C)NC(=O)c1ccc(cc1)I 527a_100000209981_100000187904 [0,2,0,0,0,0|1,0,0]=3 5832 B14R1.10 CCC(C)NC(=O)c1ccc(cc1)O 240690a_100000209981_100000212099 [0,2,0,0,0,0|1,0,0]=3 5833 B14R1.10 CCC(C)NC(=O)c1ccc(cc1)O 527a_100000209981_100000212099 [0,2,0,0,0,0|1,0,0]=3 5834 B14R1.10 CCC(C)OC(C)c1ccc(cc1)Br 34a_100000745893_100011215416 [0,2,0,0,0,0|1,0,1]=4 5835 B14R1.10 CCC(C)OC(C)c1ccc(cc1)Br 7a_100000745893_100000758301 [0,2,0,0,0,0|1,0,1]=4 5836 B14R1.10 CCC(C)OC(C)c1ccc(cc1)C 7a_100000210228_100011261388 [0,2,0,0,0,0|1,0,1]=4 5837 B14R1.10 CCC(C)OC(C)c1ccc(cc1)Cl 7a_100000210228_100000684792 [0,2,0,0,0,0|1,0,1]=4 5838 B14R1.10 CCC(C)OC(C)c1ccc(cc1)F 34a_100000181323_100011215416 [0,2,0,0,0,0|1,0,1]=4 5839 B14R1.10 CCC(C)OC(C)c1ccc(cc1)F 7a_100000181323_100000758301 [0,2,0,0,0,0|1,0,1]=4 5840 B14R1.10 CCC(C)OC(C)c1ccc(cc1)F 7a_100000210228_100000743420 [0,2,0,0,0,0|1,0,1]=4 5841 B14R1.10 CCC(C)OC(C)c1ccc(cc1)N 34a_100011216399_100011215416 [0,2,0,0,0,0|1,0,1]=4 5842 B14R1.10 CCC(C)O[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100011215416 [0,2,0,0,0,0|1,0,1]=4 5843 B14R1.10 CCC(C)O[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100000758301 [0,2,0,0,0,0|1,0,1]=4 5844 B14R1.10 CCC(C)O[C@H](C)c1ccc(cc1)C 34a_100000690690_100011215416 [0,2,0,0,0,0|1,0,1]=4 5845 B14R1.10 CCC(C)O[C@H](C)c1ccc(cc1)C 7a_100000690690_100000758301 [0,2,0,0,0,0|1,0,1]=4 5846 B14R1.10 CCC(O)CC(=O)c1ccc(cc1)Br 1458a_100000185839_100011218378 [0,2,0,0,0,0|1,0,0]=3 5847 B14R1.10 CCC(O)CC(=O)c1ccc(cc1)C 1458a_100000188618_100011218378 [0,2,0,0,0,0|1,0,0]=3 5848 B14R1.10 CCC(O)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100011218378 [0,2,0,0,0,0|1,0,0]=3 5849 B14R1.10 CCC(O)CC(=O)c1ccc(cc1)F 1458a_100000187176_100011218378 [0,2,0,0,0,0|1,0,0]=3 5850 B14R1.10 CCC(O)CC(=O)c1ccc(cc1)I 1458a_100000187904_100011218378 [0,2,0,0,0,0|1,0,0]=3 5851 B14R1.10 CCC(O)CC(=O)c1ccc(cc1)O 1458a_100000212099_100011218378 [0,2,0,0,0,0|1,0,0]=3 5852 B14R1.10 CCN(C)CC(=O)c1ccc(cc1)Br 269982a_100000225621_100000188085 [0,2,0,0,0,0|2,0,0]=4 5853 B14R1.10 CCN(C)CC(=O)c1ccc(cc1)C 2230a_100000225621_100000211441 [0,2,0,0,0,0|2,0,0]=4 5854 B14R1.10 CCN(C)CC(=O)c1ccc(cc1)C 269982a_100000225621_100000211441 [0,2,0,0,0,0|2,0,0]=4 5855 B14R1.10 CCN(C)CC(=O)c1ccc(cc1)Cl 269982a_100000225621_100000211071 [0,2,0,0,0,0|2,0,0]=4 5856 B14R1.10 CCN(C)CC(=O)c1ccc(cc1)F 269982a_100000225621_100000211279 [0,2,0,0,0,0|2,0,0]=4 5857 B14R1.10 CCN(C)CC(=O)c1ccc(cc1)I 269982a_100000225621_100011216261 [0,2,0,0,0,0|2,0,0]=4 5858 B14R1.10 CCN(C)CC(=O)c1ccc(cc1)O 269982a_100000225621_100009814261 [0,2,0,0,0,0|2,0,0]=4 5859 B14R1.10 CC[C@H](C)CC(=O)c1ccc(cc1)Br 1458a_100000185839_100009816398 [0,2,0,0,0,0|1,0,0]=3 5860 B14R1.10 CC[C@H](C)CC(=O)c1ccc(cc1)C 1458a_100000188618_100009816398 [0,2,0,0,0,0|1,0,0]=3 5861 B14R1.10 CC[C@H](C)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100009816398 [0,2,0,0,0,0|1,0,0]=3 5862 B14R1.10 CC[C@H](C)CC(=O)c1ccc(cc1)F 1458a_100000187176_100009816398 [0,2,0,0,0,0|1,0,0]=3 5863 B14R1.10 CC[C@H](C)CC(=O)c1ccc(cc1)I 1458a_100000187904_100009816398 [0,2,0,0,0,0|1,0,0]=3 5864 B14R1.10 CC[C@H](C)CC(=O)c1ccc(cc1)O 1458a_100000212099_100009816398 [0,2,0,0,0,0|1,0,0]=3 5865 B14R1.10 C[C@@H](CO)CC(=O)c1ccc(cc1)Br 1458a_100000185839_100000059175 [0,2,0,0,0,0|2,0,0]=4 5866 B14R1.10 C[C@@H](CO)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000059175 [0,2,0,0,0,0|2,0,0]=4 5867 B14R1.10 C[C@@H](CO)CC(=O)c1ccc(cc1)F 1458a_100000187176_100000059175 [0,2,0,0,0,0|2,0,0]=4 5868 B14R1.10 C[C@@H](CO)CC(=O)c1ccc(cc1)I 1458a_100000187904_100000059175 [0,2,0,0,0,0|2,0,0]=4 5869 B14R1.10 C[C@@H](CO)CC(=O)c1ccc(cc1)O 1458a_100000212099_100000059175 [0,2,0,0,0,0|2,0,0]=4 5870 B14R1.10 C[C@H](CF)NC(=O)c1ccc(cc1)Br 11a_100102880703_100000185839 [0,2,0,0,0,0|2,0,0]=4 5871 B14R1.10 C[C@H](CF)NC(=O)c1ccc(cc1)Br 1626a_100102880703_100000185839 [0,2,0,0,0,0|2,0,0]=4 5872 B14R1.10 C[C@H](CF)NC(=O)c1ccc(cc1)Br 240690a_100102880703_100000185839 [0,2,0,0,0,0|2,0,0]=4 5873 B14R1.10 C[C@H](CF)NC(=O)c1ccc(cc1)Br 527a_100102880703_100000185839 [0,2,0,0,0,0|2,0,0]=4 5874 B14R1.10 C[C@H](CF)NC(=O)c1ccc(cc1)Cl 11a_100102880703_100000210187 [0,2,0,0,0,0|2,0,0]=4 5875 B14R1.10 C[C@H](CF)NC(=O)c1ccc(cc1)Cl 1626a_100102880703_100000210187 [0,2,0,0,0,0|2,0,0]=4 5876 B14R1.10 C[C@H](CF)NC(=O)c1ccc(cc1)Cl 240690a_100102880703_100000210187 [0,2,0,0,0,0|2,0,0]=4 5877 B14R1.10 C[C@H](CF)NC(=O)c1ccc(cc1)Cl 527a_100102880703_100000210187 [0,2,0,0,0,0|2,0,0]=4 5878 B14R1.10 C[C@H](CF)NC(=O)c1ccc(cc1)F 11a_100102880703_100000187176 [0,2,0,0,0,0|2,0,0]=4 5879 B14R1.10 C[C@H](CF)NC(=O)c1ccc(cc1)F 1626a_100102880703_100000187176 [0,2,0,0,0,0|2,0,0]=4 5880 B14R1.10 C[C@H](CF)NC(=O)c1ccc(cc1)F 240690a_100102880703_100000187176 [0,2,0,0,0,0|2,0,0]=4 5881 B14R1.10 C[C@H](CF)NC(=O)c1ccc(cc1)F 527a_100102880703_100000187176 [0,2,0,0,0,0|2,0,0]=4 5882 B14R1.10 C[C@H](CF)NC(=O)c1ccc(cc1)I 11a_100102880703_100000187904 [0,2,0,0,0,0|2,0,0]=4 5883 B14R1.10 C[C@H](CF)NC(=O)c1ccc(cc1)I 1626a_100102880703_100000187904 [0,2,0,0,0,0|2,0,0]=4 5884 B14R1.10 C[C@H](CF)NC(=O)c1ccc(cc1)I 240690a_100102880703_100000187904 [0,2,0,0,0,0|2,0,0]=4 5885 B14R1.10 C[C@H](CF)NC(=O)c1ccc(cc1)I 527a_100102880703_100000187904 [0,2,0,0,0,0|2,0,0]=4 5886 B14R1.10 C[C@H](CF)NC(=O)c1ccc(cc1)O 240690a_100102880703_100000212099 [0,2,0,0,0,0|2,0,0]=4 5887 B14R1.10 C[C@H](CF)NC(=O)c1ccc(cc1)O 527a_100102880703_100000212099 [0,2,0,0,0,0|2,0,0]=4 5888 B14R1.10 C[C@H](CO)NC(=O)c1ccc(cc1)Br 240690a_100000737577_100000185839 [0,2,0,0,0,0|2,0,0]=4 5889 B14R1.10 C[C@H](CO)NC(=O)c1ccc(cc1)Br 527a_100000737577_100000185839 [0,2,0,0,0,0|2,0,0]=4 5890 B14R1.10 C[C@H](CO)NC(=O)c1ccc(cc1)Cl 240690a_100000737577_100000210187 [0,2,0,0,0,0|2,0,0]=4 5891 B14R1.10 C[C@H](CO)NC(=O)c1ccc(cc1)Cl 527a_100000737577_100000210187 [0,2,0,0,0,0|2,0,0]=4 5892 B14R1.10 C[C@H](CO)NC(=O)c1ccc(cc1)F 240690a_100000737577_100000187176 [0,2,0,0,0,0|2,0,0]=4 5893 B14R1.10 C[C@H](CO)NC(=O)c1ccc(cc1)F 527a_100000737577_100000187176 [0,2,0,0,0,0|2,0,0]=4 5894 B14R1.10 C[C@H](CO)NC(=O)c1ccc(cc1)I 240690a_100000737577_100000187904 [0,2,0,0,0,0|2,0,0]=4 5895 B14R1.10 C[C@H](CO)NC(=O)c1ccc(cc1)I 527a_100000737577_100000187904 [0,2,0,0,0,0|2,0,0]=4 5896 B14R1.10 C[C@H](CO)NC(=O)c1ccc(cc1)O 240690a_100000737577_100000212099 [0,2,0,0,0,0|2,0,0]=4 5897 B14R1.10 C[C@H](CO)NC(=O)c1ccc(cc1)O 527a_100000737577_100000212099 [0,2,0,0,0,0|2,0,0]=4 5898 B14R1.10 Cc1ccc(cc1)C(=O)C[C@@H](C)CO 1458a_100000188618_100000059175 [0,2,0,0,0,0|2,0,0]=4 5899 B14R1.10 Cc1ccc(cc1)C(=O)N[C@H](C)CF 11a_100102880703_100000188618 [0,2,0,0,0,0|2,0,0]=4 5900 B14R1.10 Cc1ccc(cc1)C(=O)N[C@H](C)CF 1626a_100102880703_100000188618 [0,2,0,0,0,0|2,0,0]=4 5901 B14R1.10 Cc1ccc(cc1)C(=O)N[C@H](C)CF 240690a_100102880703_100000188618 [0,2,0,0,0,0|2,0,0]=4 5902 B14R1.10 Cc1ccc(cc1)C(=O)N[C@H](C)CF 527a_100102880703_100000188618 [0,2,0,0,0,0|2,0,0]=4 5903 B14R1.10 Cc1ccc(cc1)C(=O)N[C@H](C)CO 240690a_100000737577_100000188618 [0,2,0,0,0,0|2,0,0]=4 5904 B14R1.10 Cc1ccc(cc1)C(=O)N[C@H](C)CO 527a_100000737577_100000188618 [0,2,0,0,0,0|2,0,0]=4 5905 B14R1.10 [2H]C(OC(C)CC)c1ccc(cc1)F 34a_217856618577_100011215416 [0,2,0,0,0,0|1,0,1]=4 5906 B14R1.10 [2H]C(OC(C)CC)c1ccc(cc1)F 7a_217856618577_100000758301 [0,2,0,0,0,0|1,0,1]=4 5907 B14R1.11 CCC(=O)CC(=O)c1cccc(c1)Br 1458a_100000210414_100000212080 [0,2,0,0,0,0|1,0,1]=4 5908 B14R1.11 CCC(=O)CC(=O)c1cccc(c1)Br 1458a_100000210664_100000747405 [0,2,0,0,0,0|1,0,1]=4 5909 B14R1.11 CCC(=O)CC(=O)c1cccc(c1)C 1458a_100000189346_100000747405 [0,2,0,0,0,0|1,0,1]=4 5910 B14R1.11 CCC(=O)CC(=O)c1cccc(c1)C 1458a_100000210414_100000739480 [0,2,0,0,0,0|1,0,1]=4 5911 B14R1.11 CCC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000210390_100000747405 [0,2,0,0,0,0|1,0,1]=4 5912 B14R1.11 CCC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000210414_100000211444 [0,2,0,0,0,0|1,0,1]=4 5913 B14R1.11 CCC(=O)CC(=O)c1cccc(c1)F 1458a_100000210414_100000215616 [0,2,0,0,0,0|1,0,1]=4 5914 B14R1.11 CCC(=O)CC(=O)c1cccc(c1)F 1458a_100000210950_100000747405 [0,2,0,0,0,0|1,0,1]=4 5915 B14R1.11 CCC(=O)CC(=O)c1cccc(c1)I 1458a_100000184098_100000747405 [0,2,0,0,0,0|1,0,1]=4 5916 B14R1.11 CCC(=O)CC(=O)c1cccc(c1)O 1458a_100000183914_100000747405 [0,2,0,0,0,0|1,0,1]=4 5917 B14R1.11 CCC(=O)CC(=O)c1cccc(c1)O 1458a_100000210414_100009813753 [0,2,0,0,0,0|1,0,1]=4 5918 B14R1.11 CCC(C)CC(=O)c1cccc(c1)Br 1458a_100000210664_100000748023 [0,2,0,0,0,0|1,0,0]=3 5919 B14R1.11 CCC(C)CC(=O)c1cccc(c1)C 1458a_100000189346_100000748023 [0,2,0,0,0,0|1,0,0]=3 5920 B14R1.11 CCC(C)CC(=O)c1cccc(c1)Cl 1458a_100000210390_100000748023 [0,2,0,0,0,0|1,0,0]=3 5921 B14R1.11 CCC(C)CC(=O)c1cccc(c1)F 1458a_100000210950_100000748023 [0,2,0,0,0,0|1,0,0]=3 5922 B14R1.11 CCC(C)CC(=O)c1cccc(c1)I 1458a_100000184098_100000748023 [0,2,0,0,0,0|1,0,0]=3 5923 B14R1.11 CCC(C)CC(=O)c1cccc(c1)O 1458a_100000183914_100000748023 [0,2,0,0,0,0|1,0,0]=3 5924 B14R1.11 CCC(C)NC(=O)c1cccc(c1)Br 11a_100000209981_100000210664 [0,2,0,0,0,0|1,0,0]=3 5925 B14R1.11 CCC(C)NC(=O)c1cccc(c1)Br 1626a_100000209981_100000210664 [0,2,0,0,0,0|1,0,0]=3 5926 B14R1.11 CCC(C)NC(=O)c1cccc(c1)Br 240690a_100000209981_100000210664 [0,2,0,0,0,0|1,0,0]=3 5927 B14R1.11 CCC(C)NC(=O)c1cccc(c1)Br 527a_100000209981_100000210664 [0,2,0,0,0,0|1,0,0]=3 5928 B14R1.11 CCC(C)NC(=O)c1cccc(c1)C 11a_100000209981_100000189346 [0,2,0,0,0,0|1,0,0]=3 5929 B14R1.11 CCC(C)NC(=O)c1cccc(c1)C 1626a_100000209981_100000189346 [0,2,0,0,0,0|1,0,0]=3 5930 B14R1.11 CCC(C)NC(=O)c1cccc(c1)C 240690a_100000209981_100000189346 [0,2,0,0,0,0|1,0,0]=3 5931 B14R1.11 CCC(C)NC(=O)c1cccc(c1)C 527a_100000209981_100000189346 [0,2,0,0,0,0|1,0,0]=3 5932 B14R1.11 CCC(C)NC(=O)c1cccc(c1)Cl 11a_100000209981_100000210390 [0,2,0,0,0,0|1,0,0]=3 5933 B14R1.11 CCC(C)NC(=O)c1cccc(c1)Cl 1626a_100000209981_100000210390 [0,2,0,0,0,0|1,0,0]=3 5934 B14R1.11 CCC(C)NC(=O)c1cccc(c1)Cl 240690a_100000209981_100000210390 [0,2,0,0,0,0|1,0,0]=3 5935 B14R1.11 CCC(C)NC(=O)c1cccc(c1)Cl 527a_100000209981_100000210390 [0,2,0,0,0,0|1,0,0]=3 5936 B14R1.11 CCC(C)NC(=O)c1cccc(c1)F 11a_100000209981_100000210950 [0,2,0,0,0,0|1,0,0]=3 5937 B14R1.11 CCC(C)NC(=O)c1cccc(c1)F 1626a_100000209981_100000210950 [0,2,0,0,0,0|1,0,0]=3 5938 B14R1.11 CCC(C)NC(=O)c1cccc(c1)F 240690a_100000209981_100000210950 [0,2,0,0,0,0|1,0,0]=3 5939 B14R1.11 CCC(C)NC(=O)c1cccc(c1)F 527a_100000209981_100000210950 [0,2,0,0,0,0|1,0,0]=3 5940 B14R1.11 CCC(C)NC(=O)c1cccc(c1)I 11a_100000209981_100000184098 [0,2,0,0,0,0|1,0,0]=3 5941 B14R1.11 CCC(C)NC(=O)c1cccc(c1)I 1626a_100000209981_100000184098 [0,2,0,0,0,0|1,0,0]=3 5942 B14R1.11 CCC(C)NC(=O)c1cccc(c1)I 240690a_100000209981_100000184098 [0,2,0,0,0,0|1,0,0]=3 5943 B14R1.11 CCC(C)NC(=O)c1cccc(c1)I 527a_100000209981_100000184098 [0,2,0,0,0,0|1,0,0]=3 5944 B14R1.11 CCC(C)NC(=O)c1cccc(c1)O 240690a_100000209981_100000183914 [0,2,0,0,0,0|1,0,0]=3 5945 B14R1.11 CCC(C)NC(=O)c1cccc(c1)O 527a_100000209981_100000183914 [0,2,0,0,0,0|1,0,0]=3 5946 B14R1.11 CCC(C)OC(C)c1cccc(c1)Br 34a_100000246457_100011215416 [0,2,0,0,0,0|1,0,1]=4 5947 B14R1.11 CCC(C)OC(C)c1cccc(c1)Br 7a_100000246457_100000758301 [0,2,0,0,0,0|1,0,1]=4 5948 B14R1.11 CCC(C)OC(C)c1cccc(c1)C 34a_100000757818_100011215416 [0,2,0,0,0,0|1,0,1]=4 5949 B14R1.11 CCC(C)OC(C)c1cccc(c1)C 7a_100000757818_100000758301 [0,2,0,0,0,0|1,0,1]=4 5950 B14R1.11 CCC(C)OC(C)c1cccc(c1)F 34a_100000744526_100011215416 [0,2,0,0,0,0|1,0,1]=4 5951 B14R1.11 CCC(C)OC(C)c1cccc(c1)F 7a_100000744526_100000758301 [0,2,0,0,0,0|1,0,1]=4 5952 B14R1.11 CCC(C)OC(C)c1cccc(c1)I 34a_100013085317_100011215416 [0,2,0,0,0,0|1,0,1]=4 5953 B14R1.11 CCC(C)OC(C)c1cccc(c1)I 7a_100013085317_100000758301 [0,2,0,0,0,0|1,0,1]=4 5954 B14R1.11 CCC(C)OC(C)c1cccc(c1)N 34a_100011217120_100011215416 [0,2,0,0,0,0|1,0,1]=4 5955 B14R1.11 CCC(C)OC(C)c1cccc(c1)N 7a_100011217120_100000758301 [0,2,0,0,0,0|1,0,1]=4 5956 B14R1.11 CCC(C)O[C@H](C)c1cccc(c1)Cl 34a_100000747380_100011215416 [0,2,0,0,0,0|1,0,1]=4 5957 B14R1.11 CCC(C)O[C@H](C)c1cccc(c1)Cl 7a_100000747380_100000758301 [0,2,0,0,0,0|1,0,1]=4 5958 B14R1.11 CCC(O)CC(=O)c1cccc(c1)Br 1458a_100000210664_100011218378 [0,2,0,0,0,0|1,0,0]=3 5959 B14R1.11 CCC(O)CC(=O)c1cccc(c1)C 1458a_100000189346_100011218378 [0,2,0,0,0,0|1,0,0]=3 5960 B14R1.11 CCC(O)CC(=O)c1cccc(c1)Cl 1458a_100000210390_100011218378 [0,2,0,0,0,0|1,0,0]=3 5961 B14R1.11 CCC(O)CC(=O)c1cccc(c1)F 1458a_100000210950_100011218378 [0,2,0,0,0,0|1,0,0]=3 5962 B14R1.11 CCC(O)CC(=O)c1cccc(c1)I 1458a_100000184098_100011218378 [0,2,0,0,0,0|1,0,0]=3 5963 B14R1.11 CCC(O)CC(=O)c1cccc(c1)O 1458a_100000183914_100011218378 [0,2,0,0,0,0|1,0,0]=3 5964 B14R1.11 CCN(C)CC(=O)c1cccc(c1)Br 2230a_100000225621_100000212080 [0,2,0,0,0,0|2,0,0]=4 5965 B14R1.11 CCN(C)CC(=O)c1cccc(c1)Br 269982a_100000225621_100000212080 [0,2,0,0,0,0|2,0,0]=4 5966 B14R1.11 CCN(C)CC(=O)c1cccc(c1)C 2230a_100000225621_100000739480 [0,2,0,0,0,0|2,0,0]=4 5967 B14R1.11 CCN(C)CC(=O)c1cccc(c1)C 269982a_100000225621_100000739480 [0,2,0,0,0,0|2,0,0]=4 5968 B14R1.11 CCN(C)CC(=O)c1cccc(c1)Cl 2230a_100000225621_100000211444 [0,2,0,0,0,0|2,0,0]=4 5969 B14R1.11 CCN(C)CC(=O)c1cccc(c1)Cl 269982a_100000225621_100000211444 [0,2,0,0,0,0|2,0,0]=4 5970 B14R1.11 CCN(C)CC(=O)c1cccc(c1)F 2230a_100000225621_100000215616 [0,2,0,0,0,0|2,0,0]=4 5971 B14R1.11 CCN(C)CC(=O)c1cccc(c1)F 269982a_100000225621_100000215616 [0,2,0,0,0,0|2,0,0]=4 5972 B14R1.11 CCN(C)CC(=O)c1cccc(c1)O 269982a_100000225621_100009813753 [0,2,0,0,0,0|2,0,0]=4 5973 B14R1.11 CC[C@H](C)CC(=O)c1cccc(c1)Br 1458a_100000210664_100009816398 [0,2,0,0,0,0|1,0,0]=3 5974 B14R1.11 CC[C@H](C)CC(=O)c1cccc(c1)C 1458a_100000189346_100009816398 [0,2,0,0,0,0|1,0,0]=3 5975 B14R1.11 CC[C@H](C)CC(=O)c1cccc(c1)Cl 1458a_100000210390_100009816398 [0,2,0,0,0,0|1,0,0]=3 5976 B14R1.11 CC[C@H](C)CC(=O)c1cccc(c1)F 1458a_100000210950_100009816398 [0,2,0,0,0,0|1,0,0]=3 5977 B14R1.11 CC[C@H](C)CC(=O)c1cccc(c1)I 1458a_100000184098_100009816398 [0,2,0,0,0,0|1,0,0]=3 5978 B14R1.11 CC[C@H](C)CC(=O)c1cccc(c1)O 1458a_100000183914_100009816398 [0,2,0,0,0,0|1,0,0]=3 5979 B14R1.11 C[C@@H](CO)CC(=O)c1cccc(c1)Br 1458a_100000210664_100000059175 [0,2,0,0,0,0|2,0,0]=4 5980 B14R1.11 C[C@@H](CO)CC(=O)c1cccc(c1)Cl 1458a_100000210390_100000059175 [0,2,0,0,0,0|2,0,0]=4 5981 B14R1.11 C[C@@H](CO)CC(=O)c1cccc(c1)F 1458a_100000210950_100000059175 [0,2,0,0,0,0|2,0,0]=4 5982 B14R1.11 C[C@@H](CO)CC(=O)c1cccc(c1)I 1458a_100000184098_100000059175 [0,2,0,0,0,0|2,0,0]=4 5983 B14R1.11 C[C@@H](CO)CC(=O)c1cccc(c1)O 1458a_100000183914_100000059175 [0,2,0,0,0,0|2,0,0]=4 5984 B14R1.11 C[C@H](CF)NC(=O)c1cccc(c1)Br 11a_100102880703_100000210664 [0,2,0,0,0,0|2,0,0]=4 5985 B14R1.11 C[C@H](CF)NC(=O)c1cccc(c1)Br 1626a_100102880703_100000210664 [0,2,0,0,0,0|2,0,0]=4 5986 B14R1.11 C[C@H](CF)NC(=O)c1cccc(c1)Br 240690a_100102880703_100000210664 [0,2,0,0,0,0|2,0,0]=4 5987 B14R1.11 C[C@H](CF)NC(=O)c1cccc(c1)Br 527a_100102880703_100000210664 [0,2,0,0,0,0|2,0,0]=4 5988 B14R1.11 C[C@H](CF)NC(=O)c1cccc(c1)Cl 11a_100102880703_100000210390 [0,2,0,0,0,0|2,0,0]=4 5989 B14R1.11 C[C@H](CF)NC(=O)c1cccc(c1)Cl 1626a_100102880703_100000210390 [0,2,0,0,0,0|2,0,0]=4 5990 B14R1.11 C[C@H](CF)NC(=O)c1cccc(c1)Cl 240690a_100102880703_100000210390 [0,2,0,0,0,0|2,0,0]=4 5991 B14R1.11 C[C@H](CF)NC(=O)c1cccc(c1)Cl 527a_100102880703_100000210390 [0,2,0,0,0,0|2,0,0]=4 5992 B14R1.11 C[C@H](CF)NC(=O)c1cccc(c1)F 11a_100102880703_100000210950 [0,2,0,0,0,0|2,0,0]=4 5993 B14R1.11 C[C@H](CF)NC(=O)c1cccc(c1)F 1626a_100102880703_100000210950 [0,2,0,0,0,0|2,0,0]=4 5994 B14R1.11 C[C@H](CF)NC(=O)c1cccc(c1)F 240690a_100102880703_100000210950 [0,2,0,0,0,0|2,0,0]=4 5995 B14R1.11 C[C@H](CF)NC(=O)c1cccc(c1)F 527a_100102880703_100000210950 [0,2,0,0,0,0|2,0,0]=4 5996 B14R1.11 C[C@H](CF)NC(=O)c1cccc(c1)I 11a_100102880703_100000184098 [0,2,0,0,0,0|2,0,0]=4 5997 B14R1.11 C[C@H](CF)NC(=O)c1cccc(c1)I 1626a_100102880703_100000184098 [0,2,0,0,0,0|2,0,0]=4 5998 B14R1.11 C[C@H](CF)NC(=O)c1cccc(c1)I 240690a_100102880703_100000184098 [0,2,0,0,0,0|2,0,0]=4 5999 B14R1.11 C[C@H](CF)NC(=O)c1cccc(c1)I 527a_100102880703_100000184098 [0,2,0,0,0,0|2,0,0]=4 6000 B14R1.11 C[C@H](CF)NC(=O)c1cccc(c1)O 240690a_100102880703_100000183914 [0,2,0,0,0,0|2,0,0]=4 6001 B14R1.11 C[C@H](CF)NC(=O)c1cccc(c1)O 527a_100102880703_100000183914 [0,2,0,0,0,0|2,0,0]=4 6002 B14R1.11 C[C@H](CO)NC(=O)c1cccc(c1)Br 240690a_100000737577_100000210664 [0,2,0,0,0,0|2,0,0]=4 6003 B14R1.11 C[C@H](CO)NC(=O)c1cccc(c1)Br 527a_100000737577_100000210664 [0,2,0,0,0,0|2,0,0]=4 6004 B14R1.11 C[C@H](CO)NC(=O)c1cccc(c1)Cl 240690a_100000737577_100000210390 [0,2,0,0,0,0|2,0,0]=4 6005 B14R1.11 C[C@H](CO)NC(=O)c1cccc(c1)Cl 527a_100000737577_100000210390 [0,2,0,0,0,0|2,0,0]=4 6006 B14R1.11 C[C@H](CO)NC(=O)c1cccc(c1)F 240690a_100000737577_100000210950 [0,2,0,0,0,0|2,0,0]=4 6007 B14R1.11 C[C@H](CO)NC(=O)c1cccc(c1)F 527a_100000737577_100000210950 [0,2,0,0,0,0|2,0,0]=4 6008 B14R1.11 C[C@H](CO)NC(=O)c1cccc(c1)I 240690a_100000737577_100000184098 [0,2,0,0,0,0|2,0,0]=4 6009 B14R1.11 C[C@H](CO)NC(=O)c1cccc(c1)I 527a_100000737577_100000184098 [0,2,0,0,0,0|2,0,0]=4 6010 B14R1.11 C[C@H](CO)NC(=O)c1cccc(c1)O 240690a_100000737577_100000183914 [0,2,0,0,0,0|2,0,0]=4 6011 B14R1.11 C[C@H](CO)NC(=O)c1cccc(c1)O 527a_100000737577_100000183914 [0,2,0,0,0,0|2,0,0]=4 6012 B14R1.11 Cc1cccc(c1)C(=O)C[C@@H](C)CO 1458a_100000189346_100000059175 [0,2,0,0,0,0|2,0,0]=4 6013 B14R1.11 Cc1cccc(c1)C(=O)N[C@H](C)CF 11a_100102880703_100000189346 [0,2,0,0,0,0|2,0,0]=4 6014 B14R1.11 Cc1cccc(c1)C(=O)N[C@H](C)CF 1626a_100102880703_100000189346 [0,2,0,0,0,0|2,0,0]=4 6015 B14R1.11 Cc1cccc(c1)C(=O)N[C@H](C)CF 240690a_100102880703_100000189346 [0,2,0,0,0,0|2,0,0]=4 6016 B14R1.11 Cc1cccc(c1)C(=O)N[C@H](C)CF 527a_100102880703_100000189346 [0,2,0,0,0,0|2,0,0]=4 6017 B14R1.11 Cc1cccc(c1)C(=O)N[C@H](C)CO 240690a_100000737577_100000189346 [0,2,0,0,0,0|2,0,0]=4 6018 B14R1.11 Cc1cccc(c1)C(=O)N[C@H](C)CO 527a_100000737577_100000189346 [0,2,0,0,0,0|2,0,0]=4 6019 B14R1.29 CC(CCBr)OC(C)c1ccccc1 34a_100012276601_100000211855 [0,2,0,0,0,0|1,0,1]=4 6020 B14R1.29 CC(CCO)O[C@H](C)c1ccccc1 34a_100000761318_100009893172 [0,2,0,0,0,0|1,0,1]=4 6021 B14R1.29 CC(CCO)O[C@H](C)c1ccccc1 7a_100000761318_100009893172 [0,2,0,0,0,0|1,0,1]=4 6022 B14R1.29 CCCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000210303 [0,2,0,0,0,0|2,0,0]=4 6023 B14R1.29 CCCC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000747444 [0,2,0,0,0,0|1,0,0]=3 6024 B14R1.29 CCCC(=O)CC(=O)c1ccccc1 1458a_100000211992_100000211460 [0,2,0,0,0,0|1,0,0]=3 6025 B14R1.29 CCCC(=O)CC(=O)c1ccccn1 1458a_100000211992_100000027445 [0,2,0,0,0,0|2,0,0]=4 6026 B14R1.29 CCCC(=O)CC(=O)c1cccnc1 1458a_100000211992_100015188593 [0,2,0,0,0,0|2,0,0]=4 6027 B14R1.29 CCCC(=O)CC(=O)c1ccncc1 1458a_100000211992_100000027454 [0,2,0,0,0,0|2,0,0]=4 6028 B14R1.29 CCCC(C)CC(=O)c1ccccc1 1458a_100000185807_100011216630 [0,2,0,0,0,0|1,0,0]=3 6029 B14R1.29 CCCC(C)NC(=O)c1ccccc1 11a_100000741246_100000185807 [0,2,0,0,0,0|1,0,0]=3 6030 B14R1.29 CCCC(C)NC(=O)c1ccccc1 1626a_100000741246_100000185807 [0,2,0,0,0,0|1,0,0]=3 6031 B14R1.29 CCCC(C)NC(=O)c1ccccc1 240690a_100000741246_100000185807 [0,2,0,0,0,0|1,0,0]=3 6032 B14R1.29 CCCC(C)NC(=O)c1ccccc1 527a_100000741246_100000185807 [0,2,0,0,0,0|1,0,0]=3 6033 B14R1.29 CCCC(C)OC(C)c1ccccc1 34a_100000764384_100000211855 [0,2,0,0,0,0|1,0,1]=4 6034 B14R1.29 CCCC(C)OC(C)c1ccccc1 7a_100000764384_100000230085 [0,2,0,0,0,0|1,0,1]=4 6035 B14R1.29 CCCC(C)O[C@H](C)c1ccccc1 34a_100000761318_100000766640 [0,2,0,0,0,0|1,0,1]=4 6036 B14R1.29 CCCC(C)O[C@H](C)c1ccccc1 7a_100000761318_100000766640 [0,2,0,0,0,0|1,0,1]=4 6037 B14R1.29 CCCN(C)CC(=O)c1ccccc1 269982a_100000747261_100000211460 [0,2,0,0,0,0|1,0,0]=3 6038 B14R1.29 CCCN(C)CC(=O)c1ccccn1 269982a_100000747261_100000027445 [0,2,0,0,0,0|2,0,0]=4 6039 B14R1.29 CCCN(C)CC(=O)c1cccnc1 269982a_100000747261_100000757877 [0,2,0,0,0,0|2,0,0]=4 6040 B14R1.29 CCCN(C)CC(=O)c1ccncc1 269982a_100000747261_100000027454 [0,2,0,0,0,0|2,0,0]=4 6041 B14R1.29 CCCN(C)CS(=O)c1ccccc1 269982a_100000747261_100000031784 [0,2,0,0,0,0|2,0,0]=4 6042 B14R1.29 CCNC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000183381 [0,2,0,0,0,0|1,0,1]=4 6043 B14R1.29 CCOC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000188475 [0,2,0,0,0,0|1,0,1]=4 6044 B14R1.29 CN(CCO)CC(=O)c1ccccc1 269982a_100000210263_100000211460 [0,2,0,0,0,0|2,0,0]=4 6045 B14R1.29 CNCC(=O)NC(=O)c1ccccc1 7a_106832991635_100000010347 [0,2,0,0,0,0|1,0,1]=4 6046 B14R1.29 COCC(=O)CC(=O)c1ccccc1 1458a_100000210968_100000211460 [0,2,0,0,0,0|1,0,1]=4 6047 B14R1.29 COCC(C)O[C@H](C)c1ccccc1 34a_100000761318_100000765312 [0,2,0,0,0,0|1,0,1]=4 6048 B14R1.29 COCC(C)O[C@H](C)c1ccccc1 7a_100000761318_100000765312 [0,2,0,0,0,0|1,0,1]=4 6049 B14R1.29 COC[C@@H](C)NC(=O)c1ccccc1 11a_100000764878_100000185807 [0,2,0,0,0,0|1,0,0]=3 6050 B14R1.29 COC[C@@H](C)NC(=O)c1ccccc1 1626a_100000764878_100000185807 [0,2,0,0,0,0|1,0,0]=3 6051 B14R1.29 COC[C@@H](C)NC(=O)c1ccccc1 240690a_100000764878_100000185807 [0,2,0,0,0,0|1,0,0]=3 6052 B14R1.29 COC[C@@H](C)NC(=O)c1ccccc1 527a_100000764878_100000185807 [0,2,0,0,0,0|1,0,0]=3 6053 B14R1.29 COC[C@@H](C)OC(C)c1ccccc1 34a_100011934205_100000211855 [0,2,0,0,0,0|1,0,1]=4 6054 B14R1.29 CSCC(=O)CC(=O)c1ccccc1 1458a_100000184570_100000211460 [0,2,0,0,0,0|1,0,1]=4 6055 B14R1.29 CSCC(=O)NC(=O)c1ccccc1 62a_200000210301_100000010347 [0,2,0,0,0,0|1,0,1]=4 6056 B14R1.29 C[C@@H](CC#N)NC(=O)c1ccccc1 11a_100016994482_100000185807 [0,2,0,0,0,0|1,0,1]=4 6057 B14R1.29 C[C@@H](CC#N)NC(=O)c1ccccc1 1626a_100016994482_100000185807 [0,2,0,0,0,0|1,0,1]=4 6058 B14R1.29 C[C@@H](CC#N)NC(=O)c1ccccc1 240690a_100016994482_100000185807 [0,2,0,0,0,0|1,0,1]=4 6059 B14R1.29 C[C@@H](CC#N)NC(=O)c1ccccc1 527a_100016994482_100000185807 [0,2,0,0,0,0|1,0,1]=4 6060 B14R1.29 C[C@H](CCO)NC(=O)c1ccccc1 240690a_100000706166_100000185807 [0,2,0,0,0,0|1,0,0]=3 6061 B14R1.29 C[C@H](CCO)NC(=O)c1ccccc1 527a_100000706166_100000185807 [0,2,0,0,0,0|1,0,0]=3 6062 B14R1.29 O=C(CCO)CC(=O)c1ccccc1 1458a_100011216618_100000211460 [0,2,0,0,0,0|1,0,1]=4 6063 B14R1.29 [13CH3]SCC(=O)NC(=O)c1ccccc1 62a_200025704644_100000010347 [0,2,0,0,0,0|1,0,1]=4 6064 B14R1.58 C#CC(CC)OC(C)c1ccccc1 34a_100000758843_100000211855 [0,2,0,0,0,0|1,0,1]=4 6065 B14R1.58 C#CC(CC)OC(C)c1ccccc1 7a_100000758843_100000230085 [0,2,0,0,0,0|1,0,1]=4 6066 B14R1.58 C=CC(CC)OC(C)c1ccccc1 34a_100000766422_100000211855 [0,2,0,0,0,0|1,0,1]=4 6067 B14R1.58 C=CC(CC)OC(C)c1ccccc1 7a_100000766422_100000230085 [0,2,0,0,0,0|1,0,1]=4 6068 B14R1.58 C=C[C@@H](CO)NC(=O)c1ccccc1 240690a_100016989147_100000185807 [0,2,0,0,0,0|2,0,0]=4 6069 B14R1.58 C=C[C@@H](CO)NC(=O)c1ccccc1 527a_100016989147_100000185807 [0,2,0,0,0,0|2,0,0]=4 6070 B14R1.58 CCC(CC)CC(=O)c1ccccc1 1458a_100000185807_100011215472 [0,2,0,0,0,0|1,0,0]=3 6071 B14R1.58 CCC(CC)NC(=O)c1ccccc1 11a_100000199018_100000185807 [0,2,0,0,0,0|1,0,0]=3 6072 B14R1.58 CCC(CC)NC(=O)c1ccccc1 1626a_100000199018_100000185807 [0,2,0,0,0,0|1,0,0]=3 6073 B14R1.58 CCC(CC)NC(=O)c1ccccc1 240690a_100000199018_100000185807 [0,2,0,0,0,0|1,0,0]=3 6074 B14R1.58 CCC(CC)NC(=O)c1ccccc1 527a_100000199018_100000185807 [0,2,0,0,0,0|1,0,0]=3 6075 B14R1.58 CCC(CC)OC(C)c1ccccc1 7a_100000688536_100000230085 [0,2,0,0,0,0|1,0,1]=4 6076 B14R1.58 CCC(CC)O[C@H](C)c1ccccc1 7a_100000761318_100000210505 [0,2,0,0,0,0|1,0,1]=4 6077 B14R1.58 CCN(CC)CC(=O)c1ccccc1 269956a_100000042499_100000211460 [0,2,0,0,0,0|2,0,0]=4 6078 B14R1.58 CCN(CC)CC(=O)c1ccccc1 269982a_100000724800_100000211460 [0,2,0,0,0,0|2,0,0]=4 6079 B14R1.58 CC[C@@H](CO)NC(=O)c1ccccc1 240690a_100000709445_100000185807 [0,2,0,0,0,0|1,0,0]=3 6080 B14R1.58 CC[C@@H](CO)NC(=O)c1ccccc1 527a_100000709445_100000185807 [0,2,0,0,0,0|1,0,0]=3 6081 B14R1.58 COC(CC(=O)c1ccccc1)OC 1458a_100000185807_100000751394 [0,2,0,0,0,0|2,0,0]=4 6082 B14R1.58 O=C(NC(CO)CO)c1ccccc1 240690a_100000759517_100000185807 [0,2,0,0,0,0|2,0,0]=4 6083 B14R1.58 O=C(NC(CO)CO)c1ccccc1 527a_100000759517_100000185807 [0,2,0,0,0,0|2,0,0]=4 6084 B14R1.85 C=C(C(=O)C(C)CC)c1ccccc1 1458a_100000065200_100000758301 [0,2,0,0,0,0|2,0,0]=4 6085 B14R1.85 CC(CO)N(C)C(=O)c1ccccc1 240690a_100000693034_100000185807 [0,2,0,0,0,0|2,0,0]=4 6086 B14R1.85 CC(CO)N(C)C(=O)c1ccccc1 527a_100000693034_100000185807 [0,2,0,0,0,0|2,0,0]=4 6087 B14R1.85 CCC(=O)C(C)C(=O)c1ccccc1 1458a_100000185807_100000742827 [0,2,0,0,0,0|1,0,1]=4 6088 B14R1.85 CCC(=O)C(C)C(=O)c1ccccc1 1458a_100000210414_100000239700 [0,2,0,0,0,0|1,0,1]=4 6089 B14R1.85 CCC(C)N(C)C(=O)c1ccccc1 11a_100000741768_100000185807 [0,2,0,0,0,0|1,0,0]=3 6090 B14R1.85 CCC(C)N(C)C(=O)c1ccccc1 1626a_100000741768_100000185807 [0,2,0,0,0,0|1,0,0]=3 6091 B14R1.85 CCC(C)N(C)C(=O)c1ccccc1 240690a_100000741768_100000185807 [0,2,0,0,0,0|1,0,0]=3 6092 B14R1.85 CCC(C)N(C)C(=O)c1ccccc1 527a_100000741768_100000185807 [0,2,0,0,0,0|1,0,0]=3 6093 B14R1.85 CCN(C)C(C)C(=O)c1ccccc1 2230a_100000225621_100000239700 [0,2,0,0,0,0|2,0,0]=4 6094 B14R1.85 CCN(C)C(C)C(=O)c1ccccc1 269982a_100000225621_100000239700 [0,2,0,0,0,0|2,0,0]=4 6095 B14R1.290 CC(C)(CO)NC(=O)c1ccccc1 240690a_100000210608_100000185807 [0,2,0,0,0,0|2,0,0]=4 6096 B14R1.290 CC(C)(CO)NC(=O)c1ccccc1 527a_100020618417_100000185807 [0,2,0,0,0,0|2,0,0]=4 6097 B14R1.290 CCC(C)(C)NC(=O)c1ccccc1 11a_100000211385_100000185807 [0,2,0,0,0,0|1,0,0]=3 6098 B14R1.290 CCC(C)(C)NC(=O)c1ccccc1 1626a_100000211385_100000185807 [0,2,0,0,0,0|1,0,0]=3 6099 B14R1.290 CCC(C)(C)NC(=O)c1ccccc1 240690a_100000211385_100000185807 [0,2,0,0,0,0|1,0,0]=3 6100 B14R1.290 CCC(C)(C)NC(=O)c1ccccc1 527a_100000211385_100000185807 [0,2,0,0,0,0|1,0,0]=3 6101 B14R1.290 CCC(C)(C)OC(C)c1ccccc1 7a_100000210230_100000230085 [0,2,0,0,0,0|1,0,1]=4 6102 B14R1.290 CCC(C)(C)O[C@H](C)c1ccccc1 7a_100000761318_100000210677 [0,2,0,0,0,0|1,0,1]=4 6103 B14R1.290 CCS(=O)(=O)NC(=O)c1ccccc1 2740a_100000171174_100000185807 [0,2,0,0,0,0|2,0,0]=4 6104 B14R1.415 CC(=O)C(O)NC(=O)c1ccccc1 1458a_100000067094_200000210301 [0,2,0,0,0,0|1,0,1]=4 6105 B14R1.415 CC(=O)[C@@H](C)NC(=O)c1ccccc1 1458a_100011504567_200000210301 [0,2,0,0,0,0|1,0,1]=4 6106 B14R1.415 CC(=O)[C@@H](C)OC(=O)c1ccccc1 1458a_200035542198_200000210301 [0,2,0,0,0,0|0,0,1]=3 6107 B14R1.415 CC(C)C(=O)CC(=O)c1ccccc1 1458a_100000185807_100000753385 [0,2,0,0,0,0|1,0,1]=4 6108 B14R1.415 CC(C)C(=O)CC(=O)c1ccccc1 1458a_100000210198_100000211460 [0,2,0,0,0,0|1,0,1]=4 6109 B14R1.415 CC(C)C(C)NC(=O)c1ccccc1 11a_100000211541_100000185807 [0,2,0,0,0,0|1,0,0]=3 6110 B14R1.415 CC(C)C(C)NC(=O)c1ccccc1 1626a_100000211541_100000185807 [0,2,0,0,0,0|1,0,0]=3 6111 B14R1.415 CC(C)C(C)NC(=O)c1ccccc1 240690a_100000211541_100000185807 [0,2,0,0,0,0|1,0,0]=3 6112 B14R1.415 CC(C)C(C)NC(=O)c1ccccc1 527a_100000211541_100000185807 [0,2,0,0,0,0|1,0,0]=3 6113 B14R1.415 CC(C)N(C)CC(=O)c1ccccc1 269982a_200000211004_100000211460 [0,2,0,0,0,0|2,0,0]=4 6114 B14R1.415 CC(F)C(=O)CC(=O)c1ccccc1 1458a_100000062450_100000211460 [0,2,0,0,0,0|1,0,1]=4 6115 B14R1.415 CC(OC(C)C(C)C)c1ccccc1 7a_100000748068_100000230085 [0,2,0,0,0,0|1,0,1]=4 6116 B14R1.415 C[C@@H](NC(=O)c1ccccc1)C(=O)[13CH3] 1458a_100011504567_200025704644 [0,2,0,0,0,0|1,0,1]=4 6117 B14R1.415 C[C@@H](O)C(=O)CC(=O)c1ccccc1 1458a_100000717761_100000211460 [0,2,0,0,0,0|1,0,1]=4 6118 B14R1.415 C[C@@H](OC(=O)c1ccccc1)C(=O)[13CH3] 1458a_200035542198_200025704644 [0,2,0,0,0,0|0,0,1]=3 6119 B14R1.415 C[C@H](O)C(=O)CC(=O)c1ccccc1 1458a_217856618621_100000211460 [0,2,0,0,0,0|1,0,1]=4 6120 B14R1.415 [13CH3]C(=O)C(O)NC(=O)c1ccccc1 1458a_100000067094_200025704644 [0,2,0,0,0,0|1,0,1]=4 6121 B14R1.587 CCC(=O)CC(=O)c1ccccc1Br 1458a_100000188424_100000747405 [0,2,0,0,0,0|1,0,1]=4 6122 B14R1.587 CCC(=O)CC(=O)c1ccccc1Br 1458a_100000210414_100000199116 [0,2,0,0,0,0|1,0,1]=4 6123 B14R1.587 CCC(=O)CC(=O)c1ccccc1C 1458a_100000210414_100000741374 [0,2,0,0,0,0|1,0,1]=4 6124 B14R1.587 CCC(=O)CC(=O)c1ccccc1C 1458a_100000212026_100000747405 [0,2,0,0,0,0|1,0,1]=4 6125 B14R1.587 CCC(=O)CC(=O)c1ccccc1Cl 1458a_100000185844_100000747405 [0,2,0,0,0,0|1,0,1]=4 6126 B14R1.587 CCC(=O)CC(=O)c1ccccc1Cl 1458a_100000210414_100000211432 [0,2,0,0,0,0|1,0,1]=4 6127 B14R1.587 CCC(=O)CC(=O)c1ccccc1F 1458a_100000188656_100000747405 [0,2,0,0,0,0|1,0,1]=4 6128 B14R1.587 CCC(=O)CC(=O)c1ccccc1F 1458a_100000210414_100000204681 [0,2,0,0,0,0|1,0,1]=4 6129 B14R1.587 CCC(=O)CC(=O)c1ccccc1I 1458a_100000187884_100000747405 [0,2,0,0,0,0|1,0,1]=4 6130 B14R1.587 CCC(=O)CC(=O)c1ccccc1O 1458a_100000210414_100000188908 [0,2,0,0,0,0|1,0,1]=4 6131 B14R1.587 CCC(=O)CC(=O)c1ccccc1O 1458a_100015234032_100000747405 [0,2,0,0,0,0|1,0,1]=4 6132 B14R1.587 CCC(=O)CC(=O)c1ccccc1[O-] 1458a_100009911694_100000747405 [0,2,0,0,0,0|1,0,1]=4 6133 B14R1.587 CCC(C)CC(=O)c1ccccc1Br 1458a_100000188424_100000748023 [0,2,0,0,0,0|1,0,0]=3 6134 B14R1.587 CCC(C)CC(=O)c1ccccc1C 1458a_100000212026_100000748023 [0,2,0,0,0,0|1,0,0]=3 6135 B14R1.587 CCC(C)CC(=O)c1ccccc1Cl 1458a_100000185844_100000748023 [0,2,0,0,0,0|1,0,0]=3 6136 B14R1.587 CCC(C)CC(=O)c1ccccc1F 1458a_100000188656_100000748023 [0,2,0,0,0,0|1,0,0]=3 6137 B14R1.587 CCC(C)CC(=O)c1ccccc1I 1458a_100000187884_100000748023 [0,2,0,0,0,0|1,0,0]=3 6138 B14R1.587 CCC(C)CC(=O)c1ccccc1O 1458a_100015234032_100000748023 [0,2,0,0,0,0|1,0,0]=3 6139 B14R1.587 CCC(C)CC(=O)c1ccccc1[O-] 1458a_100009911694_100000748023 [0,2,0,0,0,0|1,0,0]=3 6140 B14R1.587 CCC(C)NC(=O)c1ccccc1Br 11a_100000209981_100000188424 [0,2,0,0,0,0|1,0,0]=3 6141 B14R1.587 CCC(C)NC(=O)c1ccccc1Br 1626a_100000209981_100000188424 [0,2,0,0,0,0|1,0,0]=3 6142 B14R1.587 CCC(C)NC(=O)c1ccccc1Br 240690a_100000209981_100000188424 [0,2,0,0,0,0|1,0,0]=3 6143 B14R1.587 CCC(C)NC(=O)c1ccccc1Br 527a_100000209981_100000188424 [0,2,0,0,0,0|1,0,0]=3 6144 B14R1.587 CCC(C)NC(=O)c1ccccc1C 11a_100000209981_100000212026 [0,2,0,0,0,0|1,0,0]=3 6145 B14R1.587 CCC(C)NC(=O)c1ccccc1C 1626a_100000209981_100000212026 [0,2,0,0,0,0|1,0,0]=3 6146 B14R1.587 CCC(C)NC(=O)c1ccccc1C 240690a_100000209981_100000212026 [0,2,0,0,0,0|1,0,0]=3 6147 B14R1.587 CCC(C)NC(=O)c1ccccc1C 527a_100000209981_100000212026 [0,2,0,0,0,0|1,0,0]=3 6148 B14R1.587 CCC(C)NC(=O)c1ccccc1Cl 11a_100000209981_100000185844 [0,2,0,0,0,0|1,0,0]=3 6149 B14R1.587 CCC(C)NC(=O)c1ccccc1Cl 1626a_100000209981_100000185844 [0,2,0,0,0,0|1,0,0]=3 6150 B14R1.587 CCC(C)NC(=O)c1ccccc1Cl 240690a_100000209981_100000185844 [0,2,0,0,0,0|1,0,0]=3 6151 B14R1.587 CCC(C)NC(=O)c1ccccc1Cl 527a_100000209981_100000185844 [0,2,0,0,0,0|1,0,0]=3 6152 B14R1.587 CCC(C)NC(=O)c1ccccc1F 11a_100000209981_100000188656 [0,2,0,0,0,0|1,0,0]=3 6153 B14R1.587 CCC(C)NC(=O)c1ccccc1F 1626a_100000209981_100000188656 [0,2,0,0,0,0|1,0,0]=3 6154 B14R1.587 CCC(C)NC(=O)c1ccccc1F 240690a_100000209981_100000188656 [0,2,0,0,0,0|1,0,0]=3 6155 B14R1.587 CCC(C)NC(=O)c1ccccc1F 527a_100000209981_100000188656 [0,2,0,0,0,0|1,0,0]=3 6156 B14R1.587 CCC(C)NC(=O)c1ccccc1I 11a_100000209981_100000187884 [0,2,0,0,0,0|1,0,0]=3 6157 B14R1.587 CCC(C)NC(=O)c1ccccc1I 1626a_100000209981_100000187884 [0,2,0,0,0,0|1,0,0]=3 6158 B14R1.587 CCC(C)NC(=O)c1ccccc1I 240690a_100000209981_100000187884 [0,2,0,0,0,0|1,0,0]=3 6159 B14R1.587 CCC(C)NC(=O)c1ccccc1I 527a_100000209981_100000187884 [0,2,0,0,0,0|1,0,0]=3 6160 B14R1.587 CCC(C)NC(=O)c1ccccc1O 240690a_100000209981_100015234032 [0,2,0,0,0,0|1,0,0]=3 6161 B14R1.587 CCC(C)NC(=O)c1ccccc1O 271570a_203496583355_200000152809 [0,2,0,0,0,0|1,0,0]=3 6162 B14R1.587 CCC(C)NC(=O)c1ccccc1[O-] 1626a_100000209981_100009911694 [0,2,0,0,0,0|1,0,0]=3 6163 B14R1.587 CCC(C)NC(=O)c1ccccc1[O-] 240690a_100000209981_100009911694 [0,2,0,0,0,0|1,0,0]=3 6164 B14R1.587 CCC(C)NC(=O)c1ccccc1[O-] 527a_100000209981_100009911694 [0,2,0,0,0,0|1,0,0]=3 6165 B14R1.587 CCC(C)OC(C)c1ccccc1Br 34a_100000702211_100011215416 [0,2,0,0,0,0|1,0,1]=4 6166 B14R1.587 CCC(C)OC(C)c1ccccc1Br 7a_100000702211_100000758301 [0,2,0,0,0,0|1,0,1]=4 6167 B14R1.587 CCC(C)OC(C)c1ccccc1C 34a_100000742021_100011215416 [0,2,0,0,0,0|1,0,1]=4 6168 B14R1.587 CCC(C)OC(C)c1ccccc1C 7a_100000742021_100000758301 [0,2,0,0,0,0|1,0,1]=4 6169 B14R1.587 CCC(C)OC(C)c1ccccc1Cl 34a_100000740796_100011215416 [0,2,0,0,0,0|1,0,1]=4 6170 B14R1.587 CCC(C)OC(C)c1ccccc1Cl 7a_100000210228_100000181259 [0,2,0,0,0,0|1,0,1]=4 6171 B14R1.587 CCC(C)OC(C)c1ccccc1Cl 7a_100000740796_100000758301 [0,2,0,0,0,0|1,0,1]=4 6172 B14R1.587 CCC(C)OC(C)c1ccccc1F 34a_100000697922_100011215416 [0,2,0,0,0,0|1,0,1]=4 6173 B14R1.587 CCC(C)OC(C)c1ccccc1F 7a_100000210228_200000741388 [0,2,0,0,0,0|1,0,1]=4 6174 B14R1.587 CCC(C)OC(C)c1ccccc1F 7a_100000697922_100000758301 [0,2,0,0,0,0|1,0,1]=4 6175 B14R1.587 CCC(C)OC(C)c1ccccc1N 7a_100011405641_100000758301 [0,2,0,0,0,0|1,0,1]=4 6176 B14R1.587 CCC(O)CC(=O)c1ccccc1Br 1458a_100000188424_100011218378 [0,2,0,0,0,0|1,0,0]=3 6177 B14R1.587 CCC(O)CC(=O)c1ccccc1C 1458a_100000212026_100011218378 [0,2,0,0,0,0|1,0,0]=3 6178 B14R1.587 CCC(O)CC(=O)c1ccccc1Cl 1458a_100000185844_100011218378 [0,2,0,0,0,0|1,0,0]=3 6179 B14R1.587 CCC(O)CC(=O)c1ccccc1F 1458a_100000188656_100011218378 [0,2,0,0,0,0|1,0,0]=3 6180 B14R1.587 CCC(O)CC(=O)c1ccccc1I 1458a_100000187884_100011218378 [0,2,0,0,0,0|1,0,0]=3 6181 B14R1.587 CCC(O)CC(=O)c1ccccc1O 1458a_100015234032_100011218378 [0,2,0,0,0,0|1,0,0]=3 6182 B14R1.587 CCC(O)CC(=O)c1ccccc1[O-] 1458a_100009911694_100011218378 [0,2,0,0,0,0|1,0,0]=3 6183 B14R1.587 CCN(C)CC(=O)c1ccccc1Br 269982a_100000225621_100000199116 [0,2,0,0,0,0|2,0,0]=4 6184 B14R1.587 CCN(C)CC(=O)c1ccccc1C 2230a_100000225621_100000741374 [0,2,0,0,0,0|2,0,0]=4 6185 B14R1.587 CCN(C)CC(=O)c1ccccc1C 269982a_100000225621_100000741374 [0,2,0,0,0,0|2,0,0]=4 6186 B14R1.587 CCN(C)CC(=O)c1ccccc1Cl 269982a_100000225621_100000211432 [0,2,0,0,0,0|2,0,0]=4 6187 B14R1.587 CCN(C)CC(=O)c1ccccc1F 269982a_100000225621_100000204681 [0,2,0,0,0,0|2,0,0]=4 6188 B14R1.587 CCN(C)CC(=O)c1ccccc1O 269982a_100000225621_100000188908 [0,2,0,0,0,0|2,0,0]=4 6189 B14R1.587 CC[C@H](C)CC(=O)c1ccccc1Br 1458a_100000188424_100009816398 [0,2,0,0,0,0|1,0,0]=3 6190 B14R1.587 CC[C@H](C)CC(=O)c1ccccc1C 1458a_100000212026_100009816398 [0,2,0,0,0,0|1,0,0]=3 6191 B14R1.587 CC[C@H](C)CC(=O)c1ccccc1Cl 1458a_100000185844_100009816398 [0,2,0,0,0,0|1,0,0]=3 6192 B14R1.587 CC[C@H](C)CC(=O)c1ccccc1F 1458a_100000188656_100009816398 [0,2,0,0,0,0|1,0,0]=3 6193 B14R1.587 CC[C@H](C)CC(=O)c1ccccc1I 1458a_100000187884_100009816398 [0,2,0,0,0,0|1,0,0]=3 6194 B14R1.587 CC[C@H](C)CC(=O)c1ccccc1O 1458a_100015234032_100009816398 [0,2,0,0,0,0|1,0,0]=3 6195 B14R1.587 CC[C@H](C)CC(=O)c1ccccc1[O-] 1458a_100009911694_100009816398 [0,2,0,0,0,0|1,0,0]=3 6196 B14R1.587 C[C@@H](CO)CC(=O)c1ccccc1Br 1458a_100000188424_100000059175 [0,2,0,0,0,0|2,0,0]=4 6197 B14R1.587 C[C@@H](CO)CC(=O)c1ccccc1Cl 1458a_100000185844_100000059175 [0,2,0,0,0,0|2,0,0]=4 6198 B14R1.587 C[C@@H](CO)CC(=O)c1ccccc1F 1458a_100000188656_100000059175 [0,2,0,0,0,0|2,0,0]=4 6199 B14R1.587 C[C@@H](CO)CC(=O)c1ccccc1I 1458a_100000187884_100000059175 [0,2,0,0,0,0|2,0,0]=4 6200 B14R1.587 C[C@@H](CO)CC(=O)c1ccccc1O 1458a_100015234032_100000059175 [0,2,0,0,0,0|2,0,0]=4 6201 B14R1.587 C[C@@H](CO)CC(=O)c1ccccc1[O-] 1458a_100009911694_100000059175 [0,2,0,0,0,0|2,0,0]=4 6202 B14R1.587 C[C@H](CF)NC(=O)c1ccccc1Br 11a_100102880703_100000188424 [0,2,0,0,0,0|2,0,0]=4 6203 B14R1.587 C[C@H](CF)NC(=O)c1ccccc1Br 1626a_100102880703_100000188424 [0,2,0,0,0,0|2,0,0]=4 6204 B14R1.587 C[C@H](CF)NC(=O)c1ccccc1Br 240690a_100102880703_100000188424 [0,2,0,0,0,0|2,0,0]=4 6205 B14R1.587 C[C@H](CF)NC(=O)c1ccccc1Br 527a_100102880703_100000188424 [0,2,0,0,0,0|2,0,0]=4 6206 B14R1.587 C[C@H](CF)NC(=O)c1ccccc1Cl 11a_100102880703_100000185844 [0,2,0,0,0,0|2,0,0]=4 6207 B14R1.587 C[C@H](CF)NC(=O)c1ccccc1Cl 1626a_100102880703_100000185844 [0,2,0,0,0,0|2,0,0]=4 6208 B14R1.587 C[C@H](CF)NC(=O)c1ccccc1Cl 240690a_100102880703_100000185844 [0,2,0,0,0,0|2,0,0]=4 6209 B14R1.587 C[C@H](CF)NC(=O)c1ccccc1Cl 527a_100102880703_100000185844 [0,2,0,0,0,0|2,0,0]=4 6210 B14R1.587 C[C@H](CF)NC(=O)c1ccccc1F 11a_100102880703_100000188656 [0,2,0,0,0,0|2,0,0]=4 6211 B14R1.587 C[C@H](CF)NC(=O)c1ccccc1F 1626a_100102880703_100000188656 [0,2,0,0,0,0|2,0,0]=4 6212 B14R1.587 C[C@H](CF)NC(=O)c1ccccc1F 240690a_100102880703_100000188656 [0,2,0,0,0,0|2,0,0]=4 6213 B14R1.587 C[C@H](CF)NC(=O)c1ccccc1F 527a_100102880703_100000188656 [0,2,0,0,0,0|2,0,0]=4 6214 B14R1.587 C[C@H](CF)NC(=O)c1ccccc1I 11a_100102880703_100000187884 [0,2,0,0,0,0|2,0,0]=4 6215 B14R1.587 C[C@H](CF)NC(=O)c1ccccc1I 1626a_100102880703_100000187884 [0,2,0,0,0,0|2,0,0]=4 6216 B14R1.587 C[C@H](CF)NC(=O)c1ccccc1I 240690a_100102880703_100000187884 [0,2,0,0,0,0|2,0,0]=4 6217 B14R1.587 C[C@H](CF)NC(=O)c1ccccc1I 527a_100102880703_100000187884 [0,2,0,0,0,0|2,0,0]=4 6218 B14R1.587 C[C@H](CF)NC(=O)c1ccccc1O 240690a_100102880703_100015234032 [0,2,0,0,0,0|2,0,0]=4 6219 B14R1.587 C[C@H](CF)NC(=O)c1ccccc1[O-] 1626a_100102880703_100009911694 [0,2,0,0,0,0|2,0,0]=4 6220 B14R1.587 C[C@H](CF)NC(=O)c1ccccc1[O-] 240690a_100102880703_100009911694 [0,2,0,0,0,0|2,0,0]=4 6221 B14R1.587 C[C@H](CF)NC(=O)c1ccccc1[O-] 527a_100102880703_100009911694 [0,2,0,0,0,0|2,0,0]=4 6222 B14R1.587 C[C@H](CO)NC(=O)c1ccccc1Br 240690a_100000737577_100000188424 [0,2,0,0,0,0|2,0,0]=4 6223 B14R1.587 C[C@H](CO)NC(=O)c1ccccc1Br 527a_100000737577_100000188424 [0,2,0,0,0,0|2,0,0]=4 6224 B14R1.587 C[C@H](CO)NC(=O)c1ccccc1Cl 240690a_100000737577_100000185844 [0,2,0,0,0,0|2,0,0]=4 6225 B14R1.587 C[C@H](CO)NC(=O)c1ccccc1Cl 527a_100000737577_100000185844 [0,2,0,0,0,0|2,0,0]=4 6226 B14R1.587 C[C@H](CO)NC(=O)c1ccccc1F 240690a_100000737577_100000188656 [0,2,0,0,0,0|2,0,0]=4 6227 B14R1.587 C[C@H](CO)NC(=O)c1ccccc1F 527a_100000737577_100000188656 [0,2,0,0,0,0|2,0,0]=4 6228 B14R1.587 C[C@H](CO)NC(=O)c1ccccc1I 240690a_100000737577_100000187884 [0,2,0,0,0,0|2,0,0]=4 6229 B14R1.587 C[C@H](CO)NC(=O)c1ccccc1I 527a_100000737577_100000187884 [0,2,0,0,0,0|2,0,0]=4 6230 B14R1.587 C[C@H](CO)NC(=O)c1ccccc1O 240690a_100000737577_100015234032 [0,2,0,0,0,0|2,0,0]=4 6231 B14R1.587 C[C@H](CO)NC(=O)c1ccccc1[O-] 240690a_100000737577_100009911694 [0,2,0,0,0,0|2,0,0]=4 6232 B14R1.587 C[C@H](CO)NC(=O)c1ccccc1[O-] 527a_100000737577_100009911694 [0,2,0,0,0,0|2,0,0]=4 6233 B14R1.587 Cc1ccccc1C(=O)C[C@@H](C)CO 1458a_100000212026_100000059175 [0,2,0,0,0,0|2,0,0]=4 6234 B14R1.587 Cc1ccccc1C(=O)N[C@H](C)CF 11a_100102880703_100000212026 [0,2,0,0,0,0|2,0,0]=4 6235 B14R1.587 Cc1ccccc1C(=O)N[C@H](C)CF 1626a_100102880703_100000212026 [0,2,0,0,0,0|2,0,0]=4 6236 B14R1.587 Cc1ccccc1C(=O)N[C@H](C)CF 240690a_100102880703_100000212026 [0,2,0,0,0,0|2,0,0]=4 6237 B14R1.587 Cc1ccccc1C(=O)N[C@H](C)CF 527a_100102880703_100000212026 [0,2,0,0,0,0|2,0,0]=4 6238 B14R1.587 Cc1ccccc1C(=O)N[C@H](C)CO 240690a_100000737577_100000212026 [0,2,0,0,0,0|2,0,0]=4 6239 B14R1.587 Cc1ccccc1C(=O)N[C@H](C)CO 527a_100000737577_100000212026 [0,2,0,0,0,0|2,0,0]=4 6240 B14R1.741 CCC(C)NS(=O)(=O)c1ccccc1 270084a_100000209981_100000210345 [0,2,0,0,0,0|2,0,0]=4 6241 B14R1.741 CCC(C)NS(=O)(=O)c1ccccc1 274078a_100000209981_100000210345 [0,2,0,0,0,0|2,0,0]=4 6242 B14R1.741 CCC(C)NS(=O)(=O)c1ccccc1 40a_100000209981_100000032697 [0,2,0,0,0,0|2,0,0]=4 6243 B14R1.741 CCC(C)OC(C)(C)c1ccccc1 7a_100000694644_100000758301 [0,2,0,0,0,0|1,0,1]=4 6244 B14R1.741 CCC(C)OC(F)(F)c1ccccc1 7a_100000210228_100000036403 [0,2,0,0,0,0|1,0,1]=4 6245 B14R1.3297 C#CC(OC(C)CC)c1ccccc1 34a_100011219616_100011215416 [0,2,0,0,0,0|1,0,1]=4 6246 B14R1.3297 C#CC(OC(C)CC)c1ccccc1 7a_100011219616_100000758301 [0,2,0,0,0,0|1,0,1]=4 6247 B14R1.3297 C=CC(OC(C)CC)c1ccccc1 34a_100011215659_100011215416 [0,2,0,0,0,0|1,0,1]=4 6248 B14R1.3297 C=CC(OC(C)CC)c1ccccc1 7a_100011215659_100000758301 [0,2,0,0,0,0|1,0,1]=4 6249 B14R1.3297 CCC(C)OC(C#N)c1ccccc1 7a_100011217353_100000758301 [0,2,0,0,0,0|1,0,1]=4 6250 B14R1.3297 CCC(C)OC(CBr)c1ccccc1 7a_100000185958_100000758301 [0,2,0,0,0,0|1,0,1]=4 6251 B14R1.3297 CCC(C)OC(CC)c1ccccc1 34a_100000698172_100011215416 [0,2,0,0,0,0|1,0,1]=4 6252 B14R1.3297 CCC(C)OC(CC)c1ccccc1 7a_100000698172_100000758301 [0,2,0,0,0,0|1,0,1]=4 6253 B14R1.3297 CCC(C)OC(CN)c1ccccc1 34a_100000210709_100011215416 [0,2,0,0,0,0|1,0,1]=4 6254 B14R1.3297 CCC(C)O[C@H](CCl)c1ccccc1 34a_100011933945_100011215416 [0,2,0,0,0,0|1,0,1]=4 6255 B14R1.3297 CCC(C)O[C@H](CCl)c1ccccc1 7a_100011933945_100000758301 [0,2,0,0,0,0|1,0,1]=4 6256 B14R1.19 C#CCCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000731252 [0,2,0,0,0,0|1,0,1]=4 6257 B14R1.19 C#CCCCC(=O)c1ccc(cc1)C 1458a_100000188618_100000731252 [0,2,0,0,0,0|1,0,1]=4 6258 B14R1.19 C#CCCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000731252 [0,2,0,0,0,0|1,0,1]=4 6259 B14R1.19 C#CCCCC(=O)c1ccc(cc1)F 1458a_100000187176_100000731252 [0,2,0,0,0,0|1,0,1]=4 6260 B14R1.19 C#CCCCC(=O)c1ccc(cc1)I 1458a_100000187904_100000731252 [0,2,0,0,0,0|1,0,1]=4 6261 B14R1.19 C#CCCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000731252 [0,2,0,0,0,0|1,0,1]=4 6262 B14R1.19 C#CCCNC(=O)c1ccc(cc1)Br 11a_100000755551_100000185839 [0,2,0,0,0,0|1,0,1]=4 6263 B14R1.19 C#CCCNC(=O)c1ccc(cc1)Br 1626a_100000755551_100000185839 [0,2,0,0,0,0|1,0,1]=4 6264 B14R1.19 C#CCCNC(=O)c1ccc(cc1)Br 240690a_100000755551_100000185839 [0,2,0,0,0,0|1,0,1]=4 6265 B14R1.19 C#CCCNC(=O)c1ccc(cc1)Br 527a_100000755551_100000185839 [0,2,0,0,0,0|1,0,1]=4 6266 B14R1.19 C#CCCNC(=O)c1ccc(cc1)C 11a_100000755551_100000188618 [0,2,0,0,0,0|1,0,1]=4 6267 B14R1.19 C#CCCNC(=O)c1ccc(cc1)C 1626a_100000755551_100000188618 [0,2,0,0,0,0|1,0,1]=4 6268 B14R1.19 C#CCCNC(=O)c1ccc(cc1)C 240690a_100000755551_100000188618 [0,2,0,0,0,0|1,0,1]=4 6269 B14R1.19 C#CCCNC(=O)c1ccc(cc1)C 527a_100000755551_100000188618 [0,2,0,0,0,0|1,0,1]=4 6270 B14R1.19 C#CCCNC(=O)c1ccc(cc1)Cl 11a_100000755551_100000210187 [0,2,0,0,0,0|1,0,1]=4 6271 B14R1.19 C#CCCNC(=O)c1ccc(cc1)Cl 1626a_100000755551_100000210187 [0,2,0,0,0,0|1,0,1]=4 6272 B14R1.19 C#CCCNC(=O)c1ccc(cc1)Cl 240690a_100000755551_100000210187 [0,2,0,0,0,0|1,0,1]=4 6273 B14R1.19 C#CCCNC(=O)c1ccc(cc1)Cl 527a_100000755551_100000210187 [0,2,0,0,0,0|1,0,1]=4 6274 B14R1.19 C#CCCNC(=O)c1ccc(cc1)F 11a_100000755551_100000187176 [0,2,0,0,0,0|1,0,1]=4 6275 B14R1.19 C#CCCNC(=O)c1ccc(cc1)F 1626a_100000755551_100000187176 [0,2,0,0,0,0|1,0,1]=4 6276 B14R1.19 C#CCCNC(=O)c1ccc(cc1)F 240690a_100000755551_100000187176 [0,2,0,0,0,0|1,0,1]=4 6277 B14R1.19 C#CCCNC(=O)c1ccc(cc1)F 527a_100000755551_100000187176 [0,2,0,0,0,0|1,0,1]=4 6278 B14R1.19 C#CCCNC(=O)c1ccc(cc1)I 11a_100000755551_100000187904 [0,2,0,0,0,0|1,0,1]=4 6279 B14R1.19 C#CCCNC(=O)c1ccc(cc1)I 1626a_100000755551_100000187904 [0,2,0,0,0,0|1,0,1]=4 6280 B14R1.19 C#CCCNC(=O)c1ccc(cc1)I 240690a_100000755551_100000187904 [0,2,0,0,0,0|1,0,1]=4 6281 B14R1.19 C#CCCNC(=O)c1ccc(cc1)I 527a_100000755551_100000187904 [0,2,0,0,0,0|1,0,1]=4 6282 B14R1.19 C#CCCNC(=O)c1ccc(cc1)O 240690a_100000755551_100000212099 [0,2,0,0,0,0|1,0,1]=4 6283 B14R1.19 C#CCCNC(=O)c1ccc(cc1)O 527a_100000755551_100000212099 [0,2,0,0,0,0|1,0,1]=4 6284 B14R1.19 C#CCOCC(=O)c1ccc(cc1)Br 34a_100000210247_100000188085 [0,2,0,0,0,0|0,0,2]=4 6285 B14R1.19 C#CCOCC(=O)c1ccc(cc1)C 34a_100000210247_100000211441 [0,2,0,0,0,0|0,0,2]=4 6286 B14R1.19 C#CCOCC(=O)c1ccc(cc1)F 34a_100000246311_100000184674 [0,2,0,0,0,0|0,0,2]=4 6287 B14R1.19 C#CCOCC(=O)c1ccc(cc1)I 34a_100000210247_100011216261 [0,2,0,0,0,0|0,0,2]=4 6288 B14R1.19 C#CCOCC(=O)c1ccc(cc1)O 34a_100000210247_100009814261 [0,2,0,0,0,0|0,0,2]=4 6289 B14R1.19 C=CCCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000757094 [0,2,0,0,0,0|1,0,1]=4 6290 B14R1.19 C=CCCCC(=O)c1ccc(cc1)C 1458a_100000188618_100000757094 [0,2,0,0,0,0|1,0,1]=4 6291 B14R1.19 C=CCCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000757094 [0,2,0,0,0,0|1,0,1]=4 6292 B14R1.19 C=CCCCC(=O)c1ccc(cc1)F 1458a_100000187176_100000757094 [0,2,0,0,0,0|1,0,1]=4 6293 B14R1.19 C=CCCCC(=O)c1ccc(cc1)I 1458a_100000187904_100000757094 [0,2,0,0,0,0|1,0,1]=4 6294 B14R1.19 C=CCCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000757094 [0,2,0,0,0,0|1,0,1]=4 6295 B14R1.19 C=CCCNC(=O)c1ccc(cc1)Br 11a_100015191253_100000185839 [0,2,0,0,0,0|1,0,1]=4 6296 B14R1.19 C=CCCNC(=O)c1ccc(cc1)Br 1626a_100015191253_100000185839 [0,2,0,0,0,0|1,0,1]=4 6297 B14R1.19 C=CCCNC(=O)c1ccc(cc1)Br 240690a_100015191253_100000185839 [0,2,0,0,0,0|1,0,1]=4 6298 B14R1.19 C=CCCNC(=O)c1ccc(cc1)Br 527a_100015191253_100000185839 [0,2,0,0,0,0|1,0,1]=4 6299 B14R1.19 C=CCCNC(=O)c1ccc(cc1)C 11a_100015191253_100000188618 [0,2,0,0,0,0|1,0,1]=4 6300 B14R1.19 C=CCCNC(=O)c1ccc(cc1)C 1626a_100015191253_100000188618 [0,2,0,0,0,0|1,0,1]=4 6301 B14R1.19 C=CCCNC(=O)c1ccc(cc1)C 240690a_100015191253_100000188618 [0,2,0,0,0,0|1,0,1]=4 6302 B14R1.19 C=CCCNC(=O)c1ccc(cc1)C 527a_100015191253_100000188618 [0,2,0,0,0,0|1,0,1]=4 6303 B14R1.19 C=CCCNC(=O)c1ccc(cc1)Cl 11a_100015191253_100000210187 [0,2,0,0,0,0|1,0,1]=4 6304 B14R1.19 C=CCCNC(=O)c1ccc(cc1)Cl 1626a_100015191253_100000210187 [0,2,0,0,0,0|1,0,1]=4 6305 B14R1.19 C=CCCNC(=O)c1ccc(cc1)Cl 240690a_100015191253_100000210187 [0,2,0,0,0,0|1,0,1]=4 6306 B14R1.19 C=CCCNC(=O)c1ccc(cc1)Cl 527a_100015191253_100000210187 [0,2,0,0,0,0|1,0,1]=4 6307 B14R1.19 C=CCCNC(=O)c1ccc(cc1)F 11a_100015191253_100000187176 [0,2,0,0,0,0|1,0,1]=4 6308 B14R1.19 C=CCCNC(=O)c1ccc(cc1)F 1626a_100015191253_100000187176 [0,2,0,0,0,0|1,0,1]=4 6309 B14R1.19 C=CCCNC(=O)c1ccc(cc1)F 240690a_100015191253_100000187176 [0,2,0,0,0,0|1,0,1]=4 6310 B14R1.19 C=CCCNC(=O)c1ccc(cc1)F 527a_100015191253_100000187176 [0,2,0,0,0,0|1,0,1]=4 6311 B14R1.19 C=CCCNC(=O)c1ccc(cc1)I 11a_100015191253_100000187904 [0,2,0,0,0,0|1,0,1]=4 6312 B14R1.19 C=CCCNC(=O)c1ccc(cc1)I 1626a_100015191253_100000187904 [0,2,0,0,0,0|1,0,1]=4 6313 B14R1.19 C=CCCNC(=O)c1ccc(cc1)I 240690a_100015191253_100000187904 [0,2,0,0,0,0|1,0,1]=4 6314 B14R1.19 C=CCCNC(=O)c1ccc(cc1)I 527a_100015191253_100000187904 [0,2,0,0,0,0|1,0,1]=4 6315 B14R1.19 C=CCCNC(=O)c1ccc(cc1)O 240690a_100015191253_100000212099 [0,2,0,0,0,0|1,0,1]=4 6316 B14R1.19 C=CCCNC(=O)c1ccc(cc1)O 527a_100015191253_100000212099 [0,2,0,0,0,0|1,0,1]=4 6317 B14R1.19 C=CCOCC(=O)c1ccc(cc1)Br 34a_200000210373_100000188085 [0,2,0,0,0,0|0,0,2]=4 6318 B14R1.19 C=CCOCC(=O)c1ccc(cc1)C 34a_200000210373_100000211441 [0,2,0,0,0,0|0,0,2]=4 6319 B14R1.19 C=CCOCC(=O)c1ccc(cc1)F 34a_100000246311_100015514636 [0,2,0,0,0,0|0,0,2]=4 6320 B14R1.19 C=CCOCC(=O)c1ccc(cc1)I 34a_200000210373_100011216261 [0,2,0,0,0,0|0,0,2]=4 6321 B14R1.19 C=CCOCC(=O)c1ccc(cc1)O 34a_200000210373_100009814261 [0,2,0,0,0,0|0,0,2]=4 6322 B14R1.19 CC#CCNC(=O)c1ccc(cc1)Br 11a_100000685387_100000185839 [0,2,0,0,0,0|1,0,1]=4 6323 B14R1.19 CC#CCNC(=O)c1ccc(cc1)Br 1626a_100000685387_100000185839 [0,2,0,0,0,0|1,0,1]=4 6324 B14R1.19 CC#CCNC(=O)c1ccc(cc1)Br 527a_100000685387_100000185839 [0,2,0,0,0,0|1,0,1]=4 6325 B14R1.19 CC#CCNC(=O)c1ccc(cc1)C 11a_100000685387_100000188618 [0,2,0,0,0,0|1,0,1]=4 6326 B14R1.19 CC#CCNC(=O)c1ccc(cc1)C 1626a_100000685387_100000188618 [0,2,0,0,0,0|1,0,1]=4 6327 B14R1.19 CC#CCNC(=O)c1ccc(cc1)C 527a_100000685387_100000188618 [0,2,0,0,0,0|1,0,1]=4 6328 B14R1.19 CC#CCNC(=O)c1ccc(cc1)Cl 11a_100000685387_100000210187 [0,2,0,0,0,0|1,0,1]=4 6329 B14R1.19 CC#CCNC(=O)c1ccc(cc1)Cl 1626a_100000685387_100000210187 [0,2,0,0,0,0|1,0,1]=4 6330 B14R1.19 CC#CCNC(=O)c1ccc(cc1)Cl 527a_100000685387_100000210187 [0,2,0,0,0,0|1,0,1]=4 6331 B14R1.19 CC#CCNC(=O)c1ccc(cc1)F 11a_100000685387_100000187176 [0,2,0,0,0,0|1,0,1]=4 6332 B14R1.19 CC#CCNC(=O)c1ccc(cc1)F 1626a_100000685387_100000187176 [0,2,0,0,0,0|1,0,1]=4 6333 B14R1.19 CC#CCNC(=O)c1ccc(cc1)F 527a_100000685387_100000187176 [0,2,0,0,0,0|1,0,1]=4 6334 B14R1.19 CC#CCNC(=O)c1ccc(cc1)I 11a_100000685387_100000187904 [0,2,0,0,0,0|1,0,1]=4 6335 B14R1.19 CC#CCNC(=O)c1ccc(cc1)I 1626a_100000685387_100000187904 [0,2,0,0,0,0|1,0,1]=4 6336 B14R1.19 CC#CCNC(=O)c1ccc(cc1)I 527a_100000685387_100000187904 [0,2,0,0,0,0|1,0,1]=4 6337 B14R1.19 CC#CCNC(=O)c1ccc(cc1)O 527a_100000685387_100000212099 [0,2,0,0,0,0|1,0,1]=4 6338 B14R1.19 CC(OCCCBr)c1ccc(cc1)Br 34a_100011217188_100000755118 [0,2,0,0,0,0|1,0,1]=4 6339 B14R1.19 CC(OCCCBr)c1ccc(cc1)F 34a_100011217188_100000743420 [0,2,0,0,0,0|1,0,1]=4 6340 B14R1.19 CC(OCCCCl)c1ccc(cc1)Br 34a_100000230001_100000755118 [0,2,0,0,0,0|1,0,1]=4 6341 B14R1.19 CC(OCCCCl)c1ccc(cc1)F 34a_100000230001_100000743420 [0,2,0,0,0,0|1,0,1]=4 6342 B14R1.19 CC(OCCCF)c1ccc(cc1)Br 34a_100000745893_100011934791 [0,2,0,0,0,0|1,0,1]=4 6343 B14R1.19 CC(OCCCF)c1ccc(cc1)Br 34a_100000759539_100000755118 [0,2,0,0,0,0|1,0,1]=4 6344 B14R1.19 CC(OCCCF)c1ccc(cc1)Br 7a_100000745893_100011934791 [0,2,0,0,0,0|1,0,1]=4 6345 B14R1.19 CC(OCCCF)c1ccc(cc1)F 34a_100000181323_100011934791 [0,2,0,0,0,0|1,0,1]=4 6346 B14R1.19 CC(OCCCF)c1ccc(cc1)F 34a_100000759539_100000743420 [0,2,0,0,0,0|1,0,1]=4 6347 B14R1.19 CC(OCCCF)c1ccc(cc1)F 7a_100000181323_100011934791 [0,2,0,0,0,0|1,0,1]=4 6348 B14R1.19 CC(OCCCF)c1ccc(cc1)N 34a_100011216399_100011934791 [0,2,0,0,0,0|1,0,1]=4 6349 B14R1.19 CC(OCCCN)c1ccc(cc1)Br 34a_100000182051_100000755118 [0,2,0,0,0,0|1,0,1]=4 6350 B14R1.19 CC(OCCCN)c1ccc(cc1)F 34a_100000182051_100000743420 [0,2,0,0,0,0|1,0,1]=4 6351 B14R1.19 CC(OCCCO)c1ccc(cc1)Br 34a_100000745893_100000230001 [0,2,0,0,0,0|1,0,1]=4 6352 B14R1.19 CC(OCCCO)c1ccc(cc1)Br 7a_100000745893_100011215043 [0,2,0,0,0,0|1,0,1]=4 6353 B14R1.19 CC(OCCCO)c1ccc(cc1)F 34a_100000181323_100000230001 [0,2,0,0,0,0|1,0,1]=4 6354 B14R1.19 CC(OCCCO)c1ccc(cc1)F 7a_100000181323_100011215043 [0,2,0,0,0,0|1,0,1]=4 6355 B14R1.19 CC(OCCCO)c1ccc(cc1)N 34a_100011216399_100000230001 [0,2,0,0,0,0|1,0,1]=4 6356 B14R1.19 CC/C=C\CC(=O)c1ccc(cc1)Br 1458a_100000185839_100103147603 [0,2,0,0,0,0|1,0,1]=4 6357 B14R1.19 CC/C=C\CC(=O)c1ccc(cc1)C 1458a_100000188618_100103147603 [0,2,0,0,0,0|1,0,1]=4 6358 B14R1.19 CC/C=C\CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100103147603 [0,2,0,0,0,0|1,0,1]=4 6359 B14R1.19 CC/C=C\CC(=O)c1ccc(cc1)F 1458a_100000187176_100103147603 [0,2,0,0,0,0|1,0,1]=4 6360 B14R1.19 CC/C=C\CC(=O)c1ccc(cc1)I 1458a_100000187904_100103147603 [0,2,0,0,0,0|1,0,1]=4 6361 B14R1.19 CC/C=C\CC(=O)c1ccc(cc1)O 1458a_100000212099_100103147603 [0,2,0,0,0,0|1,0,1]=4 6362 B14R1.19 CCC#CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100009813939 [0,2,0,0,0,0|1,0,1]=4 6363 B14R1.19 CCC#CCC(=O)c1ccc(cc1)C 1458a_100000188618_100009813939 [0,2,0,0,0,0|1,0,1]=4 6364 B14R1.19 CCC#CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100009813939 [0,2,0,0,0,0|1,0,1]=4 6365 B14R1.19 CCC#CCC(=O)c1ccc(cc1)F 1458a_100000187176_100009813939 [0,2,0,0,0,0|1,0,1]=4 6366 B14R1.19 CCC#CCC(=O)c1ccc(cc1)I 1458a_100000187904_100009813939 [0,2,0,0,0,0|1,0,1]=4 6367 B14R1.19 CCC#CCC(=O)c1ccc(cc1)O 1458a_100000212099_100009813939 [0,2,0,0,0,0|1,0,1]=4 6368 B14R1.19 CCC=NNC(=O)c1ccc(cc1)Br 4a_100000183614_100000210100 [0,2,0,0,0,0|1,0,1]=4 6369 B14R1.19 CCC=NNC(=O)c1ccc(cc1)C 4a_100000189790_100000210100 [0,2,0,0,0,0|1,0,1]=4 6370 B14R1.19 CCC=NNC(=O)c1ccc(cc1)Cl 4a_100000184390_100000210100 [0,2,0,0,0,0|1,0,1]=4 6371 B14R1.19 CCC=NNC(=O)c1ccc(cc1)F 4a_100000182866_100000210100 [0,2,0,0,0,0|1,0,1]=4 6372 B14R1.19 CCC=NNC(=O)c1ccc(cc1)I 4a_100000189773_100000210100 [0,2,0,0,0,0|1,0,1]=4 6373 B14R1.19 CCCCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210326 [0,2,0,0,0,0|1,0,0]=3 6374 B14R1.19 CCCCCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210326 [0,2,0,0,0,0|1,0,0]=3 6375 B14R1.19 CCCCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210326 [0,2,0,0,0,0|1,0,0]=3 6376 B14R1.19 CCCCCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210326 [0,2,0,0,0,0|1,0,0]=3 6377 B14R1.19 CCCCCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210326 [0,2,0,0,0,0|1,0,0]=3 6378 B14R1.19 CCCCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210326 [0,2,0,0,0,0|1,0,0]=3 6379 B14R1.19 CCCCCC(=O)c1ccc(cc1)O 271570a_203496583355_200011267725 [0,2,0,0,0,0|1,0,0]=3 6380 B14R1.19 CCCCNC(=O)c1ccc(cc1)Br 11a_100000102301_100000185839 [0,2,0,0,0,0|1,0,0]=3 6381 B14R1.19 CCCCNC(=O)c1ccc(cc1)Br 1626a_100000102301_100000185839 [0,2,0,0,0,0|1,0,0]=3 6382 B14R1.19 CCCCNC(=O)c1ccc(cc1)Br 240690a_100000102301_100000185839 [0,2,0,0,0,0|1,0,0]=3 6383 B14R1.19 CCCCNC(=O)c1ccc(cc1)Br 527a_100000102301_100000185839 [0,2,0,0,0,0|1,0,0]=3 6384 B14R1.19 CCCCNC(=O)c1ccc(cc1)C 11a_100000102301_100000188618 [0,2,0,0,0,0|1,0,0]=3 6385 B14R1.19 CCCCNC(=O)c1ccc(cc1)C 1626a_100000102301_100000188618 [0,2,0,0,0,0|1,0,0]=3 6386 B14R1.19 CCCCNC(=O)c1ccc(cc1)C 240690a_100000102301_100000188618 [0,2,0,0,0,0|1,0,0]=3 6387 B14R1.19 CCCCNC(=O)c1ccc(cc1)C 527a_100000102301_100000188618 [0,2,0,0,0,0|1,0,0]=3 6388 B14R1.19 CCCCNC(=O)c1ccc(cc1)Cl 11a_100000102301_100000210187 [0,2,0,0,0,0|1,0,0]=3 6389 B14R1.19 CCCCNC(=O)c1ccc(cc1)Cl 1626a_100000102301_100000210187 [0,2,0,0,0,0|1,0,0]=3 6390 B14R1.19 CCCCNC(=O)c1ccc(cc1)Cl 240690a_100000102301_100000210187 [0,2,0,0,0,0|1,0,0]=3 6391 B14R1.19 CCCCNC(=O)c1ccc(cc1)Cl 527a_100000102301_100000210187 [0,2,0,0,0,0|1,0,0]=3 6392 B14R1.19 CCCCNC(=O)c1ccc(cc1)F 11a_100000102301_100000187176 [0,2,0,0,0,0|1,0,0]=3 6393 B14R1.19 CCCCNC(=O)c1ccc(cc1)F 1626a_100000102301_100000187176 [0,2,0,0,0,0|1,0,0]=3 6394 B14R1.19 CCCCNC(=O)c1ccc(cc1)F 240690a_100000102301_100000187176 [0,2,0,0,0,0|1,0,0]=3 6395 B14R1.19 CCCCNC(=O)c1ccc(cc1)F 527a_100000102301_100000187176 [0,2,0,0,0,0|1,0,0]=3 6396 B14R1.19 CCCCNC(=O)c1ccc(cc1)I 11a_100000102301_100000187904 [0,2,0,0,0,0|1,0,0]=3 6397 B14R1.19 CCCCNC(=O)c1ccc(cc1)I 1626a_100000102301_100000187904 [0,2,0,0,0,0|1,0,0]=3 6398 B14R1.19 CCCCNC(=O)c1ccc(cc1)I 240690a_100000102301_100000187904 [0,2,0,0,0,0|1,0,0]=3 6399 B14R1.19 CCCCNC(=O)c1ccc(cc1)I 527a_100000102301_100000187904 [0,2,0,0,0,0|1,0,0]=3 6400 B14R1.19 CCCCNC(=O)c1ccc(cc1)O 240690a_100000102301_100000212099 [0,2,0,0,0,0|1,0,0]=3 6401 B14R1.19 CCCCNC(=O)c1ccc(cc1)O 271570a_203496583355_200000154866 [0,2,0,0,0,0|1,0,0]=3 6402 B14R1.19 CCCCNC(=O)c1ccc(cc1)O 527a_100000102301_100000212099 [0,2,0,0,0,0|1,0,0]=3 6403 B14R1.19 CCCCNC(=O)c1ccc(cn1)O 271570a_203496583355_200011781281 [0,2,0,0,0,0|2,0,0]=4 6404 B14R1.19 CCCCOC(C)c1ccc(cc1)Br 34a_100000210227_100000755118 [0,2,0,0,0,0|1,0,1]=4 6405 B14R1.19 CCCCOC(C)c1ccc(cc1)Br 34a_100000745893_100000210210 [0,2,0,0,0,0|1,0,1]=4 6406 B14R1.19 CCCCOC(C)c1ccc(cc1)Br 7a_100000745893_100000210211 [0,2,0,0,0,0|1,0,1]=4 6407 B14R1.19 CCCCOC(C)c1ccc(cc1)C 34a_100000210227_100011261388 [0,2,0,0,0,0|1,0,1]=4 6408 B14R1.19 CCCCOC(C)c1ccc(cc1)C 7a_100000210227_100011261388 [0,2,0,0,0,0|1,0,1]=4 6409 B14R1.19 CCCCOC(C)c1ccc(cc1)Cl 7a_100000210227_100000684792 [0,2,0,0,0,0|1,0,1]=4 6410 B14R1.19 CCCCOC(C)c1ccc(cc1)F 34a_100000181323_100000210210 [0,2,0,0,0,0|1,0,1]=4 6411 B14R1.19 CCCCOC(C)c1ccc(cc1)F 34a_100000210227_100000743420 [0,2,0,0,0,0|1,0,1]=4 6412 B14R1.19 CCCCOC(C)c1ccc(cc1)F 7a_100000181323_100000210211 [0,2,0,0,0,0|1,0,1]=4 6413 B14R1.19 CCCCOC(C)c1ccc(cc1)F 7a_100000210227_100000743420 [0,2,0,0,0,0|1,0,1]=4 6414 B14R1.19 CCCCOC(C)c1ccc(cc1)N 34a_100011216399_100000210210 [0,2,0,0,0,0|1,0,1]=4 6415 B14R1.19 CCCCO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100000210210 [0,2,0,0,0,0|1,0,1]=4 6416 B14R1.19 CCCCO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100000210211 [0,2,0,0,0,0|1,0,1]=4 6417 B14R1.19 CCCCO[C@H](C)c1ccc(cc1)C 34a_100000690690_100000210210 [0,2,0,0,0,0|1,0,1]=4 6418 B14R1.19 CCCCO[C@H](C)c1ccc(cc1)C 7a_100000690690_100000210211 [0,2,0,0,0,0|1,0,1]=4 6419 B14R1.19 CCCNN=C(C)c1ccc(cc1)Br 4a_100000740057_100000185794 [0,2,0,0,0,0|2,0,0]=4 6420 B14R1.19 CCCNN=C(C)c1ccc(cc1)C 4a_100000740057_100000185793 [0,2,0,0,0,0|2,0,0]=4 6421 B14R1.19 CCCNN=C(C)c1ccc(cc1)Cl 4a_100000740057_100000185797 [0,2,0,0,0,0|2,0,0]=4 6422 B14R1.19 CCCNN=C(C)c1ccc(cc1)F 4a_100000740057_100000185800 [0,2,0,0,0,0|2,0,0]=4 6423 B14R1.19 CCCNN=C(C)c1ccc(cc1)I 4a_100000740057_100000185465 [0,2,0,0,0,0|2,0,0]=4 6424 B14R1.19 CCCNN=C(C)c1ccc(cc1)O 4a_100000740057_100000185113 [0,2,0,0,0,0|2,0,0]=4 6425 B14R1.19 CCCNNC(=O)c1ccc(cc1)Br 22a_100000740057_100000185839 [0,2,0,0,0,0|1,0,0]=3 6426 B14R1.19 CCCNNC(=O)c1ccc(cc1)C 22a_100000740057_100000188618 [0,2,0,0,0,0|1,0,0]=3 6427 B14R1.19 CCCNNC(=O)c1ccc(cc1)Cl 22a_100000740057_100000210187 [0,2,0,0,0,0|1,0,0]=3 6428 B14R1.19 CCCNNC(=O)c1ccc(cc1)F 22a_100000740057_100000187176 [0,2,0,0,0,0|1,0,0]=3 6429 B14R1.19 CCCNNC(=O)c1ccc(cc1)I 22a_100000740057_100000187904 [0,2,0,0,0,0|1,0,0]=3 6430 B14R1.19 CCCNNC(=O)c1ccc(cc1)O 22a_100000740057_100000212099 [0,2,0,0,0,0|1,0,0]=3 6431 B14R1.19 CCCOCC(=O)c1ccc(cc1)Br 34a_100000210258_100000188085 [0,2,0,0,0,0|0,0,0]=2 6432 B14R1.19 CCCOCC(=O)c1ccc(cc1)C 34a_100000210258_100000211441 [0,2,0,0,0,0|0,0,0]=2 6433 B14R1.19 CCCOCC(=O)c1ccc(cc1)F 34a_100000246311_100000210303 [0,2,0,0,0,0|0,0,0]=2 6434 B14R1.19 CCCOCC(=O)c1ccc(cc1)I 34a_100000210258_100011216261 [0,2,0,0,0,0|0,0,0]=2 6435 B14R1.19 CCCOCC(=O)c1ccc(cc1)O 34a_100000210258_100009814261 [0,2,0,0,0,0|0,0,0]=2 6436 B14R1.19 CCCOCC(N)c1ccc(cc1)Br 34a_100000734186_100000210303 [0,2,0,0,0,0|1,0,1]=4 6437 B14R1.19 CCCOCC(N)c1ccc(cc1)F 34a_100000705410_100000210303 [0,2,0,0,0,0|1,0,1]=4 6438 B14R1.19 CCCOCC(O)c1ccc(cc1)Cl 34a_100000210258_200011996143 [0,2,0,0,0,0|0,0,2]=4 6439 B14R1.19 CCCOC[C@@H](N)c1ccc(cc1)Cl 34a_100009818818_100000210303 [0,2,0,0,0,0|1,0,1]=4 6440 B14R1.19 CCCOC[C@H](N)c1ccc(cc1)C 34a_100009818840_100000210303 [0,2,0,0,0,0|1,0,1]=4 6441 B14R1.19 CCCOC[C@H](O)c1ccc(cc1)F 34a_100000210258_100000720402 [0,2,0,0,0,0|0,0,2]=4 6442 B14R1.19 CCCSCC(=O)c1ccc(cc1)Br 62a_100000188085_100000210303 [0,2,0,0,0,0|0,1,0]=3 6443 B14R1.19 CCCSCC(=O)c1ccc(cc1)C 62a_100000210303_100000211441 [0,2,0,0,0,0|0,1,0]=3 6444 B14R1.19 CCCSCC(=O)c1ccc(cc1)C 62a_100000211441_100000210303 [0,2,0,0,0,0|0,1,0]=3 6445 B14R1.19 CCCSCC(=O)c1ccc(cc1)Cl 62a_100000210303_100000211071 [0,2,0,0,0,0|0,1,0]=3 6446 B14R1.19 CCCSCC(=O)c1ccc(cc1)Cl 62a_100000211071_100000210303 [0,2,0,0,0,0|0,1,0]=3 6447 B14R1.19 CCCSCC(=O)c1ccc(cc1)F 62a_100000210303_100000211279 [0,2,0,0,0,0|0,1,0]=3 6448 B14R1.19 CCCSCC(=O)c1ccc(cc1)F 62a_100000211279_100000210303 [0,2,0,0,0,0|0,1,0]=3 6449 B14R1.19 CCCSCC(=O)c1ccc(cc1)I 62a_100000210303_100011216261 [0,2,0,0,0,0|0,1,0]=3 6450 B14R1.19 CCCSCC(=O)c1ccc(cc1)I 62a_100011216261_100000210303 [0,2,0,0,0,0|0,1,0]=3 6451 B14R1.19 CCCSCC(=O)c1ccc(cc1)O 62a_100000210303_100009814261 [0,2,0,0,0,0|0,1,0]=3 6452 B14R1.19 CCCSCC(=O)c1ccc(cc1)O 62a_100009814261_100000210303 [0,2,0,0,0,0|0,1,0]=3 6453 B14R1.19 CCCSCC(=O)c1ccc(cn1)Cl 62a_100000210303_100016989621 [0,2,0,0,0,0|1,1,0]=4 6454 B14R1.19 CCCSCC(=O)c1ccc(cn1)Cl 62a_100016989621_100000210303 [0,2,0,0,0,0|1,1,0]=4 6455 B14R1.19 CCCSCC(=O)c1ccc(nc1)C 62a_100000210303_100012027583 [0,2,0,0,0,0|1,1,0]=4 6456 B14R1.19 CCCSCC(=O)c1ccc(nc1)C 62a_100012027583_100000210303 [0,2,0,0,0,0|1,1,0]=4 6457 B14R1.19 CCCSCC(=O)c1ccc(nc1)Cl 62a_100000210303_100009864725 [0,2,0,0,0,0|1,1,0]=4 6458 B14R1.19 CCCSCC(=O)c1ccc(nc1)Cl 62a_100009864725_100000210303 [0,2,0,0,0,0|1,1,0]=4 6459 B14R1.19 CCNCCC(=O)c1ccc(cc1)C 2230a_100015525214_100000701375 [0,2,0,0,0,0|1,0,0]=3 6460 B14R1.19 CCNCCC(=O)c1ccc(cc1)F 2230a_100015525214_100000211231 [0,2,0,0,0,0|1,0,0]=3 6461 B14R1.19 CCNCCC(=O)c1ccc(cc1)O 2230a_100015525214_100009879949 [0,2,0,0,0,0|1,0,0]=3 6462 B14R1.19 CCOCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100011215890 [0,2,0,0,0,0|1,0,0]=3 6463 B14R1.19 CCOCCC(=O)c1ccc(cc1)C 1458a_100000188618_100011215890 [0,2,0,0,0,0|1,0,0]=3 6464 B14R1.19 CCOCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100011215890 [0,2,0,0,0,0|1,0,0]=3 6465 B14R1.19 CCOCCC(=O)c1ccc(cc1)F 1458a_100000187176_100011215890 [0,2,0,0,0,0|1,0,0]=3 6466 B14R1.19 CCOCCC(=O)c1ccc(cc1)I 1458a_100000187904_100011215890 [0,2,0,0,0,0|1,0,0]=3 6467 B14R1.19 CCOCCC(=O)c1ccc(cc1)O 1458a_100000212099_100011215890 [0,2,0,0,0,0|1,0,0]=3 6468 B14R1.19 CCOCCC(=O)c1ccc(cc1)O 271570a_203496583355_100018808408 [0,2,0,0,0,0|1,0,0]=3 6469 B14R1.19 CCSCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000757381 [0,2,0,0,0,0|1,0,0]=3 6470 B14R1.19 CCSCCC(=O)c1ccc(cc1)Br 62a_100000210202_100011215963 [0,2,0,0,0,0|1,0,0]=3 6471 B14R1.19 CCSCCC(=O)c1ccc(cc1)Br 62a_100011215963_100000210202 [0,2,0,0,0,0|1,0,0]=3 6472 B14R1.19 CCSCCC(=O)c1ccc(cc1)C 1458a_100000188618_100000757381 [0,2,0,0,0,0|1,0,0]=3 6473 B14R1.19 CCSCCC(=O)c1ccc(cc1)C 62a_100000210202_100000701375 [0,2,0,0,0,0|1,0,0]=3 6474 B14R1.19 CCSCCC(=O)c1ccc(cc1)C 62a_100000701375_100000210202 [0,2,0,0,0,0|1,0,0]=3 6475 B14R1.19 CCSCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000757381 [0,2,0,0,0,0|1,0,0]=3 6476 B14R1.19 CCSCCC(=O)c1ccc(cc1)Cl 62a_100000210202_100011216492 [0,2,0,0,0,0|1,0,0]=3 6477 B14R1.19 CCSCCC(=O)c1ccc(cc1)Cl 62a_100011216492_100000210202 [0,2,0,0,0,0|1,0,0]=3 6478 B14R1.19 CCSCCC(=O)c1ccc(cc1)F 1458a_100000187176_100000757381 [0,2,0,0,0,0|1,0,0]=3 6479 B14R1.19 CCSCCC(=O)c1ccc(cc1)F 62a_100000210202_100000211231 [0,2,0,0,0,0|1,0,0]=3 6480 B14R1.19 CCSCCC(=O)c1ccc(cc1)F 62a_100000211231_100000210202 [0,2,0,0,0,0|1,0,0]=3 6481 B14R1.19 CCSCCC(=O)c1ccc(cc1)I 1458a_100000187904_100000757381 [0,2,0,0,0,0|1,0,0]=3 6482 B14R1.19 CCSCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000757381 [0,2,0,0,0,0|1,0,0]=3 6483 B14R1.19 CCSCCC(=O)c1ccc(cc1)O 62a_100000210202_100009879949 [0,2,0,0,0,0|1,0,0]=3 6484 B14R1.19 CNCCCC(=O)c1ccc(cc1)Br 2230a_106832991635_100000211046 [0,2,0,0,0,0|1,0,0]=3 6485 B14R1.19 CNCCCC(=O)c1ccc(cc1)Br 34a_100102657272_100000211046 [0,2,0,0,0,0|1,0,0]=3 6486 B14R1.19 CNCCCC(=O)c1ccc(cc1)Br 7a_106832991635_100000211046 [0,2,0,0,0,0|1,0,0]=3 6487 B14R1.19 CNCCCC(=O)c1ccc(cc1)Cl 7a_106832991635_200011217871 [0,2,0,0,0,0|1,0,0]=3 6488 B14R1.19 CNCCCC(=O)c1ccc(cc1)F 2230a_106832991635_100000211961 [0,2,0,0,0,0|1,0,0]=3 6489 B14R1.19 CNCCCC(=O)c1ccc(cc1)F 7a_106832991635_100000211961 [0,2,0,0,0,0|1,0,0]=3 6490 B14R1.19 CNCCCC(=O)c1ccc(cc1)O 2230a_106832991635_100000039620 [0,2,0,0,0,0|1,0,0]=3 6491 B14R1.19 CNCCCC(=O)c1ccc(cc1)O 7a_106832991635_100000039620 [0,2,0,0,0,0|1,0,0]=3 6492 B14R1.19 CNCCNC(=O)c1ccc(cc1)Cl 2230a_100000736292_200000210301 [0,2,0,0,0,0|1,0,0]=3 6493 B14R1.19 CNCCNC(=O)c1ccc(cc1)Cl 34a_100000736292_200000210301 [0,2,0,0,0,0|1,0,0]=3 6494 B14R1.19 CNCCNC(=O)c1ccc(cc1)F 2230a_100000753910_200000210301 [0,2,0,0,0,0|1,0,0]=3 6495 B14R1.19 CNCCNC(=O)c1ccc(cc1)F 34a_100000753910_200000210301 [0,2,0,0,0,0|1,0,0]=3 6496 B14R1.19 COCCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000740836 [0,2,0,0,0,0|1,0,0]=3 6497 B14R1.19 COCCCC(=O)c1ccc(cc1)Br 34a_100138415774_100000211046 [0,2,0,0,0,0|1,0,0]=3 6498 B14R1.19 COCCCC(=O)c1ccc(cc1)C 1458a_100000188618_100000740836 [0,2,0,0,0,0|1,0,0]=3 6499 B14R1.19 COCCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000740836 [0,2,0,0,0,0|1,0,0]=3 6500 B14R1.19 COCCCC(=O)c1ccc(cc1)F 1458a_100000187176_100000740836 [0,2,0,0,0,0|1,0,0]=3 6501 B14R1.19 COCCCC(=O)c1ccc(cc1)I 1458a_100000187904_100000740836 [0,2,0,0,0,0|1,0,0]=3 6502 B14R1.19 COCCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000740836 [0,2,0,0,0,0|1,0,0]=3 6503 B14R1.19 COCCNC(=O)c1ccc(cc1)Br 1626a_100000209980_100000185839 [0,2,0,0,0,0|1,0,0]=3 6504 B14R1.19 COCCNC(=O)c1ccc(cc1)Br 240690a_100000209980_100000185839 [0,2,0,0,0,0|1,0,0]=3 6505 B14R1.19 COCCNC(=O)c1ccc(cc1)Br 34a_200000158904_200000210301 [0,2,0,0,0,0|1,0,0]=3 6506 B14R1.19 COCCNC(=O)c1ccc(cc1)Br 527a_100000209980_100000185839 [0,2,0,0,0,0|1,0,0]=3 6507 B14R1.19 COCCNC(=O)c1ccc(cc1)C 1626a_100000209980_100000188618 [0,2,0,0,0,0|1,0,0]=3 6508 B14R1.19 COCCNC(=O)c1ccc(cc1)C 240690a_100000209980_100000188618 [0,2,0,0,0,0|1,0,0]=3 6509 B14R1.19 COCCNC(=O)c1ccc(cc1)C 34a_200000158910_200000210301 [0,2,0,0,0,0|1,0,0]=3 6510 B14R1.19 COCCNC(=O)c1ccc(cc1)C 527a_100000209980_100000188618 [0,2,0,0,0,0|1,0,0]=3 6511 B14R1.19 COCCNC(=O)c1ccc(cc1)C 7a_200000158910_200000210301 [0,2,0,0,0,0|1,0,0]=3 6512 B14R1.19 COCCNC(=O)c1ccc(cc1)Cl 1626a_100000209980_100000210187 [0,2,0,0,0,0|1,0,0]=3 6513 B14R1.19 COCCNC(=O)c1ccc(cc1)Cl 240690a_100000209980_100000210187 [0,2,0,0,0,0|1,0,0]=3 6514 B14R1.19 COCCNC(=O)c1ccc(cc1)Cl 527a_100000209980_100000210187 [0,2,0,0,0,0|1,0,0]=3 6515 B14R1.19 COCCNC(=O)c1ccc(cc1)F 1626a_100000209980_100000187176 [0,2,0,0,0,0|1,0,0]=3 6516 B14R1.19 COCCNC(=O)c1ccc(cc1)F 240690a_100000209980_100000187176 [0,2,0,0,0,0|1,0,0]=3 6517 B14R1.19 COCCNC(=O)c1ccc(cc1)F 527a_100000209980_100000187176 [0,2,0,0,0,0|1,0,0]=3 6518 B14R1.19 COCCNC(=O)c1ccc(cc1)I 1626a_100000209980_100000187904 [0,2,0,0,0,0|1,0,0]=3 6519 B14R1.19 COCCNC(=O)c1ccc(cc1)I 240690a_100000209980_100000187904 [0,2,0,0,0,0|1,0,0]=3 6520 B14R1.19 COCCNC(=O)c1ccc(cc1)I 527a_100000209980_100000187904 [0,2,0,0,0,0|1,0,0]=3 6521 B14R1.19 COCCNC(=O)c1ccc(cc1)N 34a_100000740983_200000210301 [0,2,0,0,0,0|1,0,0]=3 6522 B14R1.19 COCCNC(=O)c1ccc(cc1)O 240690a_100000209980_100000212099 [0,2,0,0,0,0|1,0,0]=3 6523 B14R1.19 COCCNC(=O)c1ccc(cc1)O 527a_100000209980_100000212099 [0,2,0,0,0,0|1,0,0]=3 6524 B14R1.19 COCCNC(=O)c1ccc(nc1)O 271570a_203496583355_100000157854 [0,2,0,0,0,0|2,0,0]=4 6525 B14R1.19 COCCOC(=O)c1ccc(cc1)C 7a_200000031072_200000210301 [0,2,0,0,0,0|0,0,0]=2 6526 B14R1.19 COCCOC(C)c1ccc(cc1)Br 34a_100000210237_100000755118 [0,2,0,0,0,0|1,0,1]=4 6527 B14R1.19 COCCOC(C)c1ccc(cc1)Br 34a_100000745893_100011201679 [0,2,0,0,0,0|1,0,1]=4 6528 B14R1.19 COCCOC(C)c1ccc(cc1)Br 7a_100000745893_100000233755 [0,2,0,0,0,0|1,0,1]=4 6529 B14R1.19 COCCOC(C)c1ccc(cc1)C 34a_100000210237_100011261388 [0,2,0,0,0,0|1,0,1]=4 6530 B14R1.19 COCCOC(C)c1ccc(cc1)F 34a_100000181323_100011201679 [0,2,0,0,0,0|1,0,1]=4 6531 B14R1.19 COCCOC(C)c1ccc(cc1)F 34a_100000210237_100000743420 [0,2,0,0,0,0|1,0,1]=4 6532 B14R1.19 COCCOC(C)c1ccc(cc1)F 7a_100000181323_100000233755 [0,2,0,0,0,0|1,0,1]=4 6533 B14R1.19 COCCOC(C)c1ccc(cc1)N 34a_100011216399_100011201679 [0,2,0,0,0,0|1,0,1]=4 6534 B14R1.19 COCCO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100011201679 [0,2,0,0,0,0|1,0,1]=4 6535 B14R1.19 COCCO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100000233755 [0,2,0,0,0,0|1,0,1]=4 6536 B14R1.19 COCCO[C@H](C)c1ccc(cc1)C 34a_100000690690_100011201679 [0,2,0,0,0,0|1,0,1]=4 6537 B14R1.19 COCCO[C@H](C)c1ccc(cc1)C 7a_100000690690_100000233755 [0,2,0,0,0,0|1,0,1]=4 6538 B14R1.19 COCSCC(=O)c1ccc(cc1)Br 62a_100000188085_100000766300 [0,2,0,0,0,0|1,1,0]=4 6539 B14R1.19 COCSCC(=O)c1ccc(cc1)C 62a_100000211441_100000766300 [0,2,0,0,0,0|1,1,0]=4 6540 B14R1.19 COCSCC(=O)c1ccc(cc1)C 62a_100000766300_100000211441 [0,2,0,0,0,0|1,1,0]=4 6541 B14R1.19 COCSCC(=O)c1ccc(cc1)Cl 62a_100000211071_100000766300 [0,2,0,0,0,0|1,1,0]=4 6542 B14R1.19 COCSCC(=O)c1ccc(cc1)Cl 62a_100000766300_100000211071 [0,2,0,0,0,0|1,1,0]=4 6543 B14R1.19 COCSCC(=O)c1ccc(cc1)F 62a_100000211279_100000766300 [0,2,0,0,0,0|1,1,0]=4 6544 B14R1.19 COCSCC(=O)c1ccc(cc1)F 62a_100000766300_100000211279 [0,2,0,0,0,0|1,1,0]=4 6545 B14R1.19 COCSCC(=O)c1ccc(cc1)I 62a_100000766300_100011216261 [0,2,0,0,0,0|1,1,0]=4 6546 B14R1.19 COCSCC(=O)c1ccc(cc1)I 62a_100011216261_100000766300 [0,2,0,0,0,0|1,1,0]=4 6547 B14R1.19 COCSCC(=O)c1ccc(cc1)O 62a_100000766300_100009814261 [0,2,0,0,0,0|1,1,0]=4 6548 B14R1.19 COCSCC(=O)c1ccc(cc1)O 62a_100009814261_100000766300 [0,2,0,0,0,0|1,1,0]=4 6549 B14R1.19 CSCCCC(=O)c1ccc(cc1)Br 62a_100000211046_200000210301 [0,2,0,0,0,0|1,0,0]=3 6550 B14R1.19 CSCCCC(=O)c1ccc(cc1)Br 62a_200000210301_100000211046 [0,2,0,0,0,0|1,0,0]=3 6551 B14R1.19 CSCCCC(=O)c1ccc(cc1)Cl 62a_200000210301_200011217871 [0,2,0,0,0,0|1,0,0]=3 6552 B14R1.19 CSCCCC(=O)c1ccc(cc1)Cl 62a_200011217871_200000210301 [0,2,0,0,0,0|1,0,0]=3 6553 B14R1.19 CSCCCC(=O)c1ccc(cc1)F 62a_100000211961_200000210301 [0,2,0,0,0,0|1,0,0]=3 6554 B14R1.19 CSCCCC(=O)c1ccc(cc1)F 62a_200000210301_100000211961 [0,2,0,0,0,0|1,0,0]=3 6555 B14R1.19 CSCCCC(=O)c1ccc(cc1)O 62a_200000210301_100000039620 [0,2,0,0,0,0|1,0,0]=3 6556 B14R1.19 CSCCNC(=O)c1ccc(cc1)Br 11a_100020590264_100000185839 [0,2,0,0,0,0|1,0,0]=3 6557 B14R1.19 CSCCNC(=O)c1ccc(cc1)Br 1626a_100020590264_100000185839 [0,2,0,0,0,0|1,0,0]=3 6558 B14R1.19 CSCCNC(=O)c1ccc(cc1)Br 240690a_100020590264_100000185839 [0,2,0,0,0,0|1,0,0]=3 6559 B14R1.19 CSCCNC(=O)c1ccc(cc1)Br 527a_100020590264_100000185839 [0,2,0,0,0,0|1,0,0]=3 6560 B14R1.19 CSCCNC(=O)c1ccc(cc1)C 11a_100020590264_100000188618 [0,2,0,0,0,0|1,0,0]=3 6561 B14R1.19 CSCCNC(=O)c1ccc(cc1)C 1626a_100020590264_100000188618 [0,2,0,0,0,0|1,0,0]=3 6562 B14R1.19 CSCCNC(=O)c1ccc(cc1)C 240690a_100020590264_100000188618 [0,2,0,0,0,0|1,0,0]=3 6563 B14R1.19 CSCCNC(=O)c1ccc(cc1)C 527a_100020590264_100000188618 [0,2,0,0,0,0|1,0,0]=3 6564 B14R1.19 CSCCNC(=O)c1ccc(cc1)Cl 11a_100020590264_100000210187 [0,2,0,0,0,0|1,0,0]=3 6565 B14R1.19 CSCCNC(=O)c1ccc(cc1)Cl 1626a_100020590264_100000210187 [0,2,0,0,0,0|1,0,0]=3 6566 B14R1.19 CSCCNC(=O)c1ccc(cc1)Cl 240690a_100020590264_100000210187 [0,2,0,0,0,0|1,0,0]=3 6567 B14R1.19 CSCCNC(=O)c1ccc(cc1)Cl 527a_100020590264_100000210187 [0,2,0,0,0,0|1,0,0]=3 6568 B14R1.19 CSCCNC(=O)c1ccc(cc1)F 11a_100020590264_100000187176 [0,2,0,0,0,0|1,0,0]=3 6569 B14R1.19 CSCCNC(=O)c1ccc(cc1)F 1626a_100020590264_100000187176 [0,2,0,0,0,0|1,0,0]=3 6570 B14R1.19 CSCCNC(=O)c1ccc(cc1)F 240690a_100020590264_100000187176 [0,2,0,0,0,0|1,0,0]=3 6571 B14R1.19 CSCCNC(=O)c1ccc(cc1)F 527a_100020590264_100000187176 [0,2,0,0,0,0|1,0,0]=3 6572 B14R1.19 CSCCNC(=O)c1ccc(cc1)I 11a_100020590264_100000187904 [0,2,0,0,0,0|1,0,0]=3 6573 B14R1.19 CSCCNC(=O)c1ccc(cc1)I 1626a_100020590264_100000187904 [0,2,0,0,0,0|1,0,0]=3 6574 B14R1.19 CSCCNC(=O)c1ccc(cc1)I 240690a_100020590264_100000187904 [0,2,0,0,0,0|1,0,0]=3 6575 B14R1.19 CSCCNC(=O)c1ccc(cc1)I 527a_100020590264_100000187904 [0,2,0,0,0,0|1,0,0]=3 6576 B14R1.19 CSCCNC(=O)c1ccc(cc1)O 240690a_100020590264_100000212099 [0,2,0,0,0,0|1,0,0]=3 6577 B14R1.19 CSCCNC(=O)c1ccc(cc1)O 527a_100020590264_100000212099 [0,2,0,0,0,0|1,0,0]=3 6578 B14R1.19 CSCCOC(C)c1ccc(cc1)Br 34a_100000230434_100000755118 [0,2,0,0,0,0|1,0,1]=4 6579 B14R1.19 CSCCOC(C)c1ccc(cc1)Br 34a_100000745893_100000212216 [0,2,0,0,0,0|1,0,1]=4 6580 B14R1.19 CSCCOC(C)c1ccc(cc1)Br 7a_100000745893_100000212216 [0,2,0,0,0,0|1,0,1]=4 6581 B14R1.19 CSCCOC(C)c1ccc(cc1)C 34a_100000230434_100011261388 [0,2,0,0,0,0|1,0,1]=4 6582 B14R1.19 CSCCOC(C)c1ccc(cc1)C 7a_100000230434_100011261388 [0,2,0,0,0,0|1,0,1]=4 6583 B14R1.19 CSCCOC(C)c1ccc(cc1)Cl 7a_100000230434_100000684792 [0,2,0,0,0,0|1,0,1]=4 6584 B14R1.19 CSCCOC(C)c1ccc(cc1)F 34a_100000181323_100000212216 [0,2,0,0,0,0|1,0,1]=4 6585 B14R1.19 CSCCOC(C)c1ccc(cc1)F 34a_100000230434_100000743420 [0,2,0,0,0,0|1,0,1]=4 6586 B14R1.19 CSCCOC(C)c1ccc(cc1)F 7a_100000181323_100000212216 [0,2,0,0,0,0|1,0,1]=4 6587 B14R1.19 CSCCOC(C)c1ccc(cc1)F 7a_100000230434_100000743420 [0,2,0,0,0,0|1,0,1]=4 6588 B14R1.19 CSCCOC(C)c1ccc(cc1)N 34a_100011216399_100000212216 [0,2,0,0,0,0|1,0,1]=4 6589 B14R1.19 CSCCO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100000212216 [0,2,0,0,0,0|1,0,1]=4 6590 B14R1.19 CSCCO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100000212216 [0,2,0,0,0,0|1,0,1]=4 6591 B14R1.19 CSCCO[C@H](C)c1ccc(cc1)C 34a_100000690690_100000212216 [0,2,0,0,0,0|1,0,1]=4 6592 B14R1.19 CSCCO[C@H](C)c1ccc(cc1)C 7a_100000690690_100000212216 [0,2,0,0,0,0|1,0,1]=4 6593 B14R1.19 CSCOCC(=O)c1ccc(cc1)F 34a_100000246311_100011218213 [0,2,0,0,0,0|1,0,0]=3 6594 B14R1.19 CSCSCC(=O)c1ccc(cc1)Br 62a_100000188085_100011218213 [0,2,0,0,0,0|1,1,0]=4 6595 B14R1.19 CSCSCC(=O)c1ccc(cc1)C 62a_100000211441_100011218213 [0,2,0,0,0,0|1,1,0]=4 6596 B14R1.19 CSCSCC(=O)c1ccc(cc1)C 62a_100011218213_100000211441 [0,2,0,0,0,0|1,1,0]=4 6597 B14R1.19 CSCSCC(=O)c1ccc(cc1)Cl 62a_100000211071_100011218213 [0,2,0,0,0,0|1,1,0]=4 6598 B14R1.19 CSCSCC(=O)c1ccc(cc1)Cl 62a_100011218213_100000211071 [0,2,0,0,0,0|1,1,0]=4 6599 B14R1.19 CSCSCC(=O)c1ccc(cc1)F 62a_100000211279_100011218213 [0,2,0,0,0,0|1,1,0]=4 6600 B14R1.19 CSCSCC(=O)c1ccc(cc1)F 62a_100011218213_100000211279 [0,2,0,0,0,0|1,1,0]=4 6601 B14R1.19 CSCSCC(=O)c1ccc(cc1)I 62a_100011216261_100011218213 [0,2,0,0,0,0|1,1,0]=4 6602 B14R1.19 CSCSCC(=O)c1ccc(cc1)I 62a_100011218213_100011216261 [0,2,0,0,0,0|1,1,0]=4 6603 B14R1.19 CSCSCC(=O)c1ccc(cc1)O 62a_100009814261_100011218213 [0,2,0,0,0,0|1,1,0]=4 6604 B14R1.19 CSCSCC(=O)c1ccc(cc1)O 62a_100011218213_100009814261 [0,2,0,0,0,0|1,1,0]=4 6605 B14R1.19 C[C@H](OCCCF)c1ccc(cc1)Cl 34a_100011852131_100011934791 [0,2,0,0,0,0|1,0,1]=4 6606 B14R1.19 C[C@H](OCCCF)c1ccc(cc1)Cl 7a_100011852131_100011934791 [0,2,0,0,0,0|1,0,1]=4 6607 B14R1.19 C[C@H](OCCCO)c1ccc(cc1)Cl 34a_100011852131_100000230001 [0,2,0,0,0,0|1,0,1]=4 6608 B14R1.19 C[C@H](OCCCO)c1ccc(cc1)Cl 7a_100011852131_100011215043 [0,2,0,0,0,0|1,0,1]=4 6609 B14R1.19 Cc1ccc(cc1)C(=O)CCCC#N 1458a_100000188618_100000211468 [0,2,0,0,0,0|1,0,1]=4 6610 B14R1.19 Cc1ccc(cc1)C(=O)CCCCF 1458a_100000188618_100000729493 [0,2,0,0,0,0|1,0,0]=3 6611 B14R1.19 Cc1ccc(cc1)C(=O)CCCCO 1458a_100000188618_100000210776 [0,2,0,0,0,0|1,0,0]=3 6612 B14R1.19 Cc1ccc(cc1)C(=O)CCSCF 62a_100000701375_100015361967 [0,2,0,0,0,0|2,0,0]=4 6613 B14R1.19 Cc1ccc(cc1)C(=O)CCSCF 62a_100015361967_100000701375 [0,2,0,0,0,0|2,0,0]=4 6614 B14R1.19 Cc1ccc(cc1)C(=O)CNCCF 34a_100000724931_100000211441 [0,2,0,0,0,0|2,0,0]=4 6615 B14R1.19 Cc1ccc(cc1)C(=O)CNCCO 2230a_100016997473_100000211441 [0,2,0,0,0,0|2,0,0]=4 6616 B14R1.19 Cc1ccc(cc1)C(=O)CNCCO 34a_100016990907_100000211441 [0,2,0,0,0,0|2,0,0]=4 6617 B14R1.19 Cc1ccc(cc1)C(=O)COCCBr 34a_100000211926_100000211441 [0,2,0,0,0,0|1,0,0]=3 6618 B14R1.19 Cc1ccc(cc1)C(=O)COCCN 34a_100000210304_100000211441 [0,2,0,0,0,0|1,0,0]=3 6619 B14R1.19 Cc1ccc(cc1)C(=O)CSCCF 62a_100000211441_100011217306 [0,2,0,0,0,0|1,1,0]=4 6620 B14R1.19 Cc1ccc(cc1)C(=O)CSCCF 62a_100011217306_100000211441 [0,2,0,0,0,0|1,1,0]=4 6621 B14R1.19 Cc1ccc(cc1)C(=O)CSCCO 62a_100000211441_100000211926 [0,2,0,0,0,0|1,1,0]=4 6622 B14R1.19 Cc1ccc(cc1)C(=O)CSCCO 62a_100000211926_100000211441 [0,2,0,0,0,0|1,1,0]=4 6623 B14R1.19 Cc1ccc(cc1)C(=O)NCCC#N 11a_100000720768_100000188618 [0,2,0,0,0,0|1,0,1]=4 6624 B14R1.19 Cc1ccc(cc1)C(=O)NCCC#N 1626a_100000720768_100000188618 [0,2,0,0,0,0|1,0,1]=4 6625 B14R1.19 Cc1ccc(cc1)C(=O)NCCC#N 240690a_100000720768_100000188618 [0,2,0,0,0,0|1,0,1]=4 6626 B14R1.19 Cc1ccc(cc1)C(=O)NCCC#N 527a_100000720768_100000188618 [0,2,0,0,0,0|1,0,1]=4 6627 B14R1.19 Cc1ccc(cc1)C(=O)NCCCF 11a_100015189416_100000188618 [0,2,0,0,0,0|1,0,0]=3 6628 B14R1.19 Cc1ccc(cc1)C(=O)NCCCF 1626a_100015189416_100000188618 [0,2,0,0,0,0|1,0,0]=3 6629 B14R1.19 Cc1ccc(cc1)C(=O)NCCCF 240690a_100015189416_100000188618 [0,2,0,0,0,0|1,0,0]=3 6630 B14R1.19 Cc1ccc(cc1)C(=O)NCCCF 527a_100015189416_100000188618 [0,2,0,0,0,0|1,0,0]=3 6631 B14R1.19 Cc1ccc(cc1)C(=O)NCCCO 240690a_100000182051_100000188618 [0,2,0,0,0,0|1,0,0]=3 6632 B14R1.19 Cc1ccc(cc1)C(=O)NCCCO 527a_100000182051_100000188618 [0,2,0,0,0,0|1,0,0]=3 6633 B14R1.19 Cc1ccc(cc1)C(=O)NCCO[13CH3] 34a_200000158910_200025704644 [0,2,0,0,0,0|1,0,0]=3 6634 B14R1.19 Cc1ccc(cc1)C(=O)NCCO[13CH3] 7a_200000158910_200025704644 [0,2,0,0,0,0|1,0,0]=3 6635 B14R1.19 Cc1ccc(cc1)C(=O)NNCCO 22a_100000210001_100000188618 [0,2,0,0,0,0|2,0,0]=4 6636 B14R1.19 Cc1ccc(cc1)C(=O)OCCO[13CH3] 7a_200000031072_200025704644 [0,2,0,0,0,0|0,0,0]=2 6637 B14R1.19 Cc1ccc(cc1)C(C)OCCCBr 34a_100011217188_100011261388 [0,2,0,0,0,0|1,0,1]=4 6638 B14R1.19 Cc1ccc(cc1)C(C)OCCCCl 34a_100000230001_100011261388 [0,2,0,0,0,0|1,0,1]=4 6639 B14R1.19 Cc1ccc(cc1)C(C)OCCCF 34a_100000759539_100011261388 [0,2,0,0,0,0|1,0,1]=4 6640 B14R1.19 Cc1ccc(cc1)C(C)OCCCN 34a_100000182051_100011261388 [0,2,0,0,0,0|1,0,1]=4 6641 B14R1.19 Cc1ccc(cc1)[C@@H](C)OCCCF 34a_100000690690_100011934791 [0,2,0,0,0,0|1,0,1]=4 6642 B14R1.19 Cc1ccc(cc1)[C@@H](C)OCCCF 7a_100000690690_100011934791 [0,2,0,0,0,0|1,0,1]=4 6643 B14R1.19 Cc1ccc(cc1)[C@@H](C)OCCCO 34a_100000690690_100000230001 [0,2,0,0,0,0|1,0,1]=4 6644 B14R1.19 Cc1ccc(cc1)[C@@H](C)OCCCO 7a_100000690690_100011215043 [0,2,0,0,0,0|1,0,1]=4 6645 B14R1.19 N#CCCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000211468 [0,2,0,0,0,0|1,0,1]=4 6646 B14R1.19 N#CCCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000211468 [0,2,0,0,0,0|1,0,1]=4 6647 B14R1.19 N#CCCCC(=O)c1ccc(cc1)F 1458a_100000187176_100000211468 [0,2,0,0,0,0|1,0,1]=4 6648 B14R1.19 N#CCCCC(=O)c1ccc(cc1)I 1458a_100000187904_100000211468 [0,2,0,0,0,0|1,0,1]=4 6649 B14R1.19 N#CCCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000211468 [0,2,0,0,0,0|1,0,1]=4 6650 B14R1.19 N#CCCNC(=O)c1ccc(cc1)Br 11a_100000720768_100000185839 [0,2,0,0,0,0|1,0,1]=4 6651 B14R1.19 N#CCCNC(=O)c1ccc(cc1)Br 1626a_100000720768_100000185839 [0,2,0,0,0,0|1,0,1]=4 6652 B14R1.19 N#CCCNC(=O)c1ccc(cc1)Br 240690a_100000720768_100000185839 [0,2,0,0,0,0|1,0,1]=4 6653 B14R1.19 N#CCCNC(=O)c1ccc(cc1)Br 527a_100000720768_100000185839 [0,2,0,0,0,0|1,0,1]=4 6654 B14R1.19 N#CCCNC(=O)c1ccc(cc1)Cl 11a_100000720768_100000210187 [0,2,0,0,0,0|1,0,1]=4 6655 B14R1.19 N#CCCNC(=O)c1ccc(cc1)Cl 1626a_100000720768_100000210187 [0,2,0,0,0,0|1,0,1]=4 6656 B14R1.19 N#CCCNC(=O)c1ccc(cc1)Cl 240690a_100000720768_100000210187 [0,2,0,0,0,0|1,0,1]=4 6657 B14R1.19 N#CCCNC(=O)c1ccc(cc1)Cl 527a_100000720768_100000210187 [0,2,0,0,0,0|1,0,1]=4 6658 B14R1.19 N#CCCNC(=O)c1ccc(cc1)F 11a_100000720768_100000187176 [0,2,0,0,0,0|1,0,1]=4 6659 B14R1.19 N#CCCNC(=O)c1ccc(cc1)F 1626a_100000720768_100000187176 [0,2,0,0,0,0|1,0,1]=4 6660 B14R1.19 N#CCCNC(=O)c1ccc(cc1)F 240690a_100000720768_100000187176 [0,2,0,0,0,0|1,0,1]=4 6661 B14R1.19 N#CCCNC(=O)c1ccc(cc1)F 527a_100000720768_100000187176 [0,2,0,0,0,0|1,0,1]=4 6662 B14R1.19 N#CCCNC(=O)c1ccc(cc1)I 11a_100000720768_100000187904 [0,2,0,0,0,0|1,0,1]=4 6663 B14R1.19 N#CCCNC(=O)c1ccc(cc1)I 1626a_100000720768_100000187904 [0,2,0,0,0,0|1,0,1]=4 6664 B14R1.19 N#CCCNC(=O)c1ccc(cc1)I 240690a_100000720768_100000187904 [0,2,0,0,0,0|1,0,1]=4 6665 B14R1.19 N#CCCNC(=O)c1ccc(cc1)I 527a_100000720768_100000187904 [0,2,0,0,0,0|1,0,1]=4 6666 B14R1.19 N#CCCNC(=O)c1ccc(cc1)O 240690a_100000720768_100000212099 [0,2,0,0,0,0|1,0,1]=4 6667 B14R1.19 N#CCCNC(=O)c1ccc(cc1)O 527a_100000720768_100000212099 [0,2,0,0,0,0|1,0,1]=4 6668 B14R1.19 NCCOCC(=O)c1ccc(cc1)Br 34a_100000210304_100000188085 [0,2,0,0,0,0|1,0,0]=3 6669 B14R1.19 NCCOCC(=O)c1ccc(cc1)I 34a_100000210304_100011216261 [0,2,0,0,0,0|1,0,0]=3 6670 B14R1.19 NCCOCC(=O)c1ccc(cc1)O 34a_100000210304_100009814261 [0,2,0,0,0,0|1,0,0]=3 6671 B14R1.19 O=C(CCCCF)c1ccc(cc1)Br 1458a_100000185839_100000729493 [0,2,0,0,0,0|1,0,0]=3 6672 B14R1.19 O=C(CCCCF)c1ccc(cc1)Cl 1458a_100000210187_100000729493 [0,2,0,0,0,0|1,0,0]=3 6673 B14R1.19 O=C(CCCCF)c1ccc(cc1)F 1458a_100000187176_100000729493 [0,2,0,0,0,0|1,0,0]=3 6674 B14R1.19 O=C(CCCCF)c1ccc(cc1)I 1458a_100000187904_100000729493 [0,2,0,0,0,0|1,0,0]=3 6675 B14R1.19 O=C(CCCCF)c1ccc(cc1)O 1458a_100000212099_100000729493 [0,2,0,0,0,0|1,0,0]=3 6676 B14R1.19 O=C(CCCCO)c1ccc(cc1)Br 1458a_100000185839_100000210776 [0,2,0,0,0,0|1,0,0]=3 6677 B14R1.19 O=C(CCCCO)c1ccc(cc1)Cl 1458a_100000210187_100000210776 [0,2,0,0,0,0|1,0,0]=3 6678 B14R1.19 O=C(CCCCO)c1ccc(cc1)F 1458a_100000187176_100000210776 [0,2,0,0,0,0|1,0,0]=3 6679 B14R1.19 O=C(CCCCO)c1ccc(cc1)I 1458a_100000187904_100000210776 [0,2,0,0,0,0|1,0,0]=3 6680 B14R1.19 O=C(CCCCO)c1ccc(cc1)O 1458a_100000212099_100000210776 [0,2,0,0,0,0|1,0,0]=3 6681 B14R1.19 O=C(CCSCF)c1ccc(cc1)Br 62a_100011215963_100015361967 [0,2,0,0,0,0|2,0,0]=4 6682 B14R1.19 O=C(CCSCF)c1ccc(cc1)Br 62a_100015361967_100011215963 [0,2,0,0,0,0|2,0,0]=4 6683 B14R1.19 O=C(CCSCF)c1ccc(cc1)Cl 62a_100011216492_100015361967 [0,2,0,0,0,0|2,0,0]=4 6684 B14R1.19 O=C(CCSCF)c1ccc(cc1)Cl 62a_100015361967_100011216492 [0,2,0,0,0,0|2,0,0]=4 6685 B14R1.19 O=C(CCSCF)c1ccc(cc1)F 62a_100000211231_100015361967 [0,2,0,0,0,0|2,0,0]=4 6686 B14R1.19 O=C(CCSCF)c1ccc(cc1)F 62a_100015361967_100000211231 [0,2,0,0,0,0|2,0,0]=4 6687 B14R1.19 O=C(CCSCF)c1ccc(cc1)O 62a_100015361967_100009879949 [0,2,0,0,0,0|2,0,0]=4 6688 B14R1.19 O=C(CNCCF)c1ccc(cc1)Br 34a_100000724931_100000188085 [0,2,0,0,0,0|2,0,0]=4 6689 B14R1.19 O=C(CNCCF)c1ccc(cc1)I 34a_100000724931_100011216261 [0,2,0,0,0,0|2,0,0]=4 6690 B14R1.19 O=C(CNCCF)c1ccc(cc1)O 34a_100000724931_100009814261 [0,2,0,0,0,0|2,0,0]=4 6691 B14R1.19 O=C(CNCCO)c1ccc(cc1)Br 34a_100016990907_100000188085 [0,2,0,0,0,0|2,0,0]=4 6692 B14R1.19 O=C(CNCCO)c1ccc(cc1)I 34a_100016990907_100011216261 [0,2,0,0,0,0|2,0,0]=4 6693 B14R1.19 O=C(CNCCO)c1ccc(cc1)O 34a_100016990907_100009814261 [0,2,0,0,0,0|2,0,0]=4 6694 B14R1.19 O=C(COCCBr)c1ccc(cc1)Br 34a_100000211926_100000188085 [0,2,0,0,0,0|1,0,0]=3 6695 B14R1.19 O=C(COCCBr)c1ccc(cc1)I 34a_100000211926_100011216261 [0,2,0,0,0,0|1,0,0]=3 6696 B14R1.19 O=C(COCCBr)c1ccc(cc1)O 34a_100000211926_100009814261 [0,2,0,0,0,0|1,0,0]=3 6697 B14R1.19 O=C(COCCF)c1ccc(cc1)F 34a_100000246311_100011217306 [0,2,0,0,0,0|1,0,0]=3 6698 B14R1.19 O=C(COCCO)c1ccc(cc1)F 34a_100000246311_100000211926 [0,2,0,0,0,0|1,0,0]=3 6699 B14R1.19 O=C(CSCCF)c1ccc(cc1)Br 62a_100000188085_100011217306 [0,2,0,0,0,0|1,1,0]=4 6700 B14R1.19 O=C(CSCCF)c1ccc(cc1)Cl 62a_100000211071_100011217306 [0,2,0,0,0,0|1,1,0]=4 6701 B14R1.19 O=C(CSCCF)c1ccc(cc1)Cl 62a_100011217306_100000211071 [0,2,0,0,0,0|1,1,0]=4 6702 B14R1.19 O=C(CSCCF)c1ccc(cc1)F 62a_100000211279_100011217306 [0,2,0,0,0,0|1,1,0]=4 6703 B14R1.19 O=C(CSCCF)c1ccc(cc1)F 62a_100011217306_100000211279 [0,2,0,0,0,0|1,1,0]=4 6704 B14R1.19 O=C(CSCCF)c1ccc(cc1)I 62a_100011216261_100011217306 [0,2,0,0,0,0|1,1,0]=4 6705 B14R1.19 O=C(CSCCF)c1ccc(cc1)I 62a_100011217306_100011216261 [0,2,0,0,0,0|1,1,0]=4 6706 B14R1.19 O=C(CSCCF)c1ccc(cc1)O 62a_100009814261_100011217306 [0,2,0,0,0,0|1,1,0]=4 6707 B14R1.19 O=C(CSCCF)c1ccc(cc1)O 62a_100011217306_100009814261 [0,2,0,0,0,0|1,1,0]=4 6708 B14R1.19 O=C(CSCCO)c1ccc(cc1)Br 62a_100000188085_100000211926 [0,2,0,0,0,0|1,1,0]=4 6709 B14R1.19 O=C(CSCCO)c1ccc(cc1)Cl 62a_100000211071_100000211926 [0,2,0,0,0,0|1,1,0]=4 6710 B14R1.19 O=C(CSCCO)c1ccc(cc1)Cl 62a_100000211926_100000211071 [0,2,0,0,0,0|1,1,0]=4 6711 B14R1.19 O=C(CSCCO)c1ccc(cc1)F 62a_100000211279_100000211926 [0,2,0,0,0,0|1,1,0]=4 6712 B14R1.19 O=C(CSCCO)c1ccc(cc1)F 62a_100000211926_100000211279 [0,2,0,0,0,0|1,1,0]=4 6713 B14R1.19 O=C(CSCCO)c1ccc(cc1)I 62a_100000211926_100011216261 [0,2,0,0,0,0|1,1,0]=4 6714 B14R1.19 O=C(CSCCO)c1ccc(cc1)I 62a_100011216261_100000211926 [0,2,0,0,0,0|1,1,0]=4 6715 B14R1.19 O=C(CSCCO)c1ccc(cc1)O 62a_100000211926_100009814261 [0,2,0,0,0,0|1,1,0]=4 6716 B14R1.19 O=C(CSCCO)c1ccc(cc1)O 62a_100009814261_100000211926 [0,2,0,0,0,0|1,1,0]=4 6717 B14R1.19 O=C(NCCCF)c1ccc(cc1)Br 11a_100015189416_100000185839 [0,2,0,0,0,0|1,0,0]=3 6718 B14R1.19 O=C(NCCCF)c1ccc(cc1)Br 1626a_100015189416_100000185839 [0,2,0,0,0,0|1,0,0]=3 6719 B14R1.19 O=C(NCCCF)c1ccc(cc1)Br 240690a_100015189416_100000185839 [0,2,0,0,0,0|1,0,0]=3 6720 B14R1.19 O=C(NCCCF)c1ccc(cc1)Br 527a_100015189416_100000185839 [0,2,0,0,0,0|1,0,0]=3 6721 B14R1.19 O=C(NCCCF)c1ccc(cc1)Cl 11a_100015189416_100000210187 [0,2,0,0,0,0|1,0,0]=3 6722 B14R1.19 O=C(NCCCF)c1ccc(cc1)Cl 1626a_100015189416_100000210187 [0,2,0,0,0,0|1,0,0]=3 6723 B14R1.19 O=C(NCCCF)c1ccc(cc1)Cl 240690a_100015189416_100000210187 [0,2,0,0,0,0|1,0,0]=3 6724 B14R1.19 O=C(NCCCF)c1ccc(cc1)Cl 527a_100015189416_100000210187 [0,2,0,0,0,0|1,0,0]=3 6725 B14R1.19 O=C(NCCCF)c1ccc(cc1)F 11a_100015189416_100000187176 [0,2,0,0,0,0|1,0,0]=3 6726 B14R1.19 O=C(NCCCF)c1ccc(cc1)F 1626a_100015189416_100000187176 [0,2,0,0,0,0|1,0,0]=3 6727 B14R1.19 O=C(NCCCF)c1ccc(cc1)F 240690a_100015189416_100000187176 [0,2,0,0,0,0|1,0,0]=3 6728 B14R1.19 O=C(NCCCF)c1ccc(cc1)F 527a_100015189416_100000187176 [0,2,0,0,0,0|1,0,0]=3 6729 B14R1.19 O=C(NCCCF)c1ccc(cc1)I 11a_100015189416_100000187904 [0,2,0,0,0,0|1,0,0]=3 6730 B14R1.19 O=C(NCCCF)c1ccc(cc1)I 1626a_100015189416_100000187904 [0,2,0,0,0,0|1,0,0]=3 6731 B14R1.19 O=C(NCCCF)c1ccc(cc1)I 240690a_100015189416_100000187904 [0,2,0,0,0,0|1,0,0]=3 6732 B14R1.19 O=C(NCCCF)c1ccc(cc1)I 527a_100015189416_100000187904 [0,2,0,0,0,0|1,0,0]=3 6733 B14R1.19 O=C(NCCCF)c1ccc(cc1)O 240690a_100015189416_100000212099 [0,2,0,0,0,0|1,0,0]=3 6734 B14R1.19 O=C(NCCCF)c1ccc(cc1)O 527a_100015189416_100000212099 [0,2,0,0,0,0|1,0,0]=3 6735 B14R1.19 O=C(NCCCO)c1ccc(cc1)Br 240690a_100000182051_100000185839 [0,2,0,0,0,0|1,0,0]=3 6736 B14R1.19 O=C(NCCCO)c1ccc(cc1)Br 527a_100000182051_100000185839 [0,2,0,0,0,0|1,0,0]=3 6737 B14R1.19 O=C(NCCCO)c1ccc(cc1)Cl 240690a_100000182051_100000210187 [0,2,0,0,0,0|1,0,0]=3 6738 B14R1.19 O=C(NCCCO)c1ccc(cc1)Cl 527a_100000182051_100000210187 [0,2,0,0,0,0|1,0,0]=3 6739 B14R1.19 O=C(NCCCO)c1ccc(cc1)F 240690a_100000182051_100000187176 [0,2,0,0,0,0|1,0,0]=3 6740 B14R1.19 O=C(NCCCO)c1ccc(cc1)F 527a_100000182051_100000187176 [0,2,0,0,0,0|1,0,0]=3 6741 B14R1.19 O=C(NCCCO)c1ccc(cc1)I 240690a_100000182051_100000187904 [0,2,0,0,0,0|1,0,0]=3 6742 B14R1.19 O=C(NCCCO)c1ccc(cc1)I 527a_100000182051_100000187904 [0,2,0,0,0,0|1,0,0]=3 6743 B14R1.19 O=C(NCCCO)c1ccc(cc1)O 240690a_100000182051_100000212099 [0,2,0,0,0,0|1,0,0]=3 6744 B14R1.19 O=C(NCCCO)c1ccc(cc1)O 527a_100000182051_100000212099 [0,2,0,0,0,0|1,0,0]=3 6745 B14R1.19 O=C(NNCCO)c1ccc(cc1)Br 22a_100000210001_100000185839 [0,2,0,0,0,0|2,0,0]=4 6746 B14R1.19 O=C(NNCCO)c1ccc(cc1)Cl 22a_100000210001_100000210187 [0,2,0,0,0,0|2,0,0]=4 6747 B14R1.19 O=C(NNCCO)c1ccc(cc1)F 22a_100000210001_100000187176 [0,2,0,0,0,0|2,0,0]=4 6748 B14R1.19 O=C(NNCCO)c1ccc(cc1)I 22a_100000210001_100000187904 [0,2,0,0,0,0|2,0,0]=4 6749 B14R1.19 O=C(NNCCO)c1ccc(cc1)O 22a_100000210001_100000212099 [0,2,0,0,0,0|2,0,0]=4 6750 B14R1.19 O=CCOCC(=O)c1ccc(cc1)F 34a_100000246311_200009817547 [0,2,0,0,0,0|1,0,1]=4 6751 B14R1.19 [13CH3]NCCNC(=O)c1ccc(cc1)Cl 2230a_100000736292_200025704644 [0,2,0,0,0,0|1,0,0]=3 6752 B14R1.19 [13CH3]NCCNC(=O)c1ccc(cc1)Cl 34a_100000736292_200025704644 [0,2,0,0,0,0|1,0,0]=3 6753 B14R1.19 [13CH3]NCCNC(=O)c1ccc(cc1)F 2230a_100000753910_200025704644 [0,2,0,0,0,0|1,0,0]=3 6754 B14R1.19 [13CH3]NCCNC(=O)c1ccc(cc1)F 34a_100000753910_200025704644 [0,2,0,0,0,0|1,0,0]=3 6755 B14R1.19 [13CH3]OCCNC(=O)c1ccc(cc1)Br 34a_200000158904_200025704644 [0,2,0,0,0,0|1,0,0]=3 6756 B14R1.19 [13CH3]OCCNC(=O)c1ccc(cc1)N 34a_100000740983_200025704644 [0,2,0,0,0,0|1,0,0]=3 6757 B14R1.19 [13CH3]SCCCC(=O)c1ccc(cc1)Br 62a_100000211046_200025704644 [0,2,0,0,0,0|1,0,0]=3 6758 B14R1.19 [13CH3]SCCCC(=O)c1ccc(cc1)Br 62a_200025704644_100000211046 [0,2,0,0,0,0|1,0,0]=3 6759 B14R1.19 [13CH3]SCCCC(=O)c1ccc(cc1)Cl 62a_200011217871_200025704644 [0,2,0,0,0,0|1,0,0]=3 6760 B14R1.19 [13CH3]SCCCC(=O)c1ccc(cc1)Cl 62a_200025704644_200011217871 [0,2,0,0,0,0|1,0,0]=3 6761 B14R1.19 [13CH3]SCCCC(=O)c1ccc(cc1)F 62a_100000211961_200025704644 [0,2,0,0,0,0|1,0,0]=3 6762 B14R1.19 [13CH3]SCCCC(=O)c1ccc(cc1)F 62a_200025704644_100000211961 [0,2,0,0,0,0|1,0,0]=3 6763 B14R1.19 [13CH3]SCCCC(=O)c1ccc(cc1)O 62a_200025704644_100000039620 [0,2,0,0,0,0|1,0,0]=3 6764 B14R1.19 [2H]C(OCCCC)c1ccc(cc1)F 34a_217856618577_100000210210 [0,2,0,0,0,0|1,0,1]=4 6765 B14R1.19 [2H]C(OCCCC)c1ccc(cc1)F 7a_217856618577_100000210211 [0,2,0,0,0,0|1,0,1]=4 6766 B14R1.19 [2H]C(OCCCF)c1ccc(cc1)F 34a_217856618577_100011934791 [0,2,0,0,0,0|1,0,1]=4 6767 B14R1.19 [2H]C(OCCCF)c1ccc(cc1)F 7a_217856618577_100011934791 [0,2,0,0,0,0|1,0,1]=4 6768 B14R1.19 [2H]C(OCCCO)c1ccc(cc1)F 34a_217856618577_100000230001 [0,2,0,0,0,0|1,0,1]=4 6769 B14R1.19 [2H]C(OCCCO)c1ccc(cc1)F 7a_217856618577_100011215043 [0,2,0,0,0,0|1,0,1]=4 6770 B14R1.19 [2H]C(OCCOC)c1ccc(cc1)F 34a_217856618577_100011201679 [0,2,0,0,0,0|1,0,1]=4 6771 B14R1.19 [2H]C(OCCOC)c1ccc(cc1)F 7a_217856618577_100000233755 [0,2,0,0,0,0|1,0,1]=4 6772 B14R1.19 [2H]C(OCCSC)c1ccc(cc1)F 34a_217856618577_100000212216 [0,2,0,0,0,0|1,0,1]=4 6773 B14R1.19 [2H]C(OCCSC)c1ccc(cc1)F 7a_217856618577_100000212216 [0,2,0,0,0,0|1,0,1]=4 6774 B14R1.21 C#CC(OCCC)c1ccc(cc1)Cl 34a_100011470666_100000210303 [0,2,0,0,0,0|1,0,1]=4 6775 B14R1.21 C#CC(OCCC)c1ccc(cc1)Cl 7a_100011470666_100000210303 [0,2,0,0,0,0|1,0,1]=4 6776 B14R1.21 CCCOC(CC)c1ccc(cc1)Br 34a_100000246506_100000210303 [0,2,0,0,0,0|1,0,1]=4 6777 B14R1.21 CCCOC(CC)c1ccc(cc1)Br 7a_100000246506_100000210303 [0,2,0,0,0,0|1,0,1]=4 6778 B14R1.21 CCCOC(CC)c1ccc(cc1)C 34a_100000246521_100000210303 [0,2,0,0,0,0|1,0,1]=4 6779 B14R1.21 CCCOC(CC)c1ccc(cc1)C 7a_100000246521_100000210303 [0,2,0,0,0,0|1,0,1]=4 6780 B14R1.21 CCCOC(CC)c1ccc(cc1)Cl 34a_100000246471_100000210303 [0,2,0,0,0,0|1,0,1]=4 6781 B14R1.21 CCCOC(CC)c1ccc(cc1)Cl 7a_100000246471_100000210303 [0,2,0,0,0,0|1,0,1]=4 6782 B14R1.21 CCCOC(CC)c1ccc(cc1)F 34a_100000246474_100000210303 [0,2,0,0,0,0|1,0,1]=4 6783 B14R1.21 CCCOC(CC)c1ccc(cc1)F 7a_100000246474_100000210303 [0,2,0,0,0,0|1,0,1]=4 6784 B14R1.21 CCCOC(CCl)c1ccc(cc1)Cl 34a_200011996143_100000210303 [0,2,0,0,0,0|1,0,1]=4 6785 B14R1.21 CCCOC(CCl)c1ccc(cc1)Cl 7a_200011996143_100000210303 [0,2,0,0,0,0|1,0,1]=4 6786 B14R1.21 CCCOC(CN)c1ccc(cc1)Br 34a_100020626992_100000210303 [0,2,0,0,0,0|1,0,1]=4 6787 B14R1.21 CCCOC(CN)c1ccc(cc1)Cl 34a_100000736658_100000210303 [0,2,0,0,0,0|1,0,1]=4 6788 B14R1.21 CCCO[C@@H](C#N)c1ccc(cc1)C 34a_200009814964_100000210303 [0,2,0,0,0,0|1,0,1]=4 6789 B14R1.21 CCCO[C@@H](C#N)c1ccc(cc1)C 7a_200009814964_100000210303 [0,2,0,0,0,0|1,0,1]=4 6790 B14R1.21 CCCO[C@@H](CCl)c1ccc(cc1)F 34a_100000720402_100000210303 [0,2,0,0,0,0|1,0,1]=4 6791 B14R1.21 CCCO[C@@H](CCl)c1ccc(cc1)F 7a_100000720402_100000210303 [0,2,0,0,0,0|1,0,1]=4 6792 B14R1.35 CC(CCO)C(=O)c1ccc(cc1)Br 1458a_100000185839_100009893172 [0,2,0,0,0,0|2,0,0]=4 6793 B14R1.35 CC(CCO)C(=O)c1ccc(cc1)Cl 1458a_100000210187_100009893172 [0,2,0,0,0,0|2,0,0]=4 6794 B14R1.35 CC(CCO)C(=O)c1ccc(cc1)F 1458a_100000187176_100009893172 [0,2,0,0,0,0|2,0,0]=4 6795 B14R1.35 CC(CCO)C(=O)c1ccc(cc1)I 1458a_100000187904_100009893172 [0,2,0,0,0,0|2,0,0]=4 6796 B14R1.35 CC(CCO)C(=O)c1ccc(cc1)O 1458a_100000212099_100009893172 [0,2,0,0,0,0|2,0,0]=4 6797 B14R1.35 CCCC(C)C(=O)c1ccc(cc1)Br 1458a_100000185839_100000766640 [0,2,0,0,0,0|1,0,0]=3 6798 B14R1.35 CCCC(C)C(=O)c1ccc(cc1)C 1458a_100000188618_100000766640 [0,2,0,0,0,0|1,0,0]=3 6799 B14R1.35 CCCC(C)C(=O)c1ccc(cc1)Cl 1458a_100000210187_100000766640 [0,2,0,0,0,0|1,0,0]=3 6800 B14R1.35 CCCC(C)C(=O)c1ccc(cc1)F 1458a_100000187176_100000766640 [0,2,0,0,0,0|1,0,0]=3 6801 B14R1.35 CCCC(C)C(=O)c1ccc(cc1)I 1458a_100000187904_100000766640 [0,2,0,0,0,0|1,0,0]=3 6802 B14R1.35 CCCC(C)C(=O)c1ccc(cc1)O 1458a_100000212099_100000766640 [0,2,0,0,0,0|1,0,0]=3 6803 B14R1.35 CCCN(C)C(=O)c1ccc(cc1)Br 11a_100000747261_100000185839 [0,2,0,0,0,0|1,0,0]=3 6804 B14R1.35 CCCN(C)C(=O)c1ccc(cc1)Br 1626a_100000747261_100000185839 [0,2,0,0,0,0|1,0,0]=3 6805 B14R1.35 CCCN(C)C(=O)c1ccc(cc1)Br 240690a_100000747261_100000185839 [0,2,0,0,0,0|1,0,0]=3 6806 B14R1.35 CCCN(C)C(=O)c1ccc(cc1)Br 527a_100000747261_100000185839 [0,2,0,0,0,0|1,0,0]=3 6807 B14R1.35 CCCN(C)C(=O)c1ccc(cc1)C 11a_100000747261_100000188618 [0,2,0,0,0,0|1,0,0]=3 6808 B14R1.35 CCCN(C)C(=O)c1ccc(cc1)C 1626a_100000747261_100000188618 [0,2,0,0,0,0|1,0,0]=3 6809 B14R1.35 CCCN(C)C(=O)c1ccc(cc1)C 240690a_100000747261_100000188618 [0,2,0,0,0,0|1,0,0]=3 6810 B14R1.35 CCCN(C)C(=O)c1ccc(cc1)C 527a_100000747261_100000188618 [0,2,0,0,0,0|1,0,0]=3 6811 B14R1.35 CCCN(C)C(=O)c1ccc(cc1)Cl 11a_100000747261_100000210187 [0,2,0,0,0,0|1,0,0]=3 6812 B14R1.35 CCCN(C)C(=O)c1ccc(cc1)Cl 1626a_100000747261_100000210187 [0,2,0,0,0,0|1,0,0]=3 6813 B14R1.35 CCCN(C)C(=O)c1ccc(cc1)Cl 240690a_100000747261_100000210187 [0,2,0,0,0,0|1,0,0]=3 6814 B14R1.35 CCCN(C)C(=O)c1ccc(cc1)Cl 527a_100000747261_100000210187 [0,2,0,0,0,0|1,0,0]=3 6815 B14R1.35 CCCN(C)C(=O)c1ccc(cc1)F 11a_100000747261_100000187176 [0,2,0,0,0,0|1,0,0]=3 6816 B14R1.35 CCCN(C)C(=O)c1ccc(cc1)F 1626a_100000747261_100000187176 [0,2,0,0,0,0|1,0,0]=3 6817 B14R1.35 CCCN(C)C(=O)c1ccc(cc1)F 240690a_100000747261_100000187176 [0,2,0,0,0,0|1,0,0]=3 6818 B14R1.35 CCCN(C)C(=O)c1ccc(cc1)F 527a_100000747261_100000187176 [0,2,0,0,0,0|1,0,0]=3 6819 B14R1.35 CCCN(C)C(=O)c1ccc(cc1)I 11a_100000747261_100000187904 [0,2,0,0,0,0|1,0,0]=3 6820 B14R1.35 CCCN(C)C(=O)c1ccc(cc1)I 1626a_100000747261_100000187904 [0,2,0,0,0,0|1,0,0]=3 6821 B14R1.35 CCCN(C)C(=O)c1ccc(cc1)I 240690a_100000747261_100000187904 [0,2,0,0,0,0|1,0,0]=3 6822 B14R1.35 CCCN(C)C(=O)c1ccc(cc1)I 527a_100000747261_100000187904 [0,2,0,0,0,0|1,0,0]=3 6823 B14R1.35 CCCN(C)C(=O)c1ccc(cc1)O 240690a_100000747261_100000212099 [0,2,0,0,0,0|1,0,0]=3 6824 B14R1.35 CCCN(C)C(=O)c1ccc(cc1)O 527a_100000747261_100000212099 [0,2,0,0,0,0|1,0,0]=3 6825 B14R1.35 CCNC(C)C(=O)c1ccc(cc1)Br 2230a_100015525214_100000184162 [0,2,0,0,0,0|2,0,0]=4 6826 B14R1.35 CCNC(C)C(=O)c1ccc(cc1)C 2230a_100015525214_100000726416 [0,2,0,0,0,0|2,0,0]=4 6827 B14R1.35 CCNC(C)C(=O)c1ccc(cc1)Cl 2230a_100015525214_100000183210 [0,2,0,0,0,0|2,0,0]=4 6828 B14R1.35 CCNC(C)C(=O)c1ccc(cc1)F 2230a_100015525214_100000229918 [0,2,0,0,0,0|2,0,0]=4 6829 B14R1.35 CCNC(C)C(=O)c1ccc(cc1)O 2230a_100015525214_200010205864 [0,2,0,0,0,0|2,0,0]=4 6830 B14R1.35 CCOC(=O)C(=O)c1ccc(cc1)O 271570a_203496583355_100011512959 [0,2,0,0,0,0|2,0,0]=4 6831 B14R1.35 CCOC(C)C(=O)c1ccc(cc1)Br 34a_100121572206_100000184162 [0,2,0,0,0,0|2,0,0]=4 6832 B14R1.35 CCOC(C)C(=O)c1ccc(cc1)C 34a_100121572206_100000726416 [0,2,0,0,0,0|2,0,0]=4 6833 B14R1.35 CCOC(C)C(=O)c1ccc(cc1)F 34a_100121572206_100000229918 [0,2,0,0,0,0|2,0,0]=4 6834 B14R1.35 CCOC(C)C(=O)c1ccc(cc1)O 34a_100121572206_200010205864 [0,2,0,0,0,0|2,0,0]=4 6835 B14R1.35 CCSC(C)C(=O)c1ccc(cc1)Br 62a_100000184162_100000210202 [0,2,0,0,0,0|2,0,0]=4 6836 B14R1.35 CCSC(C)C(=O)c1ccc(cc1)Br 62a_100000210202_100000184162 [0,2,0,0,0,0|2,0,0]=4 6837 B14R1.35 CCSC(C)C(=O)c1ccc(cc1)C 62a_100000210202_100000726416 [0,2,0,0,0,0|2,0,0]=4 6838 B14R1.35 CCSC(C)C(=O)c1ccc(cc1)C 62a_100000726416_100000210202 [0,2,0,0,0,0|2,0,0]=4 6839 B14R1.35 CCSC(C)C(=O)c1ccc(cc1)Cl 62a_100000183210_100000210202 [0,2,0,0,0,0|2,0,0]=4 6840 B14R1.35 CCSC(C)C(=O)c1ccc(cc1)Cl 62a_100000210202_100000183210 [0,2,0,0,0,0|2,0,0]=4 6841 B14R1.35 CCSC(C)C(=O)c1ccc(cc1)F 62a_100000210202_100000229918 [0,2,0,0,0,0|2,0,0]=4 6842 B14R1.35 CCSC(C)C(=O)c1ccc(cc1)F 62a_100000229918_100000210202 [0,2,0,0,0,0|2,0,0]=4 6843 B14R1.35 CCSC(C)C(=O)c1ccc(cc1)O 62a_100000210202_200010205864 [0,2,0,0,0,0|2,0,0]=4 6844 B14R1.35 CCSC(C)C(=O)c1ccc(cc1)O 62a_200010205864_100000210202 [0,2,0,0,0,0|2,0,0]=4 6845 B14R1.35 CN(CCO)C(=O)c1ccc(cc1)Br 240690a_100000210263_100000185839 [0,2,0,0,0,0|2,0,0]=4 6846 B14R1.35 CN(CCO)C(=O)c1ccc(cc1)Br 527a_100000210263_100000185839 [0,2,0,0,0,0|2,0,0]=4 6847 B14R1.35 CN(CCO)C(=O)c1ccc(cc1)Cl 240690a_100000210263_100000210187 [0,2,0,0,0,0|2,0,0]=4 6848 B14R1.35 CN(CCO)C(=O)c1ccc(cc1)Cl 527a_100000210263_100000210187 [0,2,0,0,0,0|2,0,0]=4 6849 B14R1.35 CN(CCO)C(=O)c1ccc(cc1)F 240690a_100000210263_100000187176 [0,2,0,0,0,0|2,0,0]=4 6850 B14R1.35 CN(CCO)C(=O)c1ccc(cc1)F 527a_100000210263_100000187176 [0,2,0,0,0,0|2,0,0]=4 6851 B14R1.35 CN(CCO)C(=O)c1ccc(cc1)I 240690a_100000210263_100000187904 [0,2,0,0,0,0|2,0,0]=4 6852 B14R1.35 CN(CCO)C(=O)c1ccc(cc1)I 527a_100000210263_100000187904 [0,2,0,0,0,0|2,0,0]=4 6853 B14R1.35 CN(CCO)C(=O)c1ccc(cc1)O 240690a_100000210263_100000212099 [0,2,0,0,0,0|2,0,0]=4 6854 B14R1.35 CN(CCO)C(=O)c1ccc(cc1)O 527a_100000210263_100000212099 [0,2,0,0,0,0|2,0,0]=4 6855 B14R1.35 COCC(C)C(=O)c1ccc(cc1)Br 1458a_100000185839_100000765312 [0,2,0,0,0,0|2,0,0]=4 6856 B14R1.35 COCC(C)C(=O)c1ccc(cc1)C 1458a_100000188618_100000765312 [0,2,0,0,0,0|2,0,0]=4 6857 B14R1.35 COCC(C)C(=O)c1ccc(cc1)Cl 1458a_100000210187_100000765312 [0,2,0,0,0,0|2,0,0]=4 6858 B14R1.35 COCC(C)C(=O)c1ccc(cc1)F 1458a_100000187176_100000765312 [0,2,0,0,0,0|2,0,0]=4 6859 B14R1.35 COCC(C)C(=O)c1ccc(cc1)I 1458a_100000187904_100000765312 [0,2,0,0,0,0|2,0,0]=4 6860 B14R1.35 COCC(C)C(=O)c1ccc(cc1)O 1458a_100000212099_100000765312 [0,2,0,0,0,0|2,0,0]=4 6861 B14R1.35 Cc1ccc(cc1)C(=O)C(C)CCO 1458a_100000188618_100009893172 [0,2,0,0,0,0|2,0,0]=4 6862 B14R1.35 Cc1ccc(cc1)C(=O)N(C)CCO 240690a_100000210263_100000188618 [0,2,0,0,0,0|2,0,0]=4 6863 B14R1.35 Cc1ccc(cc1)C(=O)N(C)CCO 527a_100000210263_100000188618 [0,2,0,0,0,0|2,0,0]=4 6864 B14R1.125 CCCCS(=O)(=O)c1ccc(cc1)O 271570a_203496583355_200009816173 [0,2,0,0,0,0|2,0,0]=4 6865 B14R1.125 CCCNS(=O)(=O)c1ccc(cc1)Br 270084a_100020643023_100000182491 [0,2,0,0,0,0|2,0,0]=4 6866 B14R1.125 CCCNS(=O)(=O)c1ccc(cc1)Br 274078a_100020643023_100000182491 [0,2,0,0,0,0|2,0,0]=4 6867 B14R1.125 CCCNS(=O)(=O)c1ccc(cc1)Br 40a_100020643023_100010306709 [0,2,0,0,0,0|2,0,0]=4 6868 B14R1.125 CCCNS(=O)(=O)c1ccc(cc1)C 270084a_100020643023_100000211267 [0,2,0,0,0,0|2,0,0]=4 6869 B14R1.125 CCCNS(=O)(=O)c1ccc(cc1)C 274078a_100020643023_100000211267 [0,2,0,0,0,0|2,0,0]=4 6870 B14R1.125 CCCNS(=O)(=O)c1ccc(cc1)C 40a_100020643023_100000039673 [0,2,0,0,0,0|2,0,0]=4 6871 B14R1.125 CCCNS(=O)(=O)c1ccc(cc1)Cl 270084a_100020643023_100000209962 [0,2,0,0,0,0|2,0,0]=4 6872 B14R1.125 CCCNS(=O)(=O)c1ccc(cc1)Cl 274078a_100020643023_100000209962 [0,2,0,0,0,0|2,0,0]=4 6873 B14R1.125 CCCNS(=O)(=O)c1ccc(cc1)Cl 40a_100020643023_100000077732 [0,2,0,0,0,0|2,0,0]=4 6874 B14R1.125 CCCNS(=O)(=O)c1ccc(cc1)F 270084a_100020643023_100000184267 [0,2,0,0,0,0|2,0,0]=4 6875 B14R1.125 CCCNS(=O)(=O)c1ccc(cc1)F 274078a_100020643023_100000184267 [0,2,0,0,0,0|2,0,0]=4 6876 B14R1.125 CCCNS(=O)(=O)c1ccc(cc1)F 40a_100020643023_100000081159 [0,2,0,0,0,0|2,0,0]=4 6877 B14R1.125 CCCNS(=O)(=O)c1ccc(cc1)I 270084a_100020643023_100011205396 [0,2,0,0,0,0|2,0,0]=4 6878 B14R1.125 CCCNS(=O)(=O)c1ccc(cc1)I 274078a_100020643023_100011205396 [0,2,0,0,0,0|2,0,0]=4 6879 B14R1.125 CCCNS(=O)(=O)c1ccc(cc1)N 40a_100020643023_100000054796 [0,2,0,0,0,0|2,0,0]=4 6880 B14R1.125 CCCNS(=O)(=O)c1ccc(cc1)O 270084a_100020643023_100020667864 [0,2,0,0,0,0|2,0,0]=4 6881 B14R1.125 CCCNS(=O)(=O)c1ccc(cc1)O 271570a_203496583355_100000165445 [0,2,0,0,0,0|2,0,0]=4 6882 B14R1.125 CCCNS(=O)(=O)c1ccc(cc1)O 274078a_100020643023_100020667864 [0,2,0,0,0,0|2,0,0]=4 6883 B14R1.125 CCCOC(C)(C)c1ccc(cc1)Br 34a_100000753367_100000210303 [0,2,0,0,0,0|1,0,1]=4 6884 B14R1.125 CCCOC(C)(C)c1ccc(cc1)Br 7a_100000753367_100000210303 [0,2,0,0,0,0|1,0,1]=4 6885 B14R1.125 CCCOC(C)(C)c1ccc(cc1)C 34a_200011345916_100000210303 [0,2,0,0,0,0|1,0,1]=4 6886 B14R1.125 CCCOC(C)(C)c1ccc(cc1)C 7a_200011345916_100000210303 [0,2,0,0,0,0|1,0,1]=4 6887 B14R1.125 CCCOC(C)(C)c1ccc(cc1)Cl 34a_100000750429_100000210303 [0,2,0,0,0,0|1,0,1]=4 6888 B14R1.125 CCCOC(C)(C)c1ccc(cc1)Cl 7a_100000750429_100000210303 [0,2,0,0,0,0|1,0,1]=4 6889 B14R1.125 CCCOC(C)(C)c1ccc(cc1)F 34a_100011219992_100000210303 [0,2,0,0,0,0|1,0,1]=4 6890 B14R1.125 CCCOC(C)(C)c1ccc(cc1)F 7a_100011219992_100000210303 [0,2,0,0,0,0|1,0,1]=4 6891 B14R1.678 C=C(C)CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000730704 [0,2,0,0,0,0|1,0,1]=4 6892 B14R1.678 C=C(C)CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000730704 [0,2,0,0,0,0|1,0,1]=4 6893 B14R1.678 C=C(C)CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000730704 [0,2,0,0,0,0|1,0,1]=4 6894 B14R1.678 C=C(C)CCC(=O)c1ccc(cc1)F 1458a_100000187176_100000730704 [0,2,0,0,0,0|1,0,1]=4 6895 B14R1.678 C=C(C)CCC(=O)c1ccc(cc1)I 1458a_100000187904_100000730704 [0,2,0,0,0,0|1,0,1]=4 6896 B14R1.678 C=C(C)CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000730704 [0,2,0,0,0,0|1,0,1]=4 6897 B14R1.678 C=C(C)CNC(=O)c1ccc(cc1)Br 11a_100000765925_100000185839 [0,2,0,0,0,0|1,0,1]=4 6898 B14R1.678 C=C(C)CNC(=O)c1ccc(cc1)Br 1626a_100000765925_100000185839 [0,2,0,0,0,0|1,0,1]=4 6899 B14R1.678 C=C(C)CNC(=O)c1ccc(cc1)Br 240690a_100000765925_100000185839 [0,2,0,0,0,0|1,0,1]=4 6900 B14R1.678 C=C(C)CNC(=O)c1ccc(cc1)Br 527a_100000765925_100000185839 [0,2,0,0,0,0|1,0,1]=4 6901 B14R1.678 C=C(C)CNC(=O)c1ccc(cc1)C 11a_100000765925_100000188618 [0,2,0,0,0,0|1,0,1]=4 6902 B14R1.678 C=C(C)CNC(=O)c1ccc(cc1)C 1626a_100000765925_100000188618 [0,2,0,0,0,0|1,0,1]=4 6903 B14R1.678 C=C(C)CNC(=O)c1ccc(cc1)C 240690a_100000765925_100000188618 [0,2,0,0,0,0|1,0,1]=4 6904 B14R1.678 C=C(C)CNC(=O)c1ccc(cc1)C 527a_100000765925_100000188618 [0,2,0,0,0,0|1,0,1]=4 6905 B14R1.678 C=C(C)CNC(=O)c1ccc(cc1)Cl 11a_100000765925_100000210187 [0,2,0,0,0,0|1,0,1]=4 6906 B14R1.678 C=C(C)CNC(=O)c1ccc(cc1)Cl 1626a_100000765925_100000210187 [0,2,0,0,0,0|1,0,1]=4 6907 B14R1.678 C=C(C)CNC(=O)c1ccc(cc1)Cl 240690a_100000765925_100000210187 [0,2,0,0,0,0|1,0,1]=4 6908 B14R1.678 C=C(C)CNC(=O)c1ccc(cc1)Cl 527a_100000765925_100000210187 [0,2,0,0,0,0|1,0,1]=4 6909 B14R1.678 C=C(C)CNC(=O)c1ccc(cc1)F 11a_100000765925_100000187176 [0,2,0,0,0,0|1,0,1]=4 6910 B14R1.678 C=C(C)CNC(=O)c1ccc(cc1)F 1626a_100000765925_100000187176 [0,2,0,0,0,0|1,0,1]=4 6911 B14R1.678 C=C(C)CNC(=O)c1ccc(cc1)F 240690a_100000765925_100000187176 [0,2,0,0,0,0|1,0,1]=4 6912 B14R1.678 C=C(C)CNC(=O)c1ccc(cc1)F 527a_100000765925_100000187176 [0,2,0,0,0,0|1,0,1]=4 6913 B14R1.678 C=C(C)CNC(=O)c1ccc(cc1)I 11a_100000765925_100000187904 [0,2,0,0,0,0|1,0,1]=4 6914 B14R1.678 C=C(C)CNC(=O)c1ccc(cc1)I 1626a_100000765925_100000187904 [0,2,0,0,0,0|1,0,1]=4 6915 B14R1.678 C=C(C)CNC(=O)c1ccc(cc1)I 240690a_100000765925_100000187904 [0,2,0,0,0,0|1,0,1]=4 6916 B14R1.678 C=C(C)CNC(=O)c1ccc(cc1)I 527a_100000765925_100000187904 [0,2,0,0,0,0|1,0,1]=4 6917 B14R1.678 C=C(C)CNC(=O)c1ccc(cc1)O 240690a_100000765925_100000212099 [0,2,0,0,0,0|1,0,1]=4 6918 B14R1.678 C=C(C)CNC(=O)c1ccc(cc1)O 527a_100000765925_100000212099 [0,2,0,0,0,0|1,0,1]=4 6919 B14R1.678 CC(=O)CCC(=O)c1ccc(cc1)C 1458a_100000070787_100000701375 [0,2,0,0,0,0|1,0,1]=4 6920 B14R1.678 CC(=O)CCC(=O)c1ccc(cc1)F 1458a_100000070787_100000211231 [0,2,0,0,0,0|1,0,1]=4 6921 B14R1.678 CC(=O)CNC(=O)c1ccc(cc1)C 1458a_100000183637_200000210301 [0,2,0,0,0,0|1,0,1]=4 6922 B14R1.678 CC(=O)CNC(=O)c1ccc(cc1)Cl 1458a_100000182666_200000210301 [0,2,0,0,0,0|1,0,1]=4 6923 B14R1.678 CC(=O)CNC(=O)c1ccc(cc1)F 1458a_100000183488_200000210301 [0,2,0,0,0,0|1,0,1]=4 6924 B14R1.678 CC(=O)CNC(=O)c1ccc(cc1)O 1458a_100000205570_200000210301 [0,2,0,0,0,0|1,0,1]=4 6925 B14R1.678 CC(=O)COC(=O)c1ccc(cc1)O 271570a_203496583355_200027936475 [0,2,0,0,0,0|0,0,1]=3 6926 B14R1.678 CC(Br)COC(C)c1ccc(cc1)Br 34a_100012180447_100000755118 [0,2,0,0,0,0|1,0,1]=4 6927 B14R1.678 CC(Br)COC(C)c1ccc(cc1)F 34a_100012180447_100000743420 [0,2,0,0,0,0|1,0,1]=4 6928 B14R1.678 CC(C)CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210312 [0,2,0,0,0,0|1,0,0]=3 6929 B14R1.678 CC(C)CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210312 [0,2,0,0,0,0|1,0,0]=3 6930 B14R1.678 CC(C)CCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210312 [0,2,0,0,0,0|1,0,0]=3 6931 B14R1.678 CC(C)CCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210312 [0,2,0,0,0,0|1,0,0]=3 6932 B14R1.678 CC(C)CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210312 [0,2,0,0,0,0|1,0,0]=3 6933 B14R1.678 CC(C)CNC(=O)c1ccc(cc1)Br 11a_100000210953_100000185839 [0,2,0,0,0,0|1,0,0]=3 6934 B14R1.678 CC(C)CNC(=O)c1ccc(cc1)Br 1626a_100000210953_100000185839 [0,2,0,0,0,0|1,0,0]=3 6935 B14R1.678 CC(C)CNC(=O)c1ccc(cc1)Br 240690a_100000210953_100000185839 [0,2,0,0,0,0|1,0,0]=3 6936 B14R1.678 CC(C)CNC(=O)c1ccc(cc1)Br 527a_100000210953_100000185839 [0,2,0,0,0,0|1,0,0]=3 6937 B14R1.678 CC(C)CNC(=O)c1ccc(cc1)Cl 11a_100000210953_100000210187 [0,2,0,0,0,0|1,0,0]=3 6938 B14R1.678 CC(C)CNC(=O)c1ccc(cc1)Cl 1626a_100000210953_100000210187 [0,2,0,0,0,0|1,0,0]=3 6939 B14R1.678 CC(C)CNC(=O)c1ccc(cc1)Cl 240690a_100000210953_100000210187 [0,2,0,0,0,0|1,0,0]=3 6940 B14R1.678 CC(C)CNC(=O)c1ccc(cc1)Cl 527a_100000210953_100000210187 [0,2,0,0,0,0|1,0,0]=3 6941 B14R1.678 CC(C)CNC(=O)c1ccc(cc1)F 11a_100000210953_100000187176 [0,2,0,0,0,0|1,0,0]=3 6942 B14R1.678 CC(C)CNC(=O)c1ccc(cc1)F 1626a_100000210953_100000187176 [0,2,0,0,0,0|1,0,0]=3 6943 B14R1.678 CC(C)CNC(=O)c1ccc(cc1)F 240690a_100000210953_100000187176 [0,2,0,0,0,0|1,0,0]=3 6944 B14R1.678 CC(C)CNC(=O)c1ccc(cc1)F 527a_100000210953_100000187176 [0,2,0,0,0,0|1,0,0]=3 6945 B14R1.678 CC(C)CNC(=O)c1ccc(cc1)I 11a_100000210953_100000187904 [0,2,0,0,0,0|1,0,0]=3 6946 B14R1.678 CC(C)CNC(=O)c1ccc(cc1)I 1626a_100000210953_100000187904 [0,2,0,0,0,0|1,0,0]=3 6947 B14R1.678 CC(C)CNC(=O)c1ccc(cc1)I 240690a_100000210953_100000187904 [0,2,0,0,0,0|1,0,0]=3 6948 B14R1.678 CC(C)CNC(=O)c1ccc(cc1)I 527a_100000210953_100000187904 [0,2,0,0,0,0|1,0,0]=3 6949 B14R1.678 CC(C)CNC(=O)c1ccc(cc1)O 240690a_100000210953_100000212099 [0,2,0,0,0,0|1,0,0]=3 6950 B14R1.678 CC(C)CNC(=O)c1ccc(cc1)O 271570a_203496583355_200000155730 [0,2,0,0,0,0|1,0,0]=3 6951 B14R1.678 CC(C)CNC(=O)c1ccc(cc1)O 527a_100000210953_100000212099 [0,2,0,0,0,0|1,0,0]=3 6952 B14R1.678 CC(C)COC(C)c1ccc(cc1)Br 34a_100000210257_100000755118 [0,2,0,0,0,0|1,0,1]=4 6953 B14R1.678 CC(C)COC(C)c1ccc(cc1)Br 34a_100000745893_100000210624 [0,2,0,0,0,0|1,0,1]=4 6954 B14R1.678 CC(C)COC(C)c1ccc(cc1)Br 7a_100000745893_100000210760 [0,2,0,0,0,0|1,0,1]=4 6955 B14R1.678 CC(C)COC(C)c1ccc(cc1)F 34a_100000181323_100000210624 [0,2,0,0,0,0|1,0,1]=4 6956 B14R1.678 CC(C)COC(C)c1ccc(cc1)F 34a_100000210257_100000743420 [0,2,0,0,0,0|1,0,1]=4 6957 B14R1.678 CC(C)COC(C)c1ccc(cc1)F 7a_100000181323_100000210760 [0,2,0,0,0,0|1,0,1]=4 6958 B14R1.678 CC(C)COC(C)c1ccc(cc1)N 34a_100011216399_100000210624 [0,2,0,0,0,0|1,0,1]=4 6959 B14R1.678 CC(C)CO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100000210624 [0,2,0,0,0,0|1,0,1]=4 6960 B14R1.678 CC(C)CO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100000210760 [0,2,0,0,0,0|1,0,1]=4 6961 B14R1.678 CC(C)NCC(=O)c1ccc(cc1)Br 34a_100138425928_100000188085 [0,2,0,0,0,0|2,0,0]=4 6962 B14R1.678 CC(C)NCC(=O)c1ccc(cc1)I 34a_100138425928_100011216261 [0,2,0,0,0,0|2,0,0]=4 6963 B14R1.678 CC(C)NCC(=O)c1ccc(cc1)O 34a_100138425928_100009814261 [0,2,0,0,0,0|2,0,0]=4 6964 B14R1.678 CC(C)NNC(=O)c1ccc(cc1)Br 22a_100000741168_100000185839 [0,2,0,0,0,0|2,0,0]=4 6965 B14R1.678 CC(C)NNC(=O)c1ccc(cc1)Cl 22a_100000741168_100000210187 [0,2,0,0,0,0|2,0,0]=4 6966 B14R1.678 CC(C)NNC(=O)c1ccc(cc1)F 22a_100000741168_100000187176 [0,2,0,0,0,0|2,0,0]=4 6967 B14R1.678 CC(C)NNC(=O)c1ccc(cc1)I 22a_100000741168_100000187904 [0,2,0,0,0,0|2,0,0]=4 6968 B14R1.678 CC(C)NNC(=O)c1ccc(cc1)O 22a_100000741168_100000212099 [0,2,0,0,0,0|2,0,0]=4 6969 B14R1.678 CC(C)OCC(=O)c1ccc(cc1)Br 34a_100000212225_100000188085 [0,2,0,0,0,0|2,0,0]=4 6970 B14R1.678 CC(C)OCC(=O)c1ccc(cc1)F 34a_100000246311_100000210206 [0,2,0,0,0,0|2,0,0]=4 6971 B14R1.678 CC(C)OCC(=O)c1ccc(cc1)I 34a_100000212225_100011216261 [0,2,0,0,0,0|2,0,0]=4 6972 B14R1.678 CC(C)OCC(=O)c1ccc(cc1)O 34a_100000212225_100009814261 [0,2,0,0,0,0|2,0,0]=4 6973 B14R1.678 CC(C)SCC(=O)c1ccc(cc1)Br 62a_100000188085_100000210206 [0,2,0,0,0,0|2,0,0]=4 6974 B14R1.678 CC(C)SCC(=O)c1ccc(cc1)Cl 62a_100000210206_100000211071 [0,2,0,0,0,0|2,0,0]=4 6975 B14R1.678 CC(C)SCC(=O)c1ccc(cc1)Cl 62a_100000211071_100000210206 [0,2,0,0,0,0|2,0,0]=4 6976 B14R1.678 CC(C)SCC(=O)c1ccc(cc1)F 62a_100000210206_100000211279 [0,2,0,0,0,0|2,0,0]=4 6977 B14R1.678 CC(C)SCC(=O)c1ccc(cc1)F 62a_100000211279_100000210206 [0,2,0,0,0,0|2,0,0]=4 6978 B14R1.678 CC(C)SCC(=O)c1ccc(cc1)I 62a_100000210206_100011216261 [0,2,0,0,0,0|2,0,0]=4 6979 B14R1.678 CC(C)SCC(=O)c1ccc(cc1)I 62a_100011216261_100000210206 [0,2,0,0,0,0|2,0,0]=4 6980 B14R1.678 CC(C)SCC(=O)c1ccc(cc1)O 62a_100000210206_100009814261 [0,2,0,0,0,0|2,0,0]=4 6981 B14R1.678 CC(C)SCC(=O)c1ccc(cc1)O 62a_100009814261_100000210206 [0,2,0,0,0,0|2,0,0]=4 6982 B14R1.678 CC(F)COC(C)c1ccc(cc1)Br 34a_100015925927_100000755118 [0,2,0,0,0,0|1,0,1]=4 6983 B14R1.678 CC(F)COC(C)c1ccc(cc1)F 34a_100015925927_100000743420 [0,2,0,0,0,0|1,0,1]=4 6984 B14R1.678 CC(O)CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100012276601 [0,2,0,0,0,0|1,0,0]=3 6985 B14R1.678 CC(O)CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100012276601 [0,2,0,0,0,0|1,0,0]=3 6986 B14R1.678 CC(O)CCC(=O)c1ccc(cc1)F 1458a_100000187176_100012276601 [0,2,0,0,0,0|1,0,0]=3 6987 B14R1.678 CC(O)CCC(=O)c1ccc(cc1)I 1458a_100000187904_100012276601 [0,2,0,0,0,0|1,0,0]=3 6988 B14R1.678 CC(O)CCC(=O)c1ccc(cc1)O 1458a_100000212099_100012276601 [0,2,0,0,0,0|1,0,0]=3 6989 B14R1.678 CC(O)CNC(=O)c1ccc(cc1)Br 11a_100000210904_100000185839 [0,2,0,0,0,0|1,0,0]=3 6990 B14R1.678 CC(O)CNC(=O)c1ccc(cc1)Br 240690a_100000210904_100000185839 [0,2,0,0,0,0|1,0,0]=3 6991 B14R1.678 CC(O)CNC(=O)c1ccc(cc1)Br 527a_100000210904_100000185839 [0,2,0,0,0,0|1,0,0]=3 6992 B14R1.678 CC(O)CNC(=O)c1ccc(cc1)Cl 11a_100000210904_100000210187 [0,2,0,0,0,0|1,0,0]=3 6993 B14R1.678 CC(O)CNC(=O)c1ccc(cc1)Cl 240690a_100000210904_100000210187 [0,2,0,0,0,0|1,0,0]=3 6994 B14R1.678 CC(O)CNC(=O)c1ccc(cc1)Cl 527a_100000210904_100000210187 [0,2,0,0,0,0|1,0,0]=3 6995 B14R1.678 CC(O)CNC(=O)c1ccc(cc1)F 11a_100000210904_100000187176 [0,2,0,0,0,0|1,0,0]=3 6996 B14R1.678 CC(O)CNC(=O)c1ccc(cc1)F 240690a_100000210904_100000187176 [0,2,0,0,0,0|1,0,0]=3 6997 B14R1.678 CC(O)CNC(=O)c1ccc(cc1)F 527a_100000210904_100000187176 [0,2,0,0,0,0|1,0,0]=3 6998 B14R1.678 CC(O)CNC(=O)c1ccc(cc1)I 11a_100000210904_100000187904 [0,2,0,0,0,0|1,0,0]=3 6999 B14R1.678 CC(O)CNC(=O)c1ccc(cc1)I 240690a_100000210904_100000187904 [0,2,0,0,0,0|1,0,0]=3 7000 B14R1.678 CC(O)CNC(=O)c1ccc(cc1)I 527a_100000210904_100000187904 [0,2,0,0,0,0|1,0,0]=3 7001 B14R1.678 CC(O)CNC(=O)c1ccc(cc1)O 240690a_100000210904_100000212099 [0,2,0,0,0,0|1,0,0]=3 7002 B14R1.678 CC(O)CNC(=O)c1ccc(cc1)O 527a_100000210904_100000212099 [0,2,0,0,0,0|1,0,0]=3 7003 B14R1.678 CC(O)COC(C)c1ccc(cc1)Br 34a_100000745893_100011218427 [0,2,0,0,0,0|1,0,1]=4 7004 B14R1.678 CC(O)COC(C)c1ccc(cc1)Br 7a_100000745893_100011218427 [0,2,0,0,0,0|1,0,1]=4 7005 B14R1.678 CC(O)COC(C)c1ccc(cc1)F 34a_100000181323_100011218427 [0,2,0,0,0,0|1,0,1]=4 7006 B14R1.678 CC(O)COC(C)c1ccc(cc1)F 7a_100000181323_100011218427 [0,2,0,0,0,0|1,0,1]=4 7007 B14R1.678 CC(O)COC(C)c1ccc(cc1)N 34a_100011216399_100011218427 [0,2,0,0,0,0|1,0,1]=4 7008 B14R1.678 CC(O)CO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100011218427 [0,2,0,0,0,0|1,0,1]=4 7009 B14R1.678 CC(O)CO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100011218427 [0,2,0,0,0,0|1,0,1]=4 7010 B14R1.678 CC(OC[C@@H](C)Cl)c1ccc(cc1)Br 34a_100016084084_100000755118 [0,2,0,0,0,0|1,0,1]=4 7011 B14R1.678 CC(OC[C@@H](C)Cl)c1ccc(cc1)F 34a_100016084084_100000743420 [0,2,0,0,0,0|1,0,1]=4 7012 B14R1.678 CC(OC[C@@H](C)N)c1ccc(cc1)Br 34a_100000737577_100000755118 [0,2,0,0,0,0|1,0,1]=4 7013 B14R1.678 CC(OC[C@@H](C)N)c1ccc(cc1)F 34a_100000737577_100000743420 [0,2,0,0,0,0|1,0,1]=4 7014 B14R1.678 CC(OC[C@@H](C)O)c1ccc(cc1)Br 34a_100000745893_100009817552 [0,2,0,0,0,0|1,0,1]=4 7015 B14R1.678 CC(OC[C@@H](C)O)c1ccc(cc1)Br 7a_100000745893_100009817552 [0,2,0,0,0,0|1,0,1]=4 7016 B14R1.678 CC(OC[C@@H](C)O)c1ccc(cc1)F 34a_100000181323_100009817552 [0,2,0,0,0,0|1,0,1]=4 7017 B14R1.678 CC(OC[C@@H](C)O)c1ccc(cc1)F 7a_100000181323_100009817552 [0,2,0,0,0,0|1,0,1]=4 7018 B14R1.678 CC(OC[C@@H](C)O)c1ccc(cc1)N 34a_100011216399_100009817552 [0,2,0,0,0,0|1,0,1]=4 7019 B14R1.678 CN(C)CCC(=O)c1ccc(cc1)Br 269982a_100102631434_100011215963 [0,2,0,0,0,0|2,0,0]=4 7020 B14R1.678 CN(C)CCC(=O)c1ccc(cc1)Cl 269982a_100102631434_100011216492 [0,2,0,0,0,0|2,0,0]=4 7021 B14R1.678 CN(C)CCC(=O)c1ccc(cc1)F 2230a_100102631434_100000211231 [0,2,0,0,0,0|2,0,0]=4 7022 B14R1.678 CN(C)CCC(=O)c1ccc(cc1)F 269982a_100102631434_100000211231 [0,2,0,0,0,0|2,0,0]=4 7023 B14R1.678 CN(C)CCC(=O)c1ccc(cc1)O 2230a_100102631434_100009879949 [0,2,0,0,0,0|2,0,0]=4 7024 B14R1.678 CN(C)CCC(=O)c1ccc(cc1)O 269982a_100102631434_100009879949 [0,2,0,0,0,0|2,0,0]=4 7025 B14R1.678 CN(C)CCC(=O)c1ccc(cc1)O 271570a_203496583355_200102510076 [0,2,0,0,0,0|2,0,0]=4 7026 B14R1.678 C[C@H](OC[C@@H](C)O)c1ccc(cc1)Cl 34a_100011852131_100009817552 [0,2,0,0,0,0|1,0,1]=4 7027 B14R1.678 C[C@H](OC[C@@H](C)O)c1ccc(cc1)Cl 7a_100011852131_100009817552 [0,2,0,0,0,0|1,0,1]=4 7028 B14R1.678 Cc1ccc(cc1)C(=O)CCC(C)C 1458a_100000188618_100000210312 [0,2,0,0,0,0|1,0,0]=3 7029 B14R1.678 Cc1ccc(cc1)C(=O)CCC(C)O 1458a_100000188618_100012276601 [0,2,0,0,0,0|1,0,0]=3 7030 B14R1.678 Cc1ccc(cc1)C(=O)CCN(C)C 2230a_100102631434_100000701375 [0,2,0,0,0,0|2,0,0]=4 7031 B14R1.678 Cc1ccc(cc1)C(=O)CCN(C)C 269982a_100102631434_100000701375 [0,2,0,0,0,0|2,0,0]=4 7032 B14R1.678 Cc1ccc(cc1)C(=O)CNC(C)C 2230a_100138425928_100000211441 [0,2,0,0,0,0|2,0,0]=4 7033 B14R1.678 Cc1ccc(cc1)C(=O)CNC(C)C 34a_100138425928_100000211441 [0,2,0,0,0,0|2,0,0]=4 7034 B14R1.678 Cc1ccc(cc1)C(=O)COC(C)C 34a_100000212225_100000211441 [0,2,0,0,0,0|2,0,0]=4 7035 B14R1.678 Cc1ccc(cc1)C(=O)CSC(C)C 62a_100000210206_100000211441 [0,2,0,0,0,0|2,0,0]=4 7036 B14R1.678 Cc1ccc(cc1)C(=O)CSC(C)C 62a_100000211441_100000210206 [0,2,0,0,0,0|2,0,0]=4 7037 B14R1.678 Cc1ccc(cc1)C(=O)NCC(=O)[13CH3] 1458a_100000183637_200025704644 [0,2,0,0,0,0|1,0,1]=4 7038 B14R1.678 Cc1ccc(cc1)C(=O)NCC(C)C 11a_100000210953_100000188618 [0,2,0,0,0,0|1,0,0]=3 7039 B14R1.678 Cc1ccc(cc1)C(=O)NCC(C)C 1626a_100000210953_100000188618 [0,2,0,0,0,0|1,0,0]=3 7040 B14R1.678 Cc1ccc(cc1)C(=O)NCC(C)C 240690a_100000210953_100000188618 [0,2,0,0,0,0|1,0,0]=3 7041 B14R1.678 Cc1ccc(cc1)C(=O)NCC(C)C 527a_100000210953_100000188618 [0,2,0,0,0,0|1,0,0]=3 7042 B14R1.678 Cc1ccc(cc1)C(=O)NCC(C)O 11a_100000210904_100000188618 [0,2,0,0,0,0|1,0,0]=3 7043 B14R1.678 Cc1ccc(cc1)C(=O)NCC(C)O 240690a_100000210904_100000188618 [0,2,0,0,0,0|1,0,0]=3 7044 B14R1.678 Cc1ccc(cc1)C(=O)NCC(C)O 527a_100000210904_100000188618 [0,2,0,0,0,0|1,0,0]=3 7045 B14R1.678 Cc1ccc(cc1)C(=O)NCC(F)F 11a_100000765723_100000188618 [0,2,0,0,0,0|2,0,0]=4 7046 B14R1.678 Cc1ccc(cc1)C(=O)NCC(F)F 1626a_100000765723_100000188618 [0,2,0,0,0,0|2,0,0]=4 7047 B14R1.678 Cc1ccc(cc1)C(=O)NCC(F)F 240690a_100000765723_100000188618 [0,2,0,0,0,0|2,0,0]=4 7048 B14R1.678 Cc1ccc(cc1)C(=O)NCC(F)F 527a_100000765723_100000188618 [0,2,0,0,0,0|2,0,0]=4 7049 B14R1.678 Cc1ccc(cc1)C(=O)NNC(C)C 22a_100000741168_100000188618 [0,2,0,0,0,0|2,0,0]=4 7050 B14R1.678 Cc1ccc(cc1)C(C)OCC(C)Br 34a_100012180447_100011261388 [0,2,0,0,0,0|1,0,1]=4 7051 B14R1.678 Cc1ccc(cc1)C(C)OCC(C)C 34a_100000210257_100011261388 [0,2,0,0,0,0|1,0,1]=4 7052 B14R1.678 Cc1ccc(cc1)C(C)OCC(C)F 34a_100015925927_100011261388 [0,2,0,0,0,0|1,0,1]=4 7053 B14R1.678 Cc1ccc(cc1)C(C)OC[C@@H](C)Cl 34a_100016084084_100011261388 [0,2,0,0,0,0|1,0,1]=4 7054 B14R1.678 Cc1ccc(cc1)C(C)OC[C@@H](C)N 34a_100000737577_100011261388 [0,2,0,0,0,0|1,0,1]=4 7055 B14R1.678 Cc1ccc(cc1)[C@@H](C)OCC(C)C 34a_100000690690_100000210624 [0,2,0,0,0,0|1,0,1]=4 7056 B14R1.678 Cc1ccc(cc1)[C@@H](C)OCC(C)C 7a_100000690690_100000210760 [0,2,0,0,0,0|1,0,1]=4 7057 B14R1.678 Cc1ccc(cc1)[C@@H](C)OCC(C)O 34a_100000690690_100011218427 [0,2,0,0,0,0|1,0,1]=4 7058 B14R1.678 Cc1ccc(cc1)[C@@H](C)OCC(C)O 7a_100000690690_100011218427 [0,2,0,0,0,0|1,0,1]=4 7059 B14R1.678 Cc1ccc(cc1)[C@@H](C)OC[C@@H](C)O 34a_100000690690_100009817552 [0,2,0,0,0,0|1,0,1]=4 7060 B14R1.678 Cc1ccc(cc1)[C@@H](C)OC[C@@H](C)O 7a_100000690690_100009817552 [0,2,0,0,0,0|1,0,1]=4 7061 B14R1.678 O=C(NCC(F)F)c1ccc(cc1)Br 11a_100000765723_100000185839 [0,2,0,0,0,0|2,0,0]=4 7062 B14R1.678 O=C(NCC(F)F)c1ccc(cc1)Br 1626a_100000765723_100000185839 [0,2,0,0,0,0|2,0,0]=4 7063 B14R1.678 O=C(NCC(F)F)c1ccc(cc1)Br 240690a_100000765723_100000185839 [0,2,0,0,0,0|2,0,0]=4 7064 B14R1.678 O=C(NCC(F)F)c1ccc(cc1)Br 527a_100000765723_100000185839 [0,2,0,0,0,0|2,0,0]=4 7065 B14R1.678 O=C(NCC(F)F)c1ccc(cc1)Cl 11a_100000765723_100000210187 [0,2,0,0,0,0|2,0,0]=4 7066 B14R1.678 O=C(NCC(F)F)c1ccc(cc1)Cl 1626a_100000765723_100000210187 [0,2,0,0,0,0|2,0,0]=4 7067 B14R1.678 O=C(NCC(F)F)c1ccc(cc1)Cl 240690a_100000765723_100000210187 [0,2,0,0,0,0|2,0,0]=4 7068 B14R1.678 O=C(NCC(F)F)c1ccc(cc1)Cl 527a_100000765723_100000210187 [0,2,0,0,0,0|2,0,0]=4 7069 B14R1.678 O=C(NCC(F)F)c1ccc(cc1)F 11a_100000765723_100000187176 [0,2,0,0,0,0|2,0,0]=4 7070 B14R1.678 O=C(NCC(F)F)c1ccc(cc1)F 1626a_100000765723_100000187176 [0,2,0,0,0,0|2,0,0]=4 7071 B14R1.678 O=C(NCC(F)F)c1ccc(cc1)F 240690a_100000765723_100000187176 [0,2,0,0,0,0|2,0,0]=4 7072 B14R1.678 O=C(NCC(F)F)c1ccc(cc1)F 527a_100000765723_100000187176 [0,2,0,0,0,0|2,0,0]=4 7073 B14R1.678 O=C(NCC(F)F)c1ccc(cc1)I 11a_100000765723_100000187904 [0,2,0,0,0,0|2,0,0]=4 7074 B14R1.678 O=C(NCC(F)F)c1ccc(cc1)I 1626a_100000765723_100000187904 [0,2,0,0,0,0|2,0,0]=4 7075 B14R1.678 O=C(NCC(F)F)c1ccc(cc1)I 240690a_100000765723_100000187904 [0,2,0,0,0,0|2,0,0]=4 7076 B14R1.678 O=C(NCC(F)F)c1ccc(cc1)I 527a_100000765723_100000187904 [0,2,0,0,0,0|2,0,0]=4 7077 B14R1.678 O=C(NCC(F)F)c1ccc(cc1)O 240690a_100000765723_100000212099 [0,2,0,0,0,0|2,0,0]=4 7078 B14R1.678 O=C(NCC(F)F)c1ccc(cc1)O 527a_100000765723_100000212099 [0,2,0,0,0,0|2,0,0]=4 7079 B14R1.678 [13CH3]C(=O)CNC(=O)c1ccc(cc1)Cl 1458a_100000182666_200025704644 [0,2,0,0,0,0|1,0,1]=4 7080 B14R1.678 [13CH3]C(=O)CNC(=O)c1ccc(cc1)F 1458a_100000183488_200025704644 [0,2,0,0,0,0|1,0,1]=4 7081 B14R1.678 [13CH3]C(=O)CNC(=O)c1ccc(cc1)O 1458a_100000205570_200025704644 [0,2,0,0,0,0|1,0,1]=4 7082 B14R1.678 [2H]C(OCC(C)C)c1ccc(cc1)F 34a_217856618577_100000210624 [0,2,0,0,0,0|1,0,1]=4 7083 B14R1.678 [2H]C(OCC(C)C)c1ccc(cc1)F 7a_217856618577_100000210760 [0,2,0,0,0,0|1,0,1]=4 7084 B14R1.678 [2H]C(OCC(C)O)c1ccc(cc1)F 34a_217856618577_100011218427 [0,2,0,0,0,0|1,0,1]=4 7085 B14R1.678 [2H]C(OCC(C)O)c1ccc(cc1)F 7a_217856618577_100011218427 [0,2,0,0,0,0|1,0,1]=4 7086 B14R1.678 [2H]C(OC[C@@H](C)O)c1ccc(cc1)F 34a_217856618577_100009817552 [0,2,0,0,0,0|1,0,1]=4 7087 B14R1.678 [2H]C(OC[C@@H](C)O)c1ccc(cc1)F 7a_217856618577_100009817552 [0,2,0,0,0,0|1,0,1]=4 7088 B14R1.926 C#Cc1ccc(cc1)C(=O)CCCC 1458a_100011217615_100000210211 [0,2,0,0,0,0|1,0,0]=3 7089 B14R1.926 C#Cc1ccc(cc1)C(=O)CCCF 1458a_100011217615_100011934791 [0,2,0,0,0,0|2,0,0]=4 7090 B14R1.926 C#Cc1ccc(cc1)C(=O)CCCO 1458a_100011217615_100011215043 [0,2,0,0,0,0|2,0,0]=4 7091 B14R1.926 C#Cc1ccc(cc1)C(=O)CCOC 1458a_100011217615_100000233755 [0,2,0,0,0,0|2,0,0]=4 7092 B14R1.926 C#Cc1ccc(cc1)C(=O)CCSC 1458a_100011217615_100000751147 [0,2,0,0,0,0|2,0,0]=4 7093 B14R1.926 C#Cc1ccc(cc1)C(=O)NCCC 11a_100020643023_100011217615 [0,2,0,0,0,0|1,0,0]=3 7094 B14R1.926 C#Cc1ccc(cc1)C(=O)NCCC 1626a_100020643023_100011217615 [0,2,0,0,0,0|1,0,0]=3 7095 B14R1.926 C#Cc1ccc(cc1)C(=O)NCCC 240690a_100020643023_100011217615 [0,2,0,0,0,0|1,0,0]=3 7096 B14R1.926 C#Cc1ccc(cc1)C(=O)NCCC 527a_100020643023_100011217615 [0,2,0,0,0,0|1,0,0]=3 7097 B14R1.926 C#Cc1ccc(cc1)C(=O)NCCF 11a_100000724931_100011217615 [0,2,0,0,0,0|2,0,0]=4 7098 B14R1.926 C#Cc1ccc(cc1)C(=O)NCCF 1626a_100000724931_100011217615 [0,2,0,0,0,0|2,0,0]=4 7099 B14R1.926 C#Cc1ccc(cc1)C(=O)NCCF 240690a_100000724931_100011217615 [0,2,0,0,0,0|2,0,0]=4 7100 B14R1.926 C#Cc1ccc(cc1)C(=O)NCCF 527a_100000724931_100011217615 [0,2,0,0,0,0|2,0,0]=4 7101 B14R1.926 C#Cc1ccc(cc1)C(=O)NCCO 240690a_100000210304_100011217615 [0,2,0,0,0,0|2,0,0]=4 7102 B14R1.926 C#Cc1ccc(cc1)C(=O)NCCO 527a_100000210304_100011217615 [0,2,0,0,0,0|2,0,0]=4 7103 B14R1.926 C#Cc1ccc(cc1)C(=O)NNCC 22a_100000756455_100011217615 [0,2,0,0,0,0|2,0,0]=4 7104 B14R1.926 C=CCOC(=O)c1ccc(cc1)OC 7a_200000006381_200000210301 [0,2,0,0,0,0|0,0,2]=4 7105 B14R1.926 C=CCOC(=O)c1ccc(cc1)O[13CH3] 7a_200000006381_200025704644 [0,2,0,0,0,0|0,0,2]=4 7106 B14R1.926 C=Cc1ccc(cc1)C(=O)CCCC 1458a_100000687532_100000210211 [0,2,0,0,0,0|1,0,0]=3 7107 B14R1.926 C=Cc1ccc(cc1)C(=O)CCCC 271570a_100011290941_100011215321 [0,2,0,0,0,0|1,0,0]=3 7108 B14R1.926 C=Cc1ccc(cc1)C(=O)CCCF 1458a_100000687532_100011934791 [0,2,0,0,0,0|2,0,0]=4 7109 B14R1.926 C=Cc1ccc(cc1)C(=O)CCCO 1458a_100000687532_100011215043 [0,2,0,0,0,0|2,0,0]=4 7110 B14R1.926 C=Cc1ccc(cc1)C(=O)CCOC 1458a_100000687532_100000233755 [0,2,0,0,0,0|2,0,0]=4 7111 B14R1.926 C=Cc1ccc(cc1)C(=O)CCSC 1458a_100000687532_100000751147 [0,2,0,0,0,0|2,0,0]=4 7112 B14R1.926 C=Cc1ccc(cc1)C(=O)NCCC 11a_100020643023_100000687532 [0,2,0,0,0,0|1,0,0]=3 7113 B14R1.926 C=Cc1ccc(cc1)C(=O)NCCC 1626a_100020643023_100000687532 [0,2,0,0,0,0|1,0,0]=3 7114 B14R1.926 C=Cc1ccc(cc1)C(=O)NCCC 240690a_100020643023_100000687532 [0,2,0,0,0,0|1,0,0]=3 7115 B14R1.926 C=Cc1ccc(cc1)C(=O)NCCC 271570a_100011290941_200000152267 [0,2,0,0,0,0|1,0,0]=3 7116 B14R1.926 C=Cc1ccc(cc1)C(=O)NCCC 527a_100020643023_100000687532 [0,2,0,0,0,0|1,0,0]=3 7117 B14R1.926 C=Cc1ccc(cc1)C(=O)NCCF 11a_100000724931_100000687532 [0,2,0,0,0,0|2,0,0]=4 7118 B14R1.926 C=Cc1ccc(cc1)C(=O)NCCF 1626a_100000724931_100000687532 [0,2,0,0,0,0|2,0,0]=4 7119 B14R1.926 C=Cc1ccc(cc1)C(=O)NCCF 240690a_100000724931_100000687532 [0,2,0,0,0,0|2,0,0]=4 7120 B14R1.926 C=Cc1ccc(cc1)C(=O)NCCF 527a_100000724931_100000687532 [0,2,0,0,0,0|2,0,0]=4 7121 B14R1.926 C=Cc1ccc(cc1)C(=O)NCCO 240690a_100000210304_100000687532 [0,2,0,0,0,0|2,0,0]=4 7122 B14R1.926 C=Cc1ccc(cc1)C(=O)NCCO 271570a_100011290941_200000158904 [0,2,0,0,0,0|2,0,0]=4 7123 B14R1.926 C=Cc1ccc(cc1)C(=O)NCCO 527a_100000210304_100000687532 [0,2,0,0,0,0|2,0,0]=4 7124 B14R1.926 C=Cc1ccc(cc1)C(=O)NNCC 22a_100000756455_100000687532 [0,2,0,0,0,0|2,0,0]=4 7125 B14R1.926 C=Cc1ccc(cc1)S(=O)CCCC 271570a_100011290941_100016336038 [0,2,0,0,0,0|2,0,0]=4 7126 B14R1.926 C=Cc1ccc(cn1)C(=O)NCCC 271570a_100011290941_100000161739 [0,2,0,0,0,0|2,0,0]=4 7127 B14R1.926 C=Cc1ccc(nc1)C(=O)NCCC 271570a_100011290941_100011781247 [0,2,0,0,0,0|2,0,0]=4 7128 B14R1.926 CCCCC(=O)c1ccc(cc1)C#N 1458a_100000210717_100000210211 [0,2,0,0,0,0|1,0,0]=3 7129 B14R1.926 CCCCC(=O)c1ccc(cc1)CC 1458a_100000211226_100000210211 [0,2,0,0,0,0|1,0,0]=3 7130 B14R1.926 CCCCC(=O)c1ccc(cc1)CO 1458a_100000183892_100000210211 [0,2,0,0,0,0|1,0,0]=3 7131 B14R1.926 CCCCC(=O)c1ccc(cc1)OC 1458a_100000184203_100000210211 [0,2,0,0,0,0|1,0,0]=3 7132 B14R1.926 CCCCC(=O)c1ccc(cc1)OC 34a_100000040048_200000210301 [0,2,0,0,0,0|1,0,0]=3 7133 B14R1.926 CCCCC(=O)c1ccc(cc1)OC 7a_100000040048_200000210301 [0,2,0,0,0,0|1,0,0]=3 7134 B14R1.926 CCCCC(=O)c1ccc(cc1)O[13CH3] 34a_100000040048_200025704644 [0,2,0,0,0,0|1,0,0]=3 7135 B14R1.926 CCCCC(=O)c1ccc(cc1)O[13CH3] 7a_100000040048_200025704644 [0,2,0,0,0,0|1,0,0]=3 7136 B14R1.926 CCCCC(=O)c1ccc(cc1)SC 1458a_100000189692_100000210211 [0,2,0,0,0,0|1,0,0]=3 7137 B14R1.926 CCCCC(=O)c1ccc(cc1)SC 62a_100011215321_200000210301 [0,2,0,0,0,0|1,0,0]=3 7138 B14R1.926 CCCCC(=O)c1ccc(cc1)SC 62a_200000210301_100011215321 [0,2,0,0,0,0|1,0,0]=3 7139 B14R1.926 CCCCC(=O)c1ccc(cc1)S[13CH3] 62a_100011215321_200025704644 [0,2,0,0,0,0|1,0,0]=3 7140 B14R1.926 CCCCC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100011215321 [0,2,0,0,0,0|1,0,0]=3 7141 B14R1.926 CCCCS(=O)c1ccc(cc1)SC 62a_200000210301_100016336038 [0,2,0,0,0,0|2,0,0]=4 7142 B14R1.926 CCCCS(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100016336038 [0,2,0,0,0,0|2,0,0]=4 7143 B14R1.926 CCCNC(=O)c1ccc(cc1)C#N 11a_100020643023_100000210717 [0,2,0,0,0,0|1,0,0]=3 7144 B14R1.926 CCCNC(=O)c1ccc(cc1)C#N 1626a_100020643023_100000210717 [0,2,0,0,0,0|1,0,0]=3 7145 B14R1.926 CCCNC(=O)c1ccc(cc1)C#N 240690a_100020643023_100000210717 [0,2,0,0,0,0|1,0,0]=3 7146 B14R1.926 CCCNC(=O)c1ccc(cc1)C#N 527a_100020643023_100000210717 [0,2,0,0,0,0|1,0,0]=3 7147 B14R1.926 CCCNC(=O)c1ccc(cc1)CC 11a_100020643023_100000211226 [0,2,0,0,0,0|1,0,0]=3 7148 B14R1.926 CCCNC(=O)c1ccc(cc1)CC 1626a_100020643023_100000211226 [0,2,0,0,0,0|1,0,0]=3 7149 B14R1.926 CCCNC(=O)c1ccc(cc1)CC 240690a_100020643023_100000211226 [0,2,0,0,0,0|1,0,0]=3 7150 B14R1.926 CCCNC(=O)c1ccc(cc1)CC 527a_100020643023_100000211226 [0,2,0,0,0,0|1,0,0]=3 7151 B14R1.926 CCCNC(=O)c1ccc(cc1)CO 1626a_100020643023_100000183892 [0,2,0,0,0,0|1,0,0]=3 7152 B14R1.926 CCCNC(=O)c1ccc(cc1)CO 240690a_100020643023_100000183892 [0,2,0,0,0,0|1,0,0]=3 7153 B14R1.926 CCCNC(=O)c1ccc(cc1)NC 2230a_100000725496_200000210301 [0,2,0,0,0,0|1,0,0]=3 7154 B14R1.926 CCCNC(=O)c1ccc(cc1)NC 27a_100102657272_200000152267 [0,2,0,0,0,0|1,0,0]=3 7155 B14R1.926 CCCNC(=O)c1ccc(cc1)NC 34a_100000725496_200000210301 [0,2,0,0,0,0|1,0,0]=3 7156 B14R1.926 CCCNC(=O)c1ccc(cc1)N[13CH3] 2230a_100000725496_200025704644 [0,2,0,0,0,0|1,0,0]=3 7157 B14R1.926 CCCNC(=O)c1ccc(cc1)N[13CH3] 34a_100000725496_200025704644 [0,2,0,0,0,0|1,0,0]=3 7158 B14R1.926 CCCNC(=O)c1ccc(cc1)OC 11a_100020643023_100000184203 [0,2,0,0,0,0|1,0,0]=3 7159 B14R1.926 CCCNC(=O)c1ccc(cc1)OC 1626a_100020643023_100000184203 [0,2,0,0,0,0|1,0,0]=3 7160 B14R1.926 CCCNC(=O)c1ccc(cc1)OC 240690a_100020643023_100000184203 [0,2,0,0,0,0|1,0,0]=3 7161 B14R1.926 CCCNC(=O)c1ccc(cc1)OC 34a_100000187946_200000210301 [0,2,0,0,0,0|1,0,0]=3 7162 B14R1.926 CCCNC(=O)c1ccc(cc1)OC 527a_100020643023_100000184203 [0,2,0,0,0,0|1,0,0]=3 7163 B14R1.926 CCCNC(=O)c1ccc(cc1)OC 7a_100000187946_200000210301 [0,2,0,0,0,0|1,0,0]=3 7164 B14R1.926 CCCNC(=O)c1ccc(cc1)O[13CH3] 34a_100000187946_200025704644 [0,2,0,0,0,0|1,0,0]=3 7165 B14R1.926 CCCNC(=O)c1ccc(cc1)O[13CH3] 7a_100000187946_200025704644 [0,2,0,0,0,0|1,0,0]=3 7166 B14R1.926 CCCNC(=O)c1ccc(cc1)SC 11a_100020643023_100000189692 [0,2,0,0,0,0|1,0,0]=3 7167 B14R1.926 CCCNC(=O)c1ccc(cc1)SC 1626a_100020643023_100000189692 [0,2,0,0,0,0|1,0,0]=3 7168 B14R1.926 CCCNC(=O)c1ccc(cc1)SC 240690a_100020643023_100000189692 [0,2,0,0,0,0|1,0,0]=3 7169 B14R1.926 CCCNC(=O)c1ccc(cc1)SC 527a_100020643023_100000189692 [0,2,0,0,0,0|1,0,0]=3 7170 B14R1.926 CCCNC(=O)c1ccc(cc1)SC 62a_200000152267_200000210301 [0,2,0,0,0,0|1,0,0]=3 7171 B14R1.926 CCCNC(=O)c1ccc(cc1)SC 62a_200000210301_200000152267 [0,2,0,0,0,0|1,0,0]=3 7172 B14R1.926 CCCNC(=O)c1ccc(cc1)S[13CH3] 62a_200000152267_200025704644 [0,2,0,0,0,0|1,0,0]=3 7173 B14R1.926 CCCNC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_200000152267 [0,2,0,0,0,0|1,0,0]=3 7174 B14R1.926 CCCNC(=O)c1ccc(cn1)NC 27a_100102657272_100011781247 [0,2,0,0,0,0|2,0,0]=4 7175 B14R1.926 CCCNC(=O)c1ccc(cn1)SC 62a_100011781247_200000210301 [0,2,0,0,0,0|2,0,0]=4 7176 B14R1.926 CCCNC(=O)c1ccc(cn1)SC 62a_200000210301_100011781247 [0,2,0,0,0,0|2,0,0]=4 7177 B14R1.926 CCCNC(=O)c1ccc(cn1)S[13CH3] 62a_100011781247_200025704644 [0,2,0,0,0,0|2,0,0]=4 7178 B14R1.926 CCCNC(=O)c1ccc(cn1)S[13CH3] 62a_200025704644_100011781247 [0,2,0,0,0,0|2,0,0]=4 7179 B14R1.926 CCCNC(=O)c1ccc(nc1)NC 27a_100102657272_100000161739 [0,2,0,0,0,0|2,0,0]=4 7180 B14R1.926 CCCNC(=O)c1ccc(nc1)SC 62a_100000161739_200000210301 [0,2,0,0,0,0|2,0,0]=4 7181 B14R1.926 CCCNC(=O)c1ccc(nc1)SC 62a_200000210301_100000161739 [0,2,0,0,0,0|2,0,0]=4 7182 B14R1.926 CCCNC(=O)c1ccc(nc1)S[13CH3] 62a_100000161739_200025704644 [0,2,0,0,0,0|2,0,0]=4 7183 B14R1.926 CCCNC(=O)c1ccc(nc1)S[13CH3] 62a_200025704644_100000161739 [0,2,0,0,0,0|2,0,0]=4 7184 B14R1.926 CCCOC(=O)c1ccc(cc1)OC 34a_100000169887_200000210301 [0,2,0,0,0,0|0,0,0]=2 7185 B14R1.926 CCCOC(=O)c1ccc(cc1)OC 7a_100000169887_200000210301 [0,2,0,0,0,0|0,0,0]=2 7186 B14R1.926 CCCOC(=O)c1ccc(cc1)O[13CH3] 34a_100000169887_200025704644 [0,2,0,0,0,0|0,0,0]=2 7187 B14R1.926 CCCOC(=O)c1ccc(cc1)O[13CH3] 7a_100000169887_200025704644 [0,2,0,0,0,0|0,0,0]=2 7188 B14R1.926 CCCOC(C)c1ccc(cc1)CC 34a_100011232672_100000210303 [0,2,0,0,0,0|1,0,1]=4 7189 B14R1.926 CCCOC(C)c1ccc(cc1)CC 7a_100011232672_100000210303 [0,2,0,0,0,0|1,0,1]=4 7190 B14R1.926 CCCOC(C)c1ccc(cc1)CN 34a_200000048501_100000210303 [0,2,0,0,0,0|1,0,1]=4 7191 B14R1.926 CCCOC(C)c1ccc(cc1)OC 34a_100000742907_100000210303 [0,2,0,0,0,0|1,0,1]=4 7192 B14R1.926 CCCOC(C)c1ccc(cc1)OC 7a_100000742907_100000210303 [0,2,0,0,0,0|1,0,1]=4 7193 B14R1.926 CCCO[C@@H](C)c1ccc(cc1)C#N 34a_100011852132_100000210303 [0,2,0,0,0,0|1,0,1]=4 7194 B14R1.926 CCCO[C@@H](C)c1ccc(cc1)C#N 7a_100011852132_100000210303 [0,2,0,0,0,0|1,0,1]=4 7195 B14R1.926 CCNCC(=O)c1ccc(cc1)C#N 2230a_100015525214_100000212069 [0,2,0,0,0,0|2,0,0]=4 7196 B14R1.926 CCNCC(=O)c1ccc(cc1)CC 2230a_100015525214_100000689809 [0,2,0,0,0,0|2,0,0]=4 7197 B14R1.926 CCNCC(=O)c1ccc(cc1)OC 2230a_100015525214_100000212054 [0,2,0,0,0,0|2,0,0]=4 7198 B14R1.926 CCNCC(=O)c1ccc(cc1)SC 2230a_100015525214_100011216809 [0,2,0,0,0,0|2,0,0]=4 7199 B14R1.926 CCNNC(=O)c1ccc(cc1)C#N 22a_100000756455_100000210717 [0,2,0,0,0,0|2,0,0]=4 7200 B14R1.926 CCNNC(=O)c1ccc(cc1)CC 22a_100000756455_100000211226 [0,2,0,0,0,0|2,0,0]=4 7201 B14R1.926 CCNNC(=O)c1ccc(cc1)CO 22a_100000756455_100000183892 [0,2,0,0,0,0|2,0,0]=4 7202 B14R1.926 CCNNC(=O)c1ccc(cc1)OC 22a_100000756455_100000184203 [0,2,0,0,0,0|2,0,0]=4 7203 B14R1.926 CCNNC(=O)c1ccc(cc1)SC 22a_100000756455_100000189692 [0,2,0,0,0,0|2,0,0]=4 7204 B14R1.926 CCOCC(=O)c1ccc(cc1)C#N 34a_100011592799_100000210202 [0,2,0,0,0,0|2,0,0]=4 7205 B14R1.926 CCOCC(=O)c1ccc(cc1)SC 34a_100121572206_100011216809 [0,2,0,0,0,0|2,0,0]=4 7206 B14R1.926 CCSCC(=O)c1ccc(cc1)C#N 62a_100000210202_100000212069 [0,2,0,0,0,0|2,0,0]=4 7207 B14R1.926 CCSCC(=O)c1ccc(cc1)C#N 62a_100000212069_100000210202 [0,2,0,0,0,0|2,0,0]=4 7208 B14R1.926 CCSCC(=O)c1ccc(cc1)CC 62a_100000210202_100000689809 [0,2,0,0,0,0|2,0,0]=4 7209 B14R1.926 CCSCC(=O)c1ccc(cc1)CC 62a_100000689809_100000210202 [0,2,0,0,0,0|2,0,0]=4 7210 B14R1.926 CCSCC(=O)c1ccc(cc1)OC 62a_100000210202_100000212054 [0,2,0,0,0,0|2,0,0]=4 7211 B14R1.926 CCSCC(=O)c1ccc(cc1)OC 62a_100000212054_100000210202 [0,2,0,0,0,0|2,0,0]=4 7212 B14R1.926 CCSCC(=O)c1ccc(cc1)SC 62a_100000210202_100011216809 [0,2,0,0,0,0|2,0,0]=4 7213 B14R1.926 CCSCC(=O)c1ccc(cc1)SC 62a_100011216809_100000210202 [0,2,0,0,0,0|2,0,0]=4 7214 B14R1.926 CCc1ccc(cc1)C(=O)CCCF 1458a_100000211226_100011934791 [0,2,0,0,0,0|2,0,0]=4 7215 B14R1.926 CCc1ccc(cc1)C(=O)CCCO 1458a_100000211226_100011215043 [0,2,0,0,0,0|2,0,0]=4 7216 B14R1.926 CCc1ccc(cc1)C(=O)CCOC 1458a_100000211226_100000233755 [0,2,0,0,0,0|2,0,0]=4 7217 B14R1.926 CCc1ccc(cc1)C(=O)CCSC 1458a_100000211226_100000751147 [0,2,0,0,0,0|2,0,0]=4 7218 B14R1.926 CCc1ccc(cc1)C(=O)NCCF 11a_100000724931_100000211226 [0,2,0,0,0,0|2,0,0]=4 7219 B14R1.926 CCc1ccc(cc1)C(=O)NCCF 1626a_100000724931_100000211226 [0,2,0,0,0,0|2,0,0]=4 7220 B14R1.926 CCc1ccc(cc1)C(=O)NCCF 240690a_100000724931_100000211226 [0,2,0,0,0,0|2,0,0]=4 7221 B14R1.926 CCc1ccc(cc1)C(=O)NCCF 527a_100000724931_100000211226 [0,2,0,0,0,0|2,0,0]=4 7222 B14R1.926 CCc1ccc(cc1)C(=O)NCCO 240690a_100000210304_100000211226 [0,2,0,0,0,0|2,0,0]=4 7223 B14R1.926 CCc1ccc(cc1)C(=O)NCCO 527a_100000210304_100000211226 [0,2,0,0,0,0|2,0,0]=4 7224 B14R1.926 CNCCC(=O)c1ccc(cc1)OC 2230a_106832991635_100000700936 [0,2,0,0,0,0|2,0,0]=4 7225 B14R1.926 CNCCC(=O)c1ccc(cc1)OC 7a_106832991635_100000700936 [0,2,0,0,0,0|2,0,0]=4 7226 B14R1.926 CNc1ccc(cc1)C(=O)NCCO 27a_100102657272_200000158904 [0,2,0,0,0,0|2,0,0]=4 7227 B14R1.926 CNc1ccc(cc1)C(=O)NCCO 34a_100000740983_200000210301 [0,2,0,0,0,0|2,0,0]=4 7228 B14R1.926 COCCC(=O)c1ccc(cc1)C#N 1458a_100000210717_100000233755 [0,2,0,0,0,0|2,0,0]=4 7229 B14R1.926 COCCC(=O)c1ccc(cc1)CO 1458a_100000183892_100000233755 [0,2,0,0,0,0|2,0,0]=4 7230 B14R1.926 COCCC(=O)c1ccc(cc1)OC 1458a_100000184203_100000233755 [0,2,0,0,0,0|2,0,0]=4 7231 B14R1.926 COCCC(=O)c1ccc(cc1)SC 1458a_100000189692_100000233755 [0,2,0,0,0,0|2,0,0]=4 7232 B14R1.926 COc1ccc(cc1)C(=O)CCCCl 7a_100000039620_200000210301 [0,2,0,0,0,0|2,0,0]=4 7233 B14R1.926 COc1ccc(cc1)C(=O)CCCF 1458a_100000184203_100011934791 [0,2,0,0,0,0|2,0,0]=4 7234 B14R1.926 COc1ccc(cc1)C(=O)CCCO 1458a_100000184203_100011215043 [0,2,0,0,0,0|2,0,0]=4 7235 B14R1.926 COc1ccc(cc1)C(=O)CCSC 1458a_100000184203_100000751147 [0,2,0,0,0,0|2,0,0]=4 7236 B14R1.926 COc1ccc(cc1)C(=O)CCSC 62a_200000210301_100000700936 [0,2,0,0,0,0|2,0,0]=4 7237 B14R1.926 COc1ccc(cc1)C(=O)CCS[13CH3] 62a_200025704644_100000700936 [0,2,0,0,0,0|2,0,0]=4 7238 B14R1.926 COc1ccc(cc1)C(=O)NCCF 11a_100000724931_100000184203 [0,2,0,0,0,0|2,0,0]=4 7239 B14R1.926 COc1ccc(cc1)C(=O)NCCF 1626a_100000724931_100000184203 [0,2,0,0,0,0|2,0,0]=4 7240 B14R1.926 COc1ccc(cc1)C(=O)NCCF 240690a_100000724931_100000184203 [0,2,0,0,0,0|2,0,0]=4 7241 B14R1.926 COc1ccc(cc1)C(=O)NCCF 527a_100000724931_100000184203 [0,2,0,0,0,0|2,0,0]=4 7242 B14R1.926 COc1ccc(cc1)C(=O)NCCO 240690a_100000210304_100000184203 [0,2,0,0,0,0|2,0,0]=4 7243 B14R1.926 COc1ccc(cc1)C(=O)NCCO 527a_100000210304_100000184203 [0,2,0,0,0,0|2,0,0]=4 7244 B14R1.926 COc1ccc(cc1)C(=O)OCCO 34a_100000031026_200000210301 [0,2,0,0,0,0|1,0,0]=3 7245 B14R1.926 COc1ccc(cc1)C(=O)OCCO 7a_100000031026_200000210301 [0,2,0,0,0,0|1,0,0]=3 7246 B14R1.926 CSCCC(=O)c1ccc(cc1)C#N 1458a_100000210717_100000751147 [0,2,0,0,0,0|2,0,0]=4 7247 B14R1.926 CSCCC(=O)c1ccc(cc1)CO 1458a_100000183892_100000751147 [0,2,0,0,0,0|2,0,0]=4 7248 B14R1.926 CSCCC(=O)c1ccc(cc1)SC 1458a_100000189692_100000751147 [0,2,0,0,0,0|2,0,0]=4 7249 B14R1.926 CSc1ccc(cc1)C(=O)CCCF 1458a_100000189692_100011934791 [0,2,0,0,0,0|2,0,0]=4 7250 B14R1.926 CSc1ccc(cc1)C(=O)CCCO 1458a_100000189692_100011215043 [0,2,0,0,0,0|2,0,0]=4 7251 B14R1.926 CSc1ccc(cc1)C(=O)NCCF 11a_100000724931_100000189692 [0,2,0,0,0,0|2,0,0]=4 7252 B14R1.926 CSc1ccc(cc1)C(=O)NCCF 1626a_100000724931_100000189692 [0,2,0,0,0,0|2,0,0]=4 7253 B14R1.926 CSc1ccc(cc1)C(=O)NCCF 240690a_100000724931_100000189692 [0,2,0,0,0,0|2,0,0]=4 7254 B14R1.926 CSc1ccc(cc1)C(=O)NCCF 527a_100000724931_100000189692 [0,2,0,0,0,0|2,0,0]=4 7255 B14R1.926 CSc1ccc(cc1)C(=O)NCCO 240690a_100000210304_100000189692 [0,2,0,0,0,0|2,0,0]=4 7256 B14R1.926 CSc1ccc(cc1)C(=O)NCCO 527a_100000210304_100000189692 [0,2,0,0,0,0|2,0,0]=4 7257 B14R1.926 CSc1ccc(cc1)C(=O)NCCO 62a_200000158904_200000210301 [0,2,0,0,0,0|2,0,0]=4 7258 B14R1.926 CSc1ccc(cc1)C(=O)NCCO 62a_200000210301_200000158904 [0,2,0,0,0,0|2,0,0]=4 7259 B14R1.926 N#Cc1ccc(cc1)C(=O)CCCF 1458a_100000210717_100011934791 [0,2,0,0,0,0|2,0,0]=4 7260 B14R1.926 N#Cc1ccc(cc1)C(=O)CCCO 1458a_100000210717_100011215043 [0,2,0,0,0,0|2,0,0]=4 7261 B14R1.926 N#Cc1ccc(cc1)C(=O)NCCF 11a_100000724931_100000210717 [0,2,0,0,0,0|2,0,0]=4 7262 B14R1.926 N#Cc1ccc(cc1)C(=O)NCCF 1626a_100000724931_100000210717 [0,2,0,0,0,0|2,0,0]=4 7263 B14R1.926 N#Cc1ccc(cc1)C(=O)NCCF 240690a_100000724931_100000210717 [0,2,0,0,0,0|2,0,0]=4 7264 B14R1.926 N#Cc1ccc(cc1)C(=O)NCCF 527a_100000724931_100000210717 [0,2,0,0,0,0|2,0,0]=4 7265 B14R1.926 N#Cc1ccc(cc1)C(=O)NCCO 240690a_100000210304_100000210717 [0,2,0,0,0,0|2,0,0]=4 7266 B14R1.926 N#Cc1ccc(cc1)C(=O)NCCO 527a_100000210304_100000210717 [0,2,0,0,0,0|2,0,0]=4 7267 B14R1.926 O=C(CCCF)c1ccc(cc1)CO 1458a_100000183892_100011934791 [0,2,0,0,0,0|2,0,0]=4 7268 B14R1.926 O=C(CCCO)c1ccc(cc1)CO 1458a_100000183892_100011215043 [0,2,0,0,0,0|2,0,0]=4 7269 B14R1.926 O=C(NCCF)c1ccc(cc1)CO 1626a_100000724931_100000183892 [0,2,0,0,0,0|2,0,0]=4 7270 B14R1.926 O=C(NCCF)c1ccc(cc1)CO 240690a_100000724931_100000183892 [0,2,0,0,0,0|2,0,0]=4 7271 B14R1.926 O=C(NCCO)c1ccc(cc1)CO 240690a_100000210304_100000183892 [0,2,0,0,0,0|2,0,0]=4 7272 B14R1.926 [13CH3]Nc1ccc(cc1)C(=O)NCCO 34a_100000740983_200025704644 [0,2,0,0,0,0|2,0,0]=4 7273 B14R1.926 [13CH3]Oc1ccc(cc1)C(=O)CCCCl 7a_100000039620_200025704644 [0,2,0,0,0,0|2,0,0]=4 7274 B14R1.926 [13CH3]Oc1ccc(cc1)C(=O)OCCO 34a_100000031026_200025704644 [0,2,0,0,0,0|1,0,0]=3 7275 B14R1.926 [13CH3]Oc1ccc(cc1)C(=O)OCCO 7a_100000031026_200025704644 [0,2,0,0,0,0|1,0,0]=3 7276 B14R1.926 [13CH3]Sc1ccc(cc1)C(=O)NCCO 62a_200000158904_200025704644 [0,2,0,0,0,0|2,0,0]=4 7277 B14R1.926 [13CH3]Sc1ccc(cc1)C(=O)NCCO 62a_200025704644_200000158904 [0,2,0,0,0,0|2,0,0]=4 7278 B14R1.941 CCCCC(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_100000210211 [0,2,0,0,0,0|1,0,0]=3 7279 B14R1.941 CCCCC(=O)c1ccc(c(c1)Br)C 1458a_100000186397_100000210211 [0,2,0,0,0,0|1,0,0]=3 7280 B14R1.941 CCCCC(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_100000210211 [0,2,0,0,0,0|1,0,0]=3 7281 B14R1.941 CCCCC(=O)c1ccc(c(c1)Br)F 1458a_100000760357_100000210211 [0,2,0,0,0,0|1,0,0]=3 7282 B14R1.941 CCCCC(=O)c1ccc(c(c1)Br)I 1458a_100000739115_100000210211 [0,2,0,0,0,0|1,0,0]=3 7283 B14R1.941 CCCCC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100000210211 [0,2,0,0,0,0|1,0,0]=3 7284 B14R1.941 CCCCC(=O)c1ccc(c(c1)C)Br 1458a_100000692631_100000210211 [0,2,0,0,0,0|1,0,0]=3 7285 B14R1.941 CCCCC(=O)c1ccc(c(c1)C)C 1458a_100000210898_100000210211 [0,2,0,0,0,0|1,0,0]=3 7286 B14R1.941 CCCCC(=O)c1ccc(c(c1)C)Cl 1458a_100000686306_100000210211 [0,2,0,0,0,0|1,0,0]=3 7287 B14R1.941 CCCCC(=O)c1ccc(c(c1)C)F 1458a_100000751819_100000210211 [0,2,0,0,0,0|1,0,0]=3 7288 B14R1.941 CCCCC(=O)c1ccc(c(c1)C)I 1458a_100000751300_100000210211 [0,2,0,0,0,0|1,0,0]=3 7289 B14R1.941 CCCCC(=O)c1ccc(c(c1)C)O 1458a_100000685612_100000210211 [0,2,0,0,0,0|1,0,0]=3 7290 B14R1.941 CCCCC(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_100000210211 [0,2,0,0,0,0|1,0,0]=3 7291 B14R1.941 CCCCC(=O)c1ccc(c(c1)Cl)C 1458a_100000751740_100000210211 [0,2,0,0,0,0|1,0,0]=3 7292 B14R1.941 CCCCC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_100000210211 [0,2,0,0,0,0|1,0,0]=3 7293 B14R1.941 CCCCC(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_100000210211 [0,2,0,0,0,0|1,0,0]=3 7294 B14R1.941 CCCCC(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_100000210211 [0,2,0,0,0,0|1,0,0]=3 7295 B14R1.941 CCCCC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100000210211 [0,2,0,0,0,0|1,0,0]=3 7296 B14R1.941 CCCCC(=O)c1ccc(c(c1)F)Br 1458a_100000743946_100000210211 [0,2,0,0,0,0|1,0,0]=3 7297 B14R1.941 CCCCC(=O)c1ccc(c(c1)F)C 1458a_100000212313_100000210211 [0,2,0,0,0,0|1,0,0]=3 7298 B14R1.941 CCCCC(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_100000210211 [0,2,0,0,0,0|1,0,0]=3 7299 B14R1.941 CCCCC(=O)c1ccc(c(c1)F)F 1458a_100000209822_100000210211 [0,2,0,0,0,0|1,0,0]=3 7300 B14R1.941 CCCCC(=O)c1ccc(c(c1)F)I 1458a_100000062624_100000210211 [0,2,0,0,0,0|1,0,0]=3 7301 B14R1.941 CCCCC(=O)c1ccc(c(c1)F)O 1458a_100000185466_100000210211 [0,2,0,0,0,0|1,0,0]=3 7302 B14R1.941 CCCCC(=O)c1ccc(c(c1)I)Br 1458a_100012343876_100000210211 [0,2,0,0,0,0|1,0,0]=3 7303 B14R1.941 CCCCC(=O)c1ccc(c(c1)I)C 1458a_100000751299_100000210211 [0,2,0,0,0,0|1,0,0]=3 7304 B14R1.941 CCCCC(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_100000210211 [0,2,0,0,0,0|1,0,0]=3 7305 B14R1.941 CCCCC(=O)c1ccc(c(c1)I)F 1458a_100000688015_100000210211 [0,2,0,0,0,0|1,0,0]=3 7306 B14R1.941 CCCCC(=O)c1ccc(c(c1)I)I 1458a_100000725830_100000210211 [0,2,0,0,0,0|1,0,0]=3 7307 B14R1.941 CCCCC(=O)c1ccc(c(c1)I)O 1458a_100000037485_100000210211 [0,2,0,0,0,0|1,0,0]=3 7308 B14R1.941 CCCCC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_100000210211 [0,2,0,0,0,0|1,0,0]=3 7309 B14R1.941 CCCCC(=O)c1ccc(c(c1)O)C 1458a_100000233767_100000210211 [0,2,0,0,0,0|1,0,0]=3 7310 B14R1.941 CCCCC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_100000210211 [0,2,0,0,0,0|1,0,0]=3 7311 B14R1.941 CCCCC(=O)c1ccc(c(c1)O)F 1458a_100000035894_100000210211 [0,2,0,0,0,0|1,0,0]=3 7312 B14R1.941 CCCCC(=O)c1ccc(c(c1)O)I 1458a_100000239334_100000210211 [0,2,0,0,0,0|1,0,0]=3 7313 B14R1.941 CCCCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000210211 [0,2,0,0,0,0|1,0,0]=3 7314 B14R1.941 CCCNC(=O)c1ccc(c(c1)Br)Br 11a_100020643023_100012339404 [0,2,0,0,0,0|1,0,0]=3 7315 B14R1.941 CCCNC(=O)c1ccc(c(c1)Br)Br 1626a_100020643023_100012339404 [0,2,0,0,0,0|1,0,0]=3 7316 B14R1.941 CCCNC(=O)c1ccc(c(c1)Br)Br 240690a_100020643023_100012339404 [0,2,0,0,0,0|1,0,0]=3 7317 B14R1.941 CCCNC(=O)c1ccc(c(c1)Br)Br 527a_100020643023_100012339404 [0,2,0,0,0,0|1,0,0]=3 7318 B14R1.941 CCCNC(=O)c1ccc(c(c1)Br)C 11a_100020643023_100000186397 [0,2,0,0,0,0|1,0,0]=3 7319 B14R1.941 CCCNC(=O)c1ccc(c(c1)Br)C 1626a_100020643023_100000186397 [0,2,0,0,0,0|1,0,0]=3 7320 B14R1.941 CCCNC(=O)c1ccc(c(c1)Br)C 240690a_100020643023_100000186397 [0,2,0,0,0,0|1,0,0]=3 7321 B14R1.941 CCCNC(=O)c1ccc(c(c1)Br)C 527a_100020643023_100000186397 [0,2,0,0,0,0|1,0,0]=3 7322 B14R1.941 CCCNC(=O)c1ccc(c(c1)Br)Cl 11a_100020643023_100000691181 [0,2,0,0,0,0|1,0,0]=3 7323 B14R1.941 CCCNC(=O)c1ccc(c(c1)Br)Cl 1626a_100020643023_100000691181 [0,2,0,0,0,0|1,0,0]=3 7324 B14R1.941 CCCNC(=O)c1ccc(c(c1)Br)Cl 240690a_100020643023_100000691181 [0,2,0,0,0,0|1,0,0]=3 7325 B14R1.941 CCCNC(=O)c1ccc(c(c1)Br)Cl 527a_100020643023_100000691181 [0,2,0,0,0,0|1,0,0]=3 7326 B14R1.941 CCCNC(=O)c1ccc(c(c1)Br)F 11a_100020643023_100000760357 [0,2,0,0,0,0|1,0,0]=3 7327 B14R1.941 CCCNC(=O)c1ccc(c(c1)Br)F 1626a_100020643023_100000760357 [0,2,0,0,0,0|1,0,0]=3 7328 B14R1.941 CCCNC(=O)c1ccc(c(c1)Br)F 240690a_100020643023_100000760357 [0,2,0,0,0,0|1,0,0]=3 7329 B14R1.941 CCCNC(=O)c1ccc(c(c1)Br)F 527a_100020643023_100000760357 [0,2,0,0,0,0|1,0,0]=3 7330 B14R1.941 CCCNC(=O)c1ccc(c(c1)Br)I 11a_100020643023_100000739115 [0,2,0,0,0,0|1,0,0]=3 7331 B14R1.941 CCCNC(=O)c1ccc(c(c1)Br)I 1626a_100020643023_100000739115 [0,2,0,0,0,0|1,0,0]=3 7332 B14R1.941 CCCNC(=O)c1ccc(c(c1)Br)I 240690a_100020643023_100000739115 [0,2,0,0,0,0|1,0,0]=3 7333 B14R1.941 CCCNC(=O)c1ccc(c(c1)Br)I 527a_100020643023_100000739115 [0,2,0,0,0,0|1,0,0]=3 7334 B14R1.941 CCCNC(=O)c1ccc(c(c1)Br)O 240690a_100020643023_100000189672 [0,2,0,0,0,0|1,0,0]=3 7335 B14R1.941 CCCNC(=O)c1ccc(c(c1)C)Br 11a_100020643023_100000692631 [0,2,0,0,0,0|1,0,0]=3 7336 B14R1.941 CCCNC(=O)c1ccc(c(c1)C)Br 1626a_100020643023_100000692631 [0,2,0,0,0,0|1,0,0]=3 7337 B14R1.941 CCCNC(=O)c1ccc(c(c1)C)Br 240690a_100020643023_100000692631 [0,2,0,0,0,0|1,0,0]=3 7338 B14R1.941 CCCNC(=O)c1ccc(c(c1)C)Br 527a_100020643023_100000692631 [0,2,0,0,0,0|1,0,0]=3 7339 B14R1.941 CCCNC(=O)c1ccc(c(c1)C)C 11a_100020643023_100000210898 [0,2,0,0,0,0|1,0,0]=3 7340 B14R1.941 CCCNC(=O)c1ccc(c(c1)C)C 1626a_100020643023_100000210898 [0,2,0,0,0,0|1,0,0]=3 7341 B14R1.941 CCCNC(=O)c1ccc(c(c1)C)C 240690a_100020643023_100000210898 [0,2,0,0,0,0|1,0,0]=3 7342 B14R1.941 CCCNC(=O)c1ccc(c(c1)C)C 527a_100020643023_100000210898 [0,2,0,0,0,0|1,0,0]=3 7343 B14R1.941 CCCNC(=O)c1ccc(c(c1)C)Cl 11a_100020643023_100000686306 [0,2,0,0,0,0|1,0,0]=3 7344 B14R1.941 CCCNC(=O)c1ccc(c(c1)C)Cl 1626a_100020643023_100000686306 [0,2,0,0,0,0|1,0,0]=3 7345 B14R1.941 CCCNC(=O)c1ccc(c(c1)C)Cl 240690a_100020643023_100000686306 [0,2,0,0,0,0|1,0,0]=3 7346 B14R1.941 CCCNC(=O)c1ccc(c(c1)C)Cl 527a_100020643023_100000686306 [0,2,0,0,0,0|1,0,0]=3 7347 B14R1.941 CCCNC(=O)c1ccc(c(c1)C)F 11a_100020643023_100000751819 [0,2,0,0,0,0|1,0,0]=3 7348 B14R1.941 CCCNC(=O)c1ccc(c(c1)C)F 1626a_100020643023_100000751819 [0,2,0,0,0,0|1,0,0]=3 7349 B14R1.941 CCCNC(=O)c1ccc(c(c1)C)F 240690a_100020643023_100000751819 [0,2,0,0,0,0|1,0,0]=3 7350 B14R1.941 CCCNC(=O)c1ccc(c(c1)C)F 527a_100020643023_100000751819 [0,2,0,0,0,0|1,0,0]=3 7351 B14R1.941 CCCNC(=O)c1ccc(c(c1)C)I 11a_100020643023_100000751300 [0,2,0,0,0,0|1,0,0]=3 7352 B14R1.941 CCCNC(=O)c1ccc(c(c1)C)I 1626a_100020643023_100000751300 [0,2,0,0,0,0|1,0,0]=3 7353 B14R1.941 CCCNC(=O)c1ccc(c(c1)C)I 240690a_100020643023_100000751300 [0,2,0,0,0,0|1,0,0]=3 7354 B14R1.941 CCCNC(=O)c1ccc(c(c1)C)I 527a_100020643023_100000751300 [0,2,0,0,0,0|1,0,0]=3 7355 B14R1.941 CCCNC(=O)c1ccc(c(c1)C)O 240690a_100020643023_100000685612 [0,2,0,0,0,0|1,0,0]=3 7356 B14R1.941 CCCNC(=O)c1ccc(c(c1)C)O 271570a_203496583355_200012357430 [0,2,0,0,0,0|1,0,0]=3 7357 B14R1.941 CCCNC(=O)c1ccc(c(c1)Cl)Br 11a_100020643023_100000687082 [0,2,0,0,0,0|1,0,0]=3 7358 B14R1.941 CCCNC(=O)c1ccc(c(c1)Cl)Br 1626a_100020643023_100000687082 [0,2,0,0,0,0|1,0,0]=3 7359 B14R1.941 CCCNC(=O)c1ccc(c(c1)Cl)Br 240690a_100020643023_100000687082 [0,2,0,0,0,0|1,0,0]=3 7360 B14R1.941 CCCNC(=O)c1ccc(c(c1)Cl)Br 527a_100020643023_100000687082 [0,2,0,0,0,0|1,0,0]=3 7361 B14R1.941 CCCNC(=O)c1ccc(c(c1)Cl)C 11a_100020643023_100000751740 [0,2,0,0,0,0|1,0,0]=3 7362 B14R1.941 CCCNC(=O)c1ccc(c(c1)Cl)C 1626a_100020643023_100000751740 [0,2,0,0,0,0|1,0,0]=3 7363 B14R1.941 CCCNC(=O)c1ccc(c(c1)Cl)C 240690a_100020643023_100000751740 [0,2,0,0,0,0|1,0,0]=3 7364 B14R1.941 CCCNC(=O)c1ccc(c(c1)Cl)C 527a_100020643023_100000751740 [0,2,0,0,0,0|1,0,0]=3 7365 B14R1.941 CCCNC(=O)c1ccc(c(c1)Cl)Cl 11a_100020643023_100000210401 [0,2,0,0,0,0|1,0,0]=3 7366 B14R1.941 CCCNC(=O)c1ccc(c(c1)Cl)Cl 1626a_100020643023_100000210401 [0,2,0,0,0,0|1,0,0]=3 7367 B14R1.941 CCCNC(=O)c1ccc(c(c1)Cl)Cl 240690a_100020643023_100000210401 [0,2,0,0,0,0|1,0,0]=3 7368 B14R1.941 CCCNC(=O)c1ccc(c(c1)Cl)Cl 527a_100020643023_100000210401 [0,2,0,0,0,0|1,0,0]=3 7369 B14R1.941 CCCNC(=O)c1ccc(c(c1)Cl)F 11a_100020643023_100000686462 [0,2,0,0,0,0|1,0,0]=3 7370 B14R1.941 CCCNC(=O)c1ccc(c(c1)Cl)F 1626a_100020643023_100000686462 [0,2,0,0,0,0|1,0,0]=3 7371 B14R1.941 CCCNC(=O)c1ccc(c(c1)Cl)F 240690a_100020643023_100000686462 [0,2,0,0,0,0|1,0,0]=3 7372 B14R1.941 CCCNC(=O)c1ccc(c(c1)Cl)F 527a_100020643023_100000686462 [0,2,0,0,0,0|1,0,0]=3 7373 B14R1.941 CCCNC(=O)c1ccc(c(c1)Cl)I 11a_100020643023_100000684831 [0,2,0,0,0,0|1,0,0]=3 7374 B14R1.941 CCCNC(=O)c1ccc(c(c1)Cl)I 1626a_100020643023_100000684831 [0,2,0,0,0,0|1,0,0]=3 7375 B14R1.941 CCCNC(=O)c1ccc(c(c1)Cl)I 240690a_100020643023_100000684831 [0,2,0,0,0,0|1,0,0]=3 7376 B14R1.941 CCCNC(=O)c1ccc(c(c1)Cl)I 527a_100020643023_100000684831 [0,2,0,0,0,0|1,0,0]=3 7377 B14R1.941 CCCNC(=O)c1ccc(c(c1)Cl)O 240690a_100020643023_100000212196 [0,2,0,0,0,0|1,0,0]=3 7378 B14R1.941 CCCNC(=O)c1ccc(c(c1)Cl)O 527a_100020643023_100000212196 [0,2,0,0,0,0|1,0,0]=3 7379 B14R1.941 CCCNC(=O)c1ccc(c(c1)F)Br 11a_100020643023_100000743946 [0,2,0,0,0,0|1,0,0]=3 7380 B14R1.941 CCCNC(=O)c1ccc(c(c1)F)Br 1626a_100020643023_100000743946 [0,2,0,0,0,0|1,0,0]=3 7381 B14R1.941 CCCNC(=O)c1ccc(c(c1)F)Br 240690a_100020643023_100000743946 [0,2,0,0,0,0|1,0,0]=3 7382 B14R1.941 CCCNC(=O)c1ccc(c(c1)F)Br 527a_100020643023_100000743946 [0,2,0,0,0,0|1,0,0]=3 7383 B14R1.941 CCCNC(=O)c1ccc(c(c1)F)C 11a_100020643023_100000212313 [0,2,0,0,0,0|1,0,0]=3 7384 B14R1.941 CCCNC(=O)c1ccc(c(c1)F)C 1626a_100020643023_100000212313 [0,2,0,0,0,0|1,0,0]=3 7385 B14R1.941 CCCNC(=O)c1ccc(c(c1)F)C 240690a_100020643023_100000212313 [0,2,0,0,0,0|1,0,0]=3 7386 B14R1.941 CCCNC(=O)c1ccc(c(c1)F)C 527a_100020643023_100000212313 [0,2,0,0,0,0|1,0,0]=3 7387 B14R1.941 CCCNC(=O)c1ccc(c(c1)F)Cl 11a_100020643023_100000743183 [0,2,0,0,0,0|1,0,0]=3 7388 B14R1.941 CCCNC(=O)c1ccc(c(c1)F)Cl 1626a_100020643023_100000743183 [0,2,0,0,0,0|1,0,0]=3 7389 B14R1.941 CCCNC(=O)c1ccc(c(c1)F)Cl 240690a_100020643023_100000743183 [0,2,0,0,0,0|1,0,0]=3 7390 B14R1.941 CCCNC(=O)c1ccc(c(c1)F)Cl 527a_100020643023_100000743183 [0,2,0,0,0,0|1,0,0]=3 7391 B14R1.941 CCCNC(=O)c1ccc(c(c1)F)F 11a_100020643023_100000209822 [0,2,0,0,0,0|1,0,0]=3 7392 B14R1.941 CCCNC(=O)c1ccc(c(c1)F)F 1626a_100020643023_100000209822 [0,2,0,0,0,0|1,0,0]=3 7393 B14R1.941 CCCNC(=O)c1ccc(c(c1)F)F 240690a_100020643023_100000209822 [0,2,0,0,0,0|1,0,0]=3 7394 B14R1.941 CCCNC(=O)c1ccc(c(c1)F)F 527a_100020643023_100000209822 [0,2,0,0,0,0|1,0,0]=3 7395 B14R1.941 CCCNC(=O)c1ccc(c(c1)F)I 11a_100020643023_100000062624 [0,2,0,0,0,0|1,0,0]=3 7396 B14R1.941 CCCNC(=O)c1ccc(c(c1)F)I 1626a_100020643023_100000062624 [0,2,0,0,0,0|1,0,0]=3 7397 B14R1.941 CCCNC(=O)c1ccc(c(c1)F)I 240690a_100020643023_100000062624 [0,2,0,0,0,0|1,0,0]=3 7398 B14R1.941 CCCNC(=O)c1ccc(c(c1)F)I 527a_100020643023_100000062624 [0,2,0,0,0,0|1,0,0]=3 7399 B14R1.941 CCCNC(=O)c1ccc(c(c1)F)O 240690a_100020643023_100000185466 [0,2,0,0,0,0|1,0,0]=3 7400 B14R1.941 CCCNC(=O)c1ccc(c(c1)F)O 527a_100020643023_100000185466 [0,2,0,0,0,0|1,0,0]=3 7401 B14R1.941 CCCNC(=O)c1ccc(c(c1)I)Br 11a_100020643023_100012343876 [0,2,0,0,0,0|1,0,0]=3 7402 B14R1.941 CCCNC(=O)c1ccc(c(c1)I)Br 1626a_100020643023_100012343876 [0,2,0,0,0,0|1,0,0]=3 7403 B14R1.941 CCCNC(=O)c1ccc(c(c1)I)Br 240690a_100020643023_100012343876 [0,2,0,0,0,0|1,0,0]=3 7404 B14R1.941 CCCNC(=O)c1ccc(c(c1)I)Br 527a_100020643023_100012343876 [0,2,0,0,0,0|1,0,0]=3 7405 B14R1.941 CCCNC(=O)c1ccc(c(c1)I)C 11a_100020643023_100000751299 [0,2,0,0,0,0|1,0,0]=3 7406 B14R1.941 CCCNC(=O)c1ccc(c(c1)I)C 1626a_100020643023_100000751299 [0,2,0,0,0,0|1,0,0]=3 7407 B14R1.941 CCCNC(=O)c1ccc(c(c1)I)C 240690a_100020643023_100000751299 [0,2,0,0,0,0|1,0,0]=3 7408 B14R1.941 CCCNC(=O)c1ccc(c(c1)I)C 527a_100020643023_100000751299 [0,2,0,0,0,0|1,0,0]=3 7409 B14R1.941 CCCNC(=O)c1ccc(c(c1)I)Cl 11a_100020643023_100000739381 [0,2,0,0,0,0|1,0,0]=3 7410 B14R1.941 CCCNC(=O)c1ccc(c(c1)I)Cl 1626a_100020643023_100000739381 [0,2,0,0,0,0|1,0,0]=3 7411 B14R1.941 CCCNC(=O)c1ccc(c(c1)I)Cl 240690a_100020643023_100000739381 [0,2,0,0,0,0|1,0,0]=3 7412 B14R1.941 CCCNC(=O)c1ccc(c(c1)I)Cl 527a_100020643023_100000739381 [0,2,0,0,0,0|1,0,0]=3 7413 B14R1.941 CCCNC(=O)c1ccc(c(c1)I)F 11a_100020643023_100000688015 [0,2,0,0,0,0|1,0,0]=3 7414 B14R1.941 CCCNC(=O)c1ccc(c(c1)I)F 1626a_100020643023_100000688015 [0,2,0,0,0,0|1,0,0]=3 7415 B14R1.941 CCCNC(=O)c1ccc(c(c1)I)F 240690a_100020643023_100000688015 [0,2,0,0,0,0|1,0,0]=3 7416 B14R1.941 CCCNC(=O)c1ccc(c(c1)I)F 527a_100020643023_100000688015 [0,2,0,0,0,0|1,0,0]=3 7417 B14R1.941 CCCNC(=O)c1ccc(c(c1)I)I 11a_100020643023_100000725830 [0,2,0,0,0,0|1,0,0]=3 7418 B14R1.941 CCCNC(=O)c1ccc(c(c1)I)I 1626a_100020643023_100000725830 [0,2,0,0,0,0|1,0,0]=3 7419 B14R1.941 CCCNC(=O)c1ccc(c(c1)I)I 240690a_100020643023_100000725830 [0,2,0,0,0,0|1,0,0]=3 7420 B14R1.941 CCCNC(=O)c1ccc(c(c1)I)I 527a_100020643023_100000725830 [0,2,0,0,0,0|1,0,0]=3 7421 B14R1.941 CCCNC(=O)c1ccc(c(c1)I)O 1626a_100020643023_100000037485 [0,2,0,0,0,0|1,0,0]=3 7422 B14R1.941 CCCNC(=O)c1ccc(c(c1)I)O 240690a_100020643023_100000037485 [0,2,0,0,0,0|1,0,0]=3 7423 B14R1.941 CCCNC(=O)c1ccc(c(c1)O)Br 240690a_100020643023_100000689001 [0,2,0,0,0,0|1,0,0]=3 7424 B14R1.941 CCCNC(=O)c1ccc(c(c1)O)Br 527a_100020643023_100000689001 [0,2,0,0,0,0|1,0,0]=3 7425 B14R1.941 CCCNC(=O)c1ccc(c(c1)O)C 240690a_100020643023_100000233767 [0,2,0,0,0,0|1,0,0]=3 7426 B14R1.941 CCCNC(=O)c1ccc(c(c1)O)Cl 240690a_100020643023_100011933997 [0,2,0,0,0,0|1,0,0]=3 7427 B14R1.941 CCCNC(=O)c1ccc(c(c1)O)Cl 527a_100020643023_100011933997 [0,2,0,0,0,0|1,0,0]=3 7428 B14R1.941 CCCNC(=O)c1ccc(c(c1)O)F 240690a_100020643023_100000035894 [0,2,0,0,0,0|1,0,0]=3 7429 B14R1.941 CCCNC(=O)c1ccc(c(c1)O)F 271570a_203496583355_200012359901 [0,2,0,0,0,0|1,0,0]=3 7430 B14R1.941 CCCNC(=O)c1ccc(c(c1)O)F 527a_100020643023_100000035894 [0,2,0,0,0,0|1,0,0]=3 7431 B14R1.941 CCCNC(=O)c1ccc(c(c1)O)I 1626a_100020643023_100000239334 [0,2,0,0,0,0|1,0,0]=3 7432 B14R1.941 CCCNC(=O)c1ccc(c(c1)O)I 240690a_100020643023_100000239334 [0,2,0,0,0,0|1,0,0]=3 7433 B14R1.941 CCCNC(=O)c1ccc(c(c1)O)I 527a_100020643023_100000239334 [0,2,0,0,0,0|1,0,0]=3 7434 B14R1.941 CCCOC(=O)c1ccc(c(c1)C)O 271570a_203496583355_200013322381 [0,2,0,0,0,0|0,0,0]=2 7435 B14R1.941 CCCOC(C)c1ccc(c(c1)Br)F 34a_100011191524_100000210303 [0,2,0,0,0,0|1,0,1]=4 7436 B14R1.941 CCCOC(C)c1ccc(c(c1)Br)F 7a_100011191524_100000210303 [0,2,0,0,0,0|1,0,1]=4 7437 B14R1.941 CCCOC(C)c1ccc(c(c1)Cl)Cl 34a_100000742046_100000210303 [0,2,0,0,0,0|1,0,1]=4 7438 B14R1.941 CCCOC(C)c1ccc(c(c1)Cl)Cl 7a_100000742046_100000210303 [0,2,0,0,0,0|1,0,1]=4 7439 B14R1.941 CCCOC(C)c1ccc(c(c1)F)Cl 34a_100011944057_100000210303 [0,2,0,0,0,0|1,0,1]=4 7440 B14R1.941 CCCOC(C)c1ccc(c(c1)F)Cl 7a_100011944057_100000210303 [0,2,0,0,0,0|1,0,1]=4 7441 B14R1.941 CCCOC(C)c1ccc(c(c1)F)F 34a_100000246517_100000210303 [0,2,0,0,0,0|1,0,1]=4 7442 B14R1.941 CCCOC(C)c1ccc(c(c1)F)F 7a_100000246517_100000210303 [0,2,0,0,0,0|1,0,1]=4 7443 B14R1.941 CCNCC(=O)c1ccc(c(c1)Br)C 2230a_100015525214_100012346676 [0,2,0,0,0,0|2,0,0]=4 7444 B14R1.941 CCNCC(=O)c1ccc(c(c1)Br)F 2230a_100015525214_100011217175 [0,2,0,0,0,0|2,0,0]=4 7445 B14R1.941 CCNCC(=O)c1ccc(c(c1)C)C 2230a_100015525214_100000183365 [0,2,0,0,0,0|2,0,0]=4 7446 B14R1.941 CCNCC(=O)c1ccc(c(c1)Cl)Br 2230a_100015525214_200012349649 [0,2,0,0,0,0|2,0,0]=4 7447 B14R1.941 CCNCC(=O)c1ccc(c(c1)Cl)Cl 2230a_100015525214_100000211430 [0,2,0,0,0,0|2,0,0]=4 7448 B14R1.941 CCNCC(=O)c1ccc(c(c1)Cl)F 2230a_100015525214_100000757878 [0,2,0,0,0,0|2,0,0]=4 7449 B14R1.941 CCNCC(=O)c1ccc(c(c1)F)Br 2230a_100015525214_100012361357 [0,2,0,0,0,0|2,0,0]=4 7450 B14R1.941 CCNCC(=O)c1ccc(c(c1)F)C 2230a_100015525214_100011219196 [0,2,0,0,0,0|2,0,0]=4 7451 B14R1.941 CCNCC(=O)c1ccc(c(c1)F)Cl 2230a_100015525214_100012351892 [0,2,0,0,0,0|2,0,0]=4 7452 B14R1.941 CCNCC(=O)c1ccc(c(c1)F)F 2230a_100015525214_100000183380 [0,2,0,0,0,0|2,0,0]=4 7453 B14R1.941 CCNNC(=O)c1ccc(c(c1)Br)Br 22a_100000756455_100012339404 [0,2,0,0,0,0|2,0,0]=4 7454 B14R1.941 CCNNC(=O)c1ccc(c(c1)Br)C 22a_100000756455_100000186397 [0,2,0,0,0,0|2,0,0]=4 7455 B14R1.941 CCNNC(=O)c1ccc(c(c1)Br)Cl 22a_100000756455_100000691181 [0,2,0,0,0,0|2,0,0]=4 7456 B14R1.941 CCNNC(=O)c1ccc(c(c1)Br)F 22a_100000756455_100000760357 [0,2,0,0,0,0|2,0,0]=4 7457 B14R1.941 CCNNC(=O)c1ccc(c(c1)Br)I 22a_100000756455_100000739115 [0,2,0,0,0,0|2,0,0]=4 7458 B14R1.941 CCNNC(=O)c1ccc(c(c1)Br)O 22a_100000756455_100000189672 [0,2,0,0,0,0|2,0,0]=4 7459 B14R1.941 CCNNC(=O)c1ccc(c(c1)C)Br 22a_100000756455_100000692631 [0,2,0,0,0,0|2,0,0]=4 7460 B14R1.941 CCNNC(=O)c1ccc(c(c1)C)C 22a_100000756455_100000210898 [0,2,0,0,0,0|2,0,0]=4 7461 B14R1.941 CCNNC(=O)c1ccc(c(c1)C)Cl 22a_100000756455_100000686306 [0,2,0,0,0,0|2,0,0]=4 7462 B14R1.941 CCNNC(=O)c1ccc(c(c1)C)F 22a_100000756455_100000751819 [0,2,0,0,0,0|2,0,0]=4 7463 B14R1.941 CCNNC(=O)c1ccc(c(c1)C)I 22a_100000756455_100000751300 [0,2,0,0,0,0|2,0,0]=4 7464 B14R1.941 CCNNC(=O)c1ccc(c(c1)C)O 22a_100000756455_100000685612 [0,2,0,0,0,0|2,0,0]=4 7465 B14R1.941 CCNNC(=O)c1ccc(c(c1)Cl)Br 22a_100000756455_100000687082 [0,2,0,0,0,0|2,0,0]=4 7466 B14R1.941 CCNNC(=O)c1ccc(c(c1)Cl)C 22a_100000756455_100000751740 [0,2,0,0,0,0|2,0,0]=4 7467 B14R1.941 CCNNC(=O)c1ccc(c(c1)Cl)Cl 22a_100000756455_100000210401 [0,2,0,0,0,0|2,0,0]=4 7468 B14R1.941 CCNNC(=O)c1ccc(c(c1)Cl)F 22a_100000756455_100000686462 [0,2,0,0,0,0|2,0,0]=4 7469 B14R1.941 CCNNC(=O)c1ccc(c(c1)Cl)I 22a_100000756455_100000684831 [0,2,0,0,0,0|2,0,0]=4 7470 B14R1.941 CCNNC(=O)c1ccc(c(c1)Cl)O 22a_100000756455_100000212196 [0,2,0,0,0,0|2,0,0]=4 7471 B14R1.941 CCNNC(=O)c1ccc(c(c1)F)Br 22a_100000756455_100000743946 [0,2,0,0,0,0|2,0,0]=4 7472 B14R1.941 CCNNC(=O)c1ccc(c(c1)F)C 22a_100000756455_100000212313 [0,2,0,0,0,0|2,0,0]=4 7473 B14R1.941 CCNNC(=O)c1ccc(c(c1)F)Cl 22a_100000756455_100000743183 [0,2,0,0,0,0|2,0,0]=4 7474 B14R1.941 CCNNC(=O)c1ccc(c(c1)F)F 22a_100000756455_100000209822 [0,2,0,0,0,0|2,0,0]=4 7475 B14R1.941 CCNNC(=O)c1ccc(c(c1)F)I 22a_100000756455_100000062624 [0,2,0,0,0,0|2,0,0]=4 7476 B14R1.941 CCNNC(=O)c1ccc(c(c1)F)O 22a_100000756455_100000185466 [0,2,0,0,0,0|2,0,0]=4 7477 B14R1.941 CCNNC(=O)c1ccc(c(c1)I)Br 22a_100000756455_100012343876 [0,2,0,0,0,0|2,0,0]=4 7478 B14R1.941 CCNNC(=O)c1ccc(c(c1)I)C 22a_100000756455_100000751299 [0,2,0,0,0,0|2,0,0]=4 7479 B14R1.941 CCNNC(=O)c1ccc(c(c1)I)Cl 22a_100000756455_100000739381 [0,2,0,0,0,0|2,0,0]=4 7480 B14R1.941 CCNNC(=O)c1ccc(c(c1)I)F 22a_100000756455_100000688015 [0,2,0,0,0,0|2,0,0]=4 7481 B14R1.941 CCNNC(=O)c1ccc(c(c1)I)I 22a_100000756455_100000725830 [0,2,0,0,0,0|2,0,0]=4 7482 B14R1.941 CCNNC(=O)c1ccc(c(c1)I)O 22a_100000756455_100000037485 [0,2,0,0,0,0|2,0,0]=4 7483 B14R1.941 CCNNC(=O)c1ccc(c(c1)O)Br 22a_100000756455_100000689001 [0,2,0,0,0,0|2,0,0]=4 7484 B14R1.941 CCNNC(=O)c1ccc(c(c1)O)C 22a_100000756455_100000233767 [0,2,0,0,0,0|2,0,0]=4 7485 B14R1.941 CCNNC(=O)c1ccc(c(c1)O)Cl 22a_100000756455_100011933997 [0,2,0,0,0,0|2,0,0]=4 7486 B14R1.941 CCNNC(=O)c1ccc(c(c1)O)F 22a_100000756455_100000035894 [0,2,0,0,0,0|2,0,0]=4 7487 B14R1.941 CCNNC(=O)c1ccc(c(c1)O)I 22a_100000756455_100000239334 [0,2,0,0,0,0|2,0,0]=4 7488 B14R1.941 CCOCC(=O)c1ccc(c(c1)Br)C 34a_100121572206_100012346676 [0,2,0,0,0,0|2,0,0]=4 7489 B14R1.941 CCOCC(=O)c1ccc(c(c1)Br)F 34a_100121572206_100011217175 [0,2,0,0,0,0|2,0,0]=4 7490 B14R1.941 CCOCC(=O)c1ccc(c(c1)Cl)Br 34a_100121572206_200012349649 [0,2,0,0,0,0|2,0,0]=4 7491 B14R1.941 CCOCC(=O)c1ccc(c(c1)Cl)Cl 7a_100000246375_100000210202 [0,2,0,0,0,0|2,0,0]=4 7492 B14R1.941 CCOCC(=O)c1ccc(c(c1)Cl)F 34a_100121572206_100000757878 [0,2,0,0,0,0|2,0,0]=4 7493 B14R1.941 CCOCC(=O)c1ccc(c(c1)F)Br 34a_100121572206_100012361357 [0,2,0,0,0,0|2,0,0]=4 7494 B14R1.941 CCOCC(=O)c1ccc(c(c1)F)C 34a_100121572206_100011219196 [0,2,0,0,0,0|2,0,0]=4 7495 B14R1.941 CCOCC(=O)c1ccc(c(c1)F)Cl 34a_100121572206_100012351892 [0,2,0,0,0,0|2,0,0]=4 7496 B14R1.941 CCOCC(=O)c1ccc(c(c1)F)F 34a_100121572206_100000183380 [0,2,0,0,0,0|2,0,0]=4 7497 B14R1.941 CCSCC(=O)c1ccc(c(c1)Br)C 62a_100000210202_100012346676 [0,2,0,0,0,0|2,0,0]=4 7498 B14R1.941 CCSCC(=O)c1ccc(c(c1)Br)C 62a_100012346676_100000210202 [0,2,0,0,0,0|2,0,0]=4 7499 B14R1.941 CCSCC(=O)c1ccc(c(c1)Br)F 62a_100000210202_100011217175 [0,2,0,0,0,0|2,0,0]=4 7500 B14R1.941 CCSCC(=O)c1ccc(c(c1)Br)F 62a_100011217175_100000210202 [0,2,0,0,0,0|2,0,0]=4 7501 B14R1.941 CCSCC(=O)c1ccc(c(c1)C)C 62a_100000183365_100000210202 [0,2,0,0,0,0|2,0,0]=4 7502 B14R1.941 CCSCC(=O)c1ccc(c(c1)C)C 62a_100000210202_100000183365 [0,2,0,0,0,0|2,0,0]=4 7503 B14R1.941 CCSCC(=O)c1ccc(c(c1)C)Cl 62a_100000210202_200011216723 [0,2,0,0,0,0|2,0,0]=4 7504 B14R1.941 CCSCC(=O)c1ccc(c(c1)C)Cl 62a_200011216723_100000210202 [0,2,0,0,0,0|2,0,0]=4 7505 B14R1.941 CCSCC(=O)c1ccc(c(c1)Cl)Br 62a_100000210202_200012349649 [0,2,0,0,0,0|2,0,0]=4 7506 B14R1.941 CCSCC(=O)c1ccc(c(c1)Cl)Br 62a_200012349649_100000210202 [0,2,0,0,0,0|2,0,0]=4 7507 B14R1.941 CCSCC(=O)c1ccc(c(c1)Cl)Cl 62a_100000210202_100000211430 [0,2,0,0,0,0|2,0,0]=4 7508 B14R1.941 CCSCC(=O)c1ccc(c(c1)Cl)Cl 62a_100000211430_100000210202 [0,2,0,0,0,0|2,0,0]=4 7509 B14R1.941 CCSCC(=O)c1ccc(c(c1)Cl)F 62a_100000210202_100000757878 [0,2,0,0,0,0|2,0,0]=4 7510 B14R1.941 CCSCC(=O)c1ccc(c(c1)Cl)F 62a_100000757878_100000210202 [0,2,0,0,0,0|2,0,0]=4 7511 B14R1.941 CCSCC(=O)c1ccc(c(c1)Cl)O 62a_100000210202_200010170092 [0,2,0,0,0,0|2,0,0]=4 7512 B14R1.941 CCSCC(=O)c1ccc(c(c1)Cl)O 62a_200010170092_100000210202 [0,2,0,0,0,0|2,0,0]=4 7513 B14R1.941 CCSCC(=O)c1ccc(c(c1)F)Br 62a_100000210202_100012361357 [0,2,0,0,0,0|2,0,0]=4 7514 B14R1.941 CCSCC(=O)c1ccc(c(c1)F)Br 62a_100012361357_100000210202 [0,2,0,0,0,0|2,0,0]=4 7515 B14R1.941 CCSCC(=O)c1ccc(c(c1)F)C 62a_100000210202_100011219196 [0,2,0,0,0,0|2,0,0]=4 7516 B14R1.941 CCSCC(=O)c1ccc(c(c1)F)C 62a_100011219196_100000210202 [0,2,0,0,0,0|2,0,0]=4 7517 B14R1.941 CCSCC(=O)c1ccc(c(c1)F)Cl 62a_100000210202_100012351892 [0,2,0,0,0,0|2,0,0]=4 7518 B14R1.941 CCSCC(=O)c1ccc(c(c1)F)Cl 62a_100012351892_100000210202 [0,2,0,0,0,0|2,0,0]=4 7519 B14R1.941 CCSCC(=O)c1ccc(c(c1)F)F 62a_100000183380_100000210202 [0,2,0,0,0,0|2,0,0]=4 7520 B14R1.941 CCSCC(=O)c1ccc(c(c1)F)F 62a_100000210202_100000183380 [0,2,0,0,0,0|2,0,0]=4 7521 B14R1.941 CCSCC(=O)c1ccc(c(c1)O)O 62a_100000210202_100000183813 [0,2,0,0,0,0|2,0,0]=4 7522 B14R1.941 CNCCC(=O)c1ccc(c(c1)Cl)Cl 2230a_106832991635_100012356702 [0,2,0,0,0,0|2,0,0]=4 7523 B14R1.941 CNCCC(=O)c1ccc(c(c1)Cl)Cl 7a_106832991635_100012356702 [0,2,0,0,0,0|2,0,0]=4 7524 B14R1.941 COCCC(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_100000233755 [0,2,0,0,0,0|2,0,0]=4 7525 B14R1.941 COCCC(=O)c1ccc(c(c1)Br)C 1458a_100000186397_100000233755 [0,2,0,0,0,0|2,0,0]=4 7526 B14R1.941 COCCC(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_100000233755 [0,2,0,0,0,0|2,0,0]=4 7527 B14R1.941 COCCC(=O)c1ccc(c(c1)Br)F 1458a_100000760357_100000233755 [0,2,0,0,0,0|2,0,0]=4 7528 B14R1.941 COCCC(=O)c1ccc(c(c1)Br)I 1458a_100000739115_100000233755 [0,2,0,0,0,0|2,0,0]=4 7529 B14R1.941 COCCC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100000233755 [0,2,0,0,0,0|2,0,0]=4 7530 B14R1.941 COCCC(=O)c1ccc(c(c1)C)Br 1458a_100000692631_100000233755 [0,2,0,0,0,0|2,0,0]=4 7531 B14R1.941 COCCC(=O)c1ccc(c(c1)C)C 1458a_100000210898_100000233755 [0,2,0,0,0,0|2,0,0]=4 7532 B14R1.941 COCCC(=O)c1ccc(c(c1)C)Cl 1458a_100000686306_100000233755 [0,2,0,0,0,0|2,0,0]=4 7533 B14R1.941 COCCC(=O)c1ccc(c(c1)C)F 1458a_100000751819_100000233755 [0,2,0,0,0,0|2,0,0]=4 7534 B14R1.941 COCCC(=O)c1ccc(c(c1)C)I 1458a_100000751300_100000233755 [0,2,0,0,0,0|2,0,0]=4 7535 B14R1.941 COCCC(=O)c1ccc(c(c1)C)O 1458a_100000685612_100000233755 [0,2,0,0,0,0|2,0,0]=4 7536 B14R1.941 COCCC(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_100000233755 [0,2,0,0,0,0|2,0,0]=4 7537 B14R1.941 COCCC(=O)c1ccc(c(c1)Cl)C 1458a_100000751740_100000233755 [0,2,0,0,0,0|2,0,0]=4 7538 B14R1.941 COCCC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_100000233755 [0,2,0,0,0,0|2,0,0]=4 7539 B14R1.941 COCCC(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_100000233755 [0,2,0,0,0,0|2,0,0]=4 7540 B14R1.941 COCCC(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_100000233755 [0,2,0,0,0,0|2,0,0]=4 7541 B14R1.941 COCCC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100000233755 [0,2,0,0,0,0|2,0,0]=4 7542 B14R1.941 COCCC(=O)c1ccc(c(c1)F)Br 1458a_100000743946_100000233755 [0,2,0,0,0,0|2,0,0]=4 7543 B14R1.941 COCCC(=O)c1ccc(c(c1)F)C 1458a_100000212313_100000233755 [0,2,0,0,0,0|2,0,0]=4 7544 B14R1.941 COCCC(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_100000233755 [0,2,0,0,0,0|2,0,0]=4 7545 B14R1.941 COCCC(=O)c1ccc(c(c1)F)F 1458a_100000209822_100000233755 [0,2,0,0,0,0|2,0,0]=4 7546 B14R1.941 COCCC(=O)c1ccc(c(c1)F)I 1458a_100000062624_100000233755 [0,2,0,0,0,0|2,0,0]=4 7547 B14R1.941 COCCC(=O)c1ccc(c(c1)F)O 1458a_100000185466_100000233755 [0,2,0,0,0,0|2,0,0]=4 7548 B14R1.941 COCCC(=O)c1ccc(c(c1)I)Br 1458a_100012343876_100000233755 [0,2,0,0,0,0|2,0,0]=4 7549 B14R1.941 COCCC(=O)c1ccc(c(c1)I)C 1458a_100000751299_100000233755 [0,2,0,0,0,0|2,0,0]=4 7550 B14R1.941 COCCC(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_100000233755 [0,2,0,0,0,0|2,0,0]=4 7551 B14R1.941 COCCC(=O)c1ccc(c(c1)I)F 1458a_100000688015_100000233755 [0,2,0,0,0,0|2,0,0]=4 7552 B14R1.941 COCCC(=O)c1ccc(c(c1)I)I 1458a_100000725830_100000233755 [0,2,0,0,0,0|2,0,0]=4 7553 B14R1.941 COCCC(=O)c1ccc(c(c1)I)O 1458a_100000037485_100000233755 [0,2,0,0,0,0|2,0,0]=4 7554 B14R1.941 COCCC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_100000233755 [0,2,0,0,0,0|2,0,0]=4 7555 B14R1.941 COCCC(=O)c1ccc(c(c1)O)C 1458a_100000233767_100000233755 [0,2,0,0,0,0|2,0,0]=4 7556 B14R1.941 COCCC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_100000233755 [0,2,0,0,0,0|2,0,0]=4 7557 B14R1.941 COCCC(=O)c1ccc(c(c1)O)F 1458a_100000035894_100000233755 [0,2,0,0,0,0|2,0,0]=4 7558 B14R1.941 COCCC(=O)c1ccc(c(c1)O)I 1458a_100000239334_100000233755 [0,2,0,0,0,0|2,0,0]=4 7559 B14R1.941 COCCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000233755 [0,2,0,0,0,0|2,0,0]=4 7560 B14R1.941 CSCCC(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_100000751147 [0,2,0,0,0,0|2,0,0]=4 7561 B14R1.941 CSCCC(=O)c1ccc(c(c1)Br)C 1458a_100000186397_100000751147 [0,2,0,0,0,0|2,0,0]=4 7562 B14R1.941 CSCCC(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_100000751147 [0,2,0,0,0,0|2,0,0]=4 7563 B14R1.941 CSCCC(=O)c1ccc(c(c1)Br)F 1458a_100000760357_100000751147 [0,2,0,0,0,0|2,0,0]=4 7564 B14R1.941 CSCCC(=O)c1ccc(c(c1)Br)I 1458a_100000739115_100000751147 [0,2,0,0,0,0|2,0,0]=4 7565 B14R1.941 CSCCC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100000751147 [0,2,0,0,0,0|2,0,0]=4 7566 B14R1.941 CSCCC(=O)c1ccc(c(c1)C)Br 1458a_100000692631_100000751147 [0,2,0,0,0,0|2,0,0]=4 7567 B14R1.941 CSCCC(=O)c1ccc(c(c1)C)C 1458a_100000210898_100000751147 [0,2,0,0,0,0|2,0,0]=4 7568 B14R1.941 CSCCC(=O)c1ccc(c(c1)C)Cl 1458a_100000686306_100000751147 [0,2,0,0,0,0|2,0,0]=4 7569 B14R1.941 CSCCC(=O)c1ccc(c(c1)C)F 1458a_100000751819_100000751147 [0,2,0,0,0,0|2,0,0]=4 7570 B14R1.941 CSCCC(=O)c1ccc(c(c1)C)I 1458a_100000751300_100000751147 [0,2,0,0,0,0|2,0,0]=4 7571 B14R1.941 CSCCC(=O)c1ccc(c(c1)C)O 1458a_100000685612_100000751147 [0,2,0,0,0,0|2,0,0]=4 7572 B14R1.941 CSCCC(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_100000751147 [0,2,0,0,0,0|2,0,0]=4 7573 B14R1.941 CSCCC(=O)c1ccc(c(c1)Cl)C 1458a_100000751740_100000751147 [0,2,0,0,0,0|2,0,0]=4 7574 B14R1.941 CSCCC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_100000751147 [0,2,0,0,0,0|2,0,0]=4 7575 B14R1.941 CSCCC(=O)c1ccc(c(c1)Cl)Cl 62a_100012356702_200000210301 [0,2,0,0,0,0|2,0,0]=4 7576 B14R1.941 CSCCC(=O)c1ccc(c(c1)Cl)Cl 62a_200000210301_100012356702 [0,2,0,0,0,0|2,0,0]=4 7577 B14R1.941 CSCCC(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_100000751147 [0,2,0,0,0,0|2,0,0]=4 7578 B14R1.941 CSCCC(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_100000751147 [0,2,0,0,0,0|2,0,0]=4 7579 B14R1.941 CSCCC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100000751147 [0,2,0,0,0,0|2,0,0]=4 7580 B14R1.941 CSCCC(=O)c1ccc(c(c1)F)Br 1458a_100000743946_100000751147 [0,2,0,0,0,0|2,0,0]=4 7581 B14R1.941 CSCCC(=O)c1ccc(c(c1)F)C 1458a_100000212313_100000751147 [0,2,0,0,0,0|2,0,0]=4 7582 B14R1.941 CSCCC(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_100000751147 [0,2,0,0,0,0|2,0,0]=4 7583 B14R1.941 CSCCC(=O)c1ccc(c(c1)F)F 1458a_100000209822_100000751147 [0,2,0,0,0,0|2,0,0]=4 7584 B14R1.941 CSCCC(=O)c1ccc(c(c1)F)I 1458a_100000062624_100000751147 [0,2,0,0,0,0|2,0,0]=4 7585 B14R1.941 CSCCC(=O)c1ccc(c(c1)F)O 1458a_100000185466_100000751147 [0,2,0,0,0,0|2,0,0]=4 7586 B14R1.941 CSCCC(=O)c1ccc(c(c1)I)Br 1458a_100012343876_100000751147 [0,2,0,0,0,0|2,0,0]=4 7587 B14R1.941 CSCCC(=O)c1ccc(c(c1)I)C 1458a_100000751299_100000751147 [0,2,0,0,0,0|2,0,0]=4 7588 B14R1.941 CSCCC(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_100000751147 [0,2,0,0,0,0|2,0,0]=4 7589 B14R1.941 CSCCC(=O)c1ccc(c(c1)I)F 1458a_100000688015_100000751147 [0,2,0,0,0,0|2,0,0]=4 7590 B14R1.941 CSCCC(=O)c1ccc(c(c1)I)I 1458a_100000725830_100000751147 [0,2,0,0,0,0|2,0,0]=4 7591 B14R1.941 CSCCC(=O)c1ccc(c(c1)I)O 1458a_100000037485_100000751147 [0,2,0,0,0,0|2,0,0]=4 7592 B14R1.941 CSCCC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_100000751147 [0,2,0,0,0,0|2,0,0]=4 7593 B14R1.941 CSCCC(=O)c1ccc(c(c1)O)C 1458a_100000233767_100000751147 [0,2,0,0,0,0|2,0,0]=4 7594 B14R1.941 CSCCC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_100000751147 [0,2,0,0,0,0|2,0,0]=4 7595 B14R1.941 CSCCC(=O)c1ccc(c(c1)O)F 1458a_100000035894_100000751147 [0,2,0,0,0,0|2,0,0]=4 7596 B14R1.941 CSCCC(=O)c1ccc(c(c1)O)I 1458a_100000239334_100000751147 [0,2,0,0,0,0|2,0,0]=4 7597 B14R1.941 CSCCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000751147 [0,2,0,0,0,0|2,0,0]=4 7598 B14R1.941 Cc1cc(ccc1Br)C(=O)CCCF 1458a_100000692631_100011934791 [0,2,0,0,0,0|2,0,0]=4 7599 B14R1.941 Cc1cc(ccc1Br)C(=O)CCCO 1458a_100000692631_100011215043 [0,2,0,0,0,0|2,0,0]=4 7600 B14R1.941 Cc1cc(ccc1Br)C(=O)NCCF 11a_100000724931_100000692631 [0,2,0,0,0,0|2,0,0]=4 7601 B14R1.941 Cc1cc(ccc1Br)C(=O)NCCF 1626a_100000724931_100000692631 [0,2,0,0,0,0|2,0,0]=4 7602 B14R1.941 Cc1cc(ccc1Br)C(=O)NCCF 240690a_100000724931_100000692631 [0,2,0,0,0,0|2,0,0]=4 7603 B14R1.941 Cc1cc(ccc1Br)C(=O)NCCF 527a_100000724931_100000692631 [0,2,0,0,0,0|2,0,0]=4 7604 B14R1.941 Cc1cc(ccc1Br)C(=O)NCCO 240690a_100000210304_100000692631 [0,2,0,0,0,0|2,0,0]=4 7605 B14R1.941 Cc1cc(ccc1Br)C(=O)NCCO 527a_100000210304_100000692631 [0,2,0,0,0,0|2,0,0]=4 7606 B14R1.941 Cc1cc(ccc1Cl)C(=O)CCCF 1458a_100000686306_100011934791 [0,2,0,0,0,0|2,0,0]=4 7607 B14R1.941 Cc1cc(ccc1Cl)C(=O)CCCO 1458a_100000686306_100011215043 [0,2,0,0,0,0|2,0,0]=4 7608 B14R1.941 Cc1cc(ccc1Cl)C(=O)NCCF 11a_100000724931_100000686306 [0,2,0,0,0,0|2,0,0]=4 7609 B14R1.941 Cc1cc(ccc1Cl)C(=O)NCCF 1626a_100000724931_100000686306 [0,2,0,0,0,0|2,0,0]=4 7610 B14R1.941 Cc1cc(ccc1Cl)C(=O)NCCF 240690a_100000724931_100000686306 [0,2,0,0,0,0|2,0,0]=4 7611 B14R1.941 Cc1cc(ccc1Cl)C(=O)NCCF 527a_100000724931_100000686306 [0,2,0,0,0,0|2,0,0]=4 7612 B14R1.941 Cc1cc(ccc1Cl)C(=O)NCCO 240690a_100000210304_100000686306 [0,2,0,0,0,0|2,0,0]=4 7613 B14R1.941 Cc1cc(ccc1Cl)C(=O)NCCO 527a_100000210304_100000686306 [0,2,0,0,0,0|2,0,0]=4 7614 B14R1.941 Cc1cc(ccc1F)C(=O)CCCF 1458a_100000751819_100011934791 [0,2,0,0,0,0|2,0,0]=4 7615 B14R1.941 Cc1cc(ccc1F)C(=O)CCCO 1458a_100000751819_100011215043 [0,2,0,0,0,0|2,0,0]=4 7616 B14R1.941 Cc1cc(ccc1F)C(=O)NCCF 11a_100000724931_100000751819 [0,2,0,0,0,0|2,0,0]=4 7617 B14R1.941 Cc1cc(ccc1F)C(=O)NCCF 1626a_100000724931_100000751819 [0,2,0,0,0,0|2,0,0]=4 7618 B14R1.941 Cc1cc(ccc1F)C(=O)NCCF 240690a_100000724931_100000751819 [0,2,0,0,0,0|2,0,0]=4 7619 B14R1.941 Cc1cc(ccc1F)C(=O)NCCF 527a_100000724931_100000751819 [0,2,0,0,0,0|2,0,0]=4 7620 B14R1.941 Cc1cc(ccc1F)C(=O)NCCO 240690a_100000210304_100000751819 [0,2,0,0,0,0|2,0,0]=4 7621 B14R1.941 Cc1cc(ccc1F)C(=O)NCCO 527a_100000210304_100000751819 [0,2,0,0,0,0|2,0,0]=4 7622 B14R1.941 Cc1cc(ccc1I)C(=O)CCCF 1458a_100000751300_100011934791 [0,2,0,0,0,0|2,0,0]=4 7623 B14R1.941 Cc1cc(ccc1I)C(=O)CCCO 1458a_100000751300_100011215043 [0,2,0,0,0,0|2,0,0]=4 7624 B14R1.941 Cc1cc(ccc1I)C(=O)NCCF 11a_100000724931_100000751300 [0,2,0,0,0,0|2,0,0]=4 7625 B14R1.941 Cc1cc(ccc1I)C(=O)NCCF 1626a_100000724931_100000751300 [0,2,0,0,0,0|2,0,0]=4 7626 B14R1.941 Cc1cc(ccc1I)C(=O)NCCF 240690a_100000724931_100000751300 [0,2,0,0,0,0|2,0,0]=4 7627 B14R1.941 Cc1cc(ccc1I)C(=O)NCCF 527a_100000724931_100000751300 [0,2,0,0,0,0|2,0,0]=4 7628 B14R1.941 Cc1cc(ccc1I)C(=O)NCCO 240690a_100000210304_100000751300 [0,2,0,0,0,0|2,0,0]=4 7629 B14R1.941 Cc1cc(ccc1I)C(=O)NCCO 527a_100000210304_100000751300 [0,2,0,0,0,0|2,0,0]=4 7630 B14R1.941 Cc1cc(ccc1O)C(=O)CCCF 1458a_100000685612_100011934791 [0,2,0,0,0,0|2,0,0]=4 7631 B14R1.941 Cc1cc(ccc1O)C(=O)CCCO 1458a_100000685612_100011215043 [0,2,0,0,0,0|2,0,0]=4 7632 B14R1.941 Cc1cc(ccc1O)C(=O)NCCF 240690a_100000724931_100000685612 [0,2,0,0,0,0|2,0,0]=4 7633 B14R1.941 Cc1cc(ccc1O)C(=O)NCCO 240690a_100000210304_100000685612 [0,2,0,0,0,0|2,0,0]=4 7634 B14R1.941 Cc1ccc(cc1Br)C(=O)CCCF 1458a_100000186397_100011934791 [0,2,0,0,0,0|2,0,0]=4 7635 B14R1.941 Cc1ccc(cc1Br)C(=O)CCCO 1458a_100000186397_100011215043 [0,2,0,0,0,0|2,0,0]=4 7636 B14R1.941 Cc1ccc(cc1Br)C(=O)NCCF 11a_100000724931_100000186397 [0,2,0,0,0,0|2,0,0]=4 7637 B14R1.941 Cc1ccc(cc1Br)C(=O)NCCF 1626a_100000724931_100000186397 [0,2,0,0,0,0|2,0,0]=4 7638 B14R1.941 Cc1ccc(cc1Br)C(=O)NCCF 240690a_100000724931_100000186397 [0,2,0,0,0,0|2,0,0]=4 7639 B14R1.941 Cc1ccc(cc1Br)C(=O)NCCF 527a_100000724931_100000186397 [0,2,0,0,0,0|2,0,0]=4 7640 B14R1.941 Cc1ccc(cc1Br)C(=O)NCCO 240690a_100000210304_100000186397 [0,2,0,0,0,0|2,0,0]=4 7641 B14R1.941 Cc1ccc(cc1Br)C(=O)NCCO 527a_100000210304_100000186397 [0,2,0,0,0,0|2,0,0]=4 7642 B14R1.941 Cc1ccc(cc1C)C(=O)CCCF 1458a_100000210898_100011934791 [0,2,0,0,0,0|2,0,0]=4 7643 B14R1.941 Cc1ccc(cc1C)C(=O)CCCO 1458a_100000210898_100011215043 [0,2,0,0,0,0|2,0,0]=4 7644 B14R1.941 Cc1ccc(cc1C)C(=O)NCCF 11a_100000724931_100000210898 [0,2,0,0,0,0|2,0,0]=4 7645 B14R1.941 Cc1ccc(cc1C)C(=O)NCCF 1626a_100000724931_100000210898 [0,2,0,0,0,0|2,0,0]=4 7646 B14R1.941 Cc1ccc(cc1C)C(=O)NCCF 240690a_100000724931_100000210898 [0,2,0,0,0,0|2,0,0]=4 7647 B14R1.941 Cc1ccc(cc1C)C(=O)NCCF 527a_100000724931_100000210898 [0,2,0,0,0,0|2,0,0]=4 7648 B14R1.941 Cc1ccc(cc1C)C(=O)NCCO 240690a_100000210304_100000210898 [0,2,0,0,0,0|2,0,0]=4 7649 B14R1.941 Cc1ccc(cc1C)C(=O)NCCO 527a_100000210304_100000210898 [0,2,0,0,0,0|2,0,0]=4 7650 B14R1.941 Cc1ccc(cc1Cl)C(=O)CCCF 1458a_100000751740_100011934791 [0,2,0,0,0,0|2,0,0]=4 7651 B14R1.941 Cc1ccc(cc1Cl)C(=O)CCCO 1458a_100000751740_100011215043 [0,2,0,0,0,0|2,0,0]=4 7652 B14R1.941 Cc1ccc(cc1Cl)C(=O)NCCF 11a_100000724931_100000751740 [0,2,0,0,0,0|2,0,0]=4 7653 B14R1.941 Cc1ccc(cc1Cl)C(=O)NCCF 1626a_100000724931_100000751740 [0,2,0,0,0,0|2,0,0]=4 7654 B14R1.941 Cc1ccc(cc1Cl)C(=O)NCCF 240690a_100000724931_100000751740 [0,2,0,0,0,0|2,0,0]=4 7655 B14R1.941 Cc1ccc(cc1Cl)C(=O)NCCF 527a_100000724931_100000751740 [0,2,0,0,0,0|2,0,0]=4 7656 B14R1.941 Cc1ccc(cc1Cl)C(=O)NCCO 240690a_100000210304_100000751740 [0,2,0,0,0,0|2,0,0]=4 7657 B14R1.941 Cc1ccc(cc1Cl)C(=O)NCCO 527a_100000210304_100000751740 [0,2,0,0,0,0|2,0,0]=4 7658 B14R1.941 Cc1ccc(cc1F)C(=O)CCCF 1458a_100000212313_100011934791 [0,2,0,0,0,0|2,0,0]=4 7659 B14R1.941 Cc1ccc(cc1F)C(=O)CCCO 1458a_100000212313_100011215043 [0,2,0,0,0,0|2,0,0]=4 7660 B14R1.941 Cc1ccc(cc1F)C(=O)NCCF 11a_100000724931_100000212313 [0,2,0,0,0,0|2,0,0]=4 7661 B14R1.941 Cc1ccc(cc1F)C(=O)NCCF 1626a_100000724931_100000212313 [0,2,0,0,0,0|2,0,0]=4 7662 B14R1.941 Cc1ccc(cc1F)C(=O)NCCF 240690a_100000724931_100000212313 [0,2,0,0,0,0|2,0,0]=4 7663 B14R1.941 Cc1ccc(cc1F)C(=O)NCCF 527a_100000724931_100000212313 [0,2,0,0,0,0|2,0,0]=4 7664 B14R1.941 Cc1ccc(cc1F)C(=O)NCCO 240690a_100000210304_100000212313 [0,2,0,0,0,0|2,0,0]=4 7665 B14R1.941 Cc1ccc(cc1F)C(=O)NCCO 527a_100000210304_100000212313 [0,2,0,0,0,0|2,0,0]=4 7666 B14R1.941 Cc1ccc(cc1I)C(=O)CCCF 1458a_100000751299_100011934791 [0,2,0,0,0,0|2,0,0]=4 7667 B14R1.941 Cc1ccc(cc1I)C(=O)CCCO 1458a_100000751299_100011215043 [0,2,0,0,0,0|2,0,0]=4 7668 B14R1.941 Cc1ccc(cc1I)C(=O)NCCF 11a_100000724931_100000751299 [0,2,0,0,0,0|2,0,0]=4 7669 B14R1.941 Cc1ccc(cc1I)C(=O)NCCF 1626a_100000724931_100000751299 [0,2,0,0,0,0|2,0,0]=4 7670 B14R1.941 Cc1ccc(cc1I)C(=O)NCCF 240690a_100000724931_100000751299 [0,2,0,0,0,0|2,0,0]=4 7671 B14R1.941 Cc1ccc(cc1I)C(=O)NCCF 527a_100000724931_100000751299 [0,2,0,0,0,0|2,0,0]=4 7672 B14R1.941 Cc1ccc(cc1I)C(=O)NCCO 240690a_100000210304_100000751299 [0,2,0,0,0,0|2,0,0]=4 7673 B14R1.941 Cc1ccc(cc1I)C(=O)NCCO 527a_100000210304_100000751299 [0,2,0,0,0,0|2,0,0]=4 7674 B14R1.941 Cc1ccc(cc1O)C(=O)CCCF 1458a_100000233767_100011934791 [0,2,0,0,0,0|2,0,0]=4 7675 B14R1.941 Cc1ccc(cc1O)C(=O)CCCO 1458a_100000233767_100011215043 [0,2,0,0,0,0|2,0,0]=4 7676 B14R1.941 Cc1ccc(cc1O)C(=O)NCCF 240690a_100000724931_100000233767 [0,2,0,0,0,0|2,0,0]=4 7677 B14R1.941 Cc1ccc(cc1O)C(=O)NCCO 240690a_100000210304_100000233767 [0,2,0,0,0,0|2,0,0]=4 7678 B14R1.941 O=C(CCCF)c1ccc(c(c1)Br)Br 1458a_100012339404_100011934791 [0,2,0,0,0,0|2,0,0]=4 7679 B14R1.941 O=C(CCCF)c1ccc(c(c1)Br)Cl 1458a_100000691181_100011934791 [0,2,0,0,0,0|2,0,0]=4 7680 B14R1.941 O=C(CCCF)c1ccc(c(c1)Br)F 1458a_100000760357_100011934791 [0,2,0,0,0,0|2,0,0]=4 7681 B14R1.941 O=C(CCCF)c1ccc(c(c1)Br)I 1458a_100000739115_100011934791 [0,2,0,0,0,0|2,0,0]=4 7682 B14R1.941 O=C(CCCF)c1ccc(c(c1)Br)O 1458a_100000189672_100011934791 [0,2,0,0,0,0|2,0,0]=4 7683 B14R1.941 O=C(CCCF)c1ccc(c(c1)Cl)Br 1458a_100000687082_100011934791 [0,2,0,0,0,0|2,0,0]=4 7684 B14R1.941 O=C(CCCF)c1ccc(c(c1)Cl)Cl 1458a_100000210401_100011934791 [0,2,0,0,0,0|2,0,0]=4 7685 B14R1.941 O=C(CCCF)c1ccc(c(c1)Cl)F 1458a_100000686462_100011934791 [0,2,0,0,0,0|2,0,0]=4 7686 B14R1.941 O=C(CCCF)c1ccc(c(c1)Cl)I 1458a_100000684831_100011934791 [0,2,0,0,0,0|2,0,0]=4 7687 B14R1.941 O=C(CCCF)c1ccc(c(c1)Cl)O 1458a_100000212196_100011934791 [0,2,0,0,0,0|2,0,0]=4 7688 B14R1.941 O=C(CCCF)c1ccc(c(c1)F)Br 1458a_100000743946_100011934791 [0,2,0,0,0,0|2,0,0]=4 7689 B14R1.941 O=C(CCCF)c1ccc(c(c1)F)Cl 1458a_100000743183_100011934791 [0,2,0,0,0,0|2,0,0]=4 7690 B14R1.941 O=C(CCCF)c1ccc(c(c1)F)F 1458a_100000209822_100011934791 [0,2,0,0,0,0|2,0,0]=4 7691 B14R1.941 O=C(CCCF)c1ccc(c(c1)F)I 1458a_100000062624_100011934791 [0,2,0,0,0,0|2,0,0]=4 7692 B14R1.941 O=C(CCCF)c1ccc(c(c1)F)O 1458a_100000185466_100011934791 [0,2,0,0,0,0|2,0,0]=4 7693 B14R1.941 O=C(CCCF)c1ccc(c(c1)I)Br 1458a_100012343876_100011934791 [0,2,0,0,0,0|2,0,0]=4 7694 B14R1.941 O=C(CCCF)c1ccc(c(c1)I)Cl 1458a_100000739381_100011934791 [0,2,0,0,0,0|2,0,0]=4 7695 B14R1.941 O=C(CCCF)c1ccc(c(c1)I)F 1458a_100000688015_100011934791 [0,2,0,0,0,0|2,0,0]=4 7696 B14R1.941 O=C(CCCF)c1ccc(c(c1)I)I 1458a_100000725830_100011934791 [0,2,0,0,0,0|2,0,0]=4 7697 B14R1.941 O=C(CCCF)c1ccc(c(c1)I)O 1458a_100000037485_100011934791 [0,2,0,0,0,0|2,0,0]=4 7698 B14R1.941 O=C(CCCF)c1ccc(c(c1)O)Br 1458a_100000689001_100011934791 [0,2,0,0,0,0|2,0,0]=4 7699 B14R1.941 O=C(CCCF)c1ccc(c(c1)O)Cl 1458a_100011933997_100011934791 [0,2,0,0,0,0|2,0,0]=4 7700 B14R1.941 O=C(CCCF)c1ccc(c(c1)O)F 1458a_100000035894_100011934791 [0,2,0,0,0,0|2,0,0]=4 7701 B14R1.941 O=C(CCCF)c1ccc(c(c1)O)I 1458a_100000239334_100011934791 [0,2,0,0,0,0|2,0,0]=4 7702 B14R1.941 O=C(CCCF)c1ccc(c(c1)O)O 1458a_100000212155_100011934791 [0,2,0,0,0,0|2,0,0]=4 7703 B14R1.941 O=C(CCCO)c1ccc(c(c1)Br)Br 1458a_100012339404_100011215043 [0,2,0,0,0,0|2,0,0]=4 7704 B14R1.941 O=C(CCCO)c1ccc(c(c1)Br)Cl 1458a_100000691181_100011215043 [0,2,0,0,0,0|2,0,0]=4 7705 B14R1.941 O=C(CCCO)c1ccc(c(c1)Br)F 1458a_100000760357_100011215043 [0,2,0,0,0,0|2,0,0]=4 7706 B14R1.941 O=C(CCCO)c1ccc(c(c1)Br)I 1458a_100000739115_100011215043 [0,2,0,0,0,0|2,0,0]=4 7707 B14R1.941 O=C(CCCO)c1ccc(c(c1)Br)O 1458a_100000189672_100011215043 [0,2,0,0,0,0|2,0,0]=4 7708 B14R1.941 O=C(CCCO)c1ccc(c(c1)Cl)Br 1458a_100000687082_100011215043 [0,2,0,0,0,0|2,0,0]=4 7709 B14R1.941 O=C(CCCO)c1ccc(c(c1)Cl)Cl 1458a_100000210401_100011215043 [0,2,0,0,0,0|2,0,0]=4 7710 B14R1.941 O=C(CCCO)c1ccc(c(c1)Cl)F 1458a_100000686462_100011215043 [0,2,0,0,0,0|2,0,0]=4 7711 B14R1.941 O=C(CCCO)c1ccc(c(c1)Cl)I 1458a_100000684831_100011215043 [0,2,0,0,0,0|2,0,0]=4 7712 B14R1.941 O=C(CCCO)c1ccc(c(c1)Cl)O 1458a_100000212196_100011215043 [0,2,0,0,0,0|2,0,0]=4 7713 B14R1.941 O=C(CCCO)c1ccc(c(c1)F)Br 1458a_100000743946_100011215043 [0,2,0,0,0,0|2,0,0]=4 7714 B14R1.941 O=C(CCCO)c1ccc(c(c1)F)Cl 1458a_100000743183_100011215043 [0,2,0,0,0,0|2,0,0]=4 7715 B14R1.941 O=C(CCCO)c1ccc(c(c1)F)F 1458a_100000209822_100011215043 [0,2,0,0,0,0|2,0,0]=4 7716 B14R1.941 O=C(CCCO)c1ccc(c(c1)F)I 1458a_100000062624_100011215043 [0,2,0,0,0,0|2,0,0]=4 7717 B14R1.941 O=C(CCCO)c1ccc(c(c1)F)O 1458a_100000185466_100011215043 [0,2,0,0,0,0|2,0,0]=4 7718 B14R1.941 O=C(CCCO)c1ccc(c(c1)I)Br 1458a_100012343876_100011215043 [0,2,0,0,0,0|2,0,0]=4 7719 B14R1.941 O=C(CCCO)c1ccc(c(c1)I)Cl 1458a_100000739381_100011215043 [0,2,0,0,0,0|2,0,0]=4 7720 B14R1.941 O=C(CCCO)c1ccc(c(c1)I)F 1458a_100000688015_100011215043 [0,2,0,0,0,0|2,0,0]=4 7721 B14R1.941 O=C(CCCO)c1ccc(c(c1)I)I 1458a_100000725830_100011215043 [0,2,0,0,0,0|2,0,0]=4 7722 B14R1.941 O=C(CCCO)c1ccc(c(c1)I)O 1458a_100000037485_100011215043 [0,2,0,0,0,0|2,0,0]=4 7723 B14R1.941 O=C(CCCO)c1ccc(c(c1)O)Br 1458a_100000689001_100011215043 [0,2,0,0,0,0|2,0,0]=4 7724 B14R1.941 O=C(CCCO)c1ccc(c(c1)O)Cl 1458a_100011933997_100011215043 [0,2,0,0,0,0|2,0,0]=4 7725 B14R1.941 O=C(CCCO)c1ccc(c(c1)O)F 1458a_100000035894_100011215043 [0,2,0,0,0,0|2,0,0]=4 7726 B14R1.941 O=C(CCCO)c1ccc(c(c1)O)I 1458a_100000239334_100011215043 [0,2,0,0,0,0|2,0,0]=4 7727 B14R1.941 O=C(CCCO)c1ccc(c(c1)O)O 1458a_100000212155_100011215043 [0,2,0,0,0,0|2,0,0]=4 7728 B14R1.941 O=C(NCCF)c1ccc(c(c1)Br)Br 11a_100000724931_100012339404 [0,2,0,0,0,0|2,0,0]=4 7729 B14R1.941 O=C(NCCF)c1ccc(c(c1)Br)Br 1626a_100000724931_100012339404 [0,2,0,0,0,0|2,0,0]=4 7730 B14R1.941 O=C(NCCF)c1ccc(c(c1)Br)Br 240690a_100000724931_100012339404 [0,2,0,0,0,0|2,0,0]=4 7731 B14R1.941 O=C(NCCF)c1ccc(c(c1)Br)Br 527a_100000724931_100012339404 [0,2,0,0,0,0|2,0,0]=4 7732 B14R1.941 O=C(NCCF)c1ccc(c(c1)Br)Cl 11a_100000724931_100000691181 [0,2,0,0,0,0|2,0,0]=4 7733 B14R1.941 O=C(NCCF)c1ccc(c(c1)Br)Cl 1626a_100000724931_100000691181 [0,2,0,0,0,0|2,0,0]=4 7734 B14R1.941 O=C(NCCF)c1ccc(c(c1)Br)Cl 240690a_100000724931_100000691181 [0,2,0,0,0,0|2,0,0]=4 7735 B14R1.941 O=C(NCCF)c1ccc(c(c1)Br)Cl 527a_100000724931_100000691181 [0,2,0,0,0,0|2,0,0]=4 7736 B14R1.941 O=C(NCCF)c1ccc(c(c1)Br)F 11a_100000724931_100000760357 [0,2,0,0,0,0|2,0,0]=4 7737 B14R1.941 O=C(NCCF)c1ccc(c(c1)Br)F 1626a_100000724931_100000760357 [0,2,0,0,0,0|2,0,0]=4 7738 B14R1.941 O=C(NCCF)c1ccc(c(c1)Br)F 240690a_100000724931_100000760357 [0,2,0,0,0,0|2,0,0]=4 7739 B14R1.941 O=C(NCCF)c1ccc(c(c1)Br)F 527a_100000724931_100000760357 [0,2,0,0,0,0|2,0,0]=4 7740 B14R1.941 O=C(NCCF)c1ccc(c(c1)Br)I 11a_100000724931_100000739115 [0,2,0,0,0,0|2,0,0]=4 7741 B14R1.941 O=C(NCCF)c1ccc(c(c1)Br)I 1626a_100000724931_100000739115 [0,2,0,0,0,0|2,0,0]=4 7742 B14R1.941 O=C(NCCF)c1ccc(c(c1)Br)I 240690a_100000724931_100000739115 [0,2,0,0,0,0|2,0,0]=4 7743 B14R1.941 O=C(NCCF)c1ccc(c(c1)Br)I 527a_100000724931_100000739115 [0,2,0,0,0,0|2,0,0]=4 7744 B14R1.941 O=C(NCCF)c1ccc(c(c1)Br)O 240690a_100000724931_100000189672 [0,2,0,0,0,0|2,0,0]=4 7745 B14R1.941 O=C(NCCF)c1ccc(c(c1)Cl)Br 11a_100000724931_100000687082 [0,2,0,0,0,0|2,0,0]=4 7746 B14R1.941 O=C(NCCF)c1ccc(c(c1)Cl)Br 1626a_100000724931_100000687082 [0,2,0,0,0,0|2,0,0]=4 7747 B14R1.941 O=C(NCCF)c1ccc(c(c1)Cl)Br 240690a_100000724931_100000687082 [0,2,0,0,0,0|2,0,0]=4 7748 B14R1.941 O=C(NCCF)c1ccc(c(c1)Cl)Br 527a_100000724931_100000687082 [0,2,0,0,0,0|2,0,0]=4 7749 B14R1.941 O=C(NCCF)c1ccc(c(c1)Cl)Cl 11a_100000724931_100000210401 [0,2,0,0,0,0|2,0,0]=4 7750 B14R1.941 O=C(NCCF)c1ccc(c(c1)Cl)Cl 1626a_100000724931_100000210401 [0,2,0,0,0,0|2,0,0]=4 7751 B14R1.941 O=C(NCCF)c1ccc(c(c1)Cl)Cl 240690a_100000724931_100000210401 [0,2,0,0,0,0|2,0,0]=4 7752 B14R1.941 O=C(NCCF)c1ccc(c(c1)Cl)Cl 527a_100000724931_100000210401 [0,2,0,0,0,0|2,0,0]=4 7753 B14R1.941 O=C(NCCF)c1ccc(c(c1)Cl)F 11a_100000724931_100000686462 [0,2,0,0,0,0|2,0,0]=4 7754 B14R1.941 O=C(NCCF)c1ccc(c(c1)Cl)F 1626a_100000724931_100000686462 [0,2,0,0,0,0|2,0,0]=4 7755 B14R1.941 O=C(NCCF)c1ccc(c(c1)Cl)F 240690a_100000724931_100000686462 [0,2,0,0,0,0|2,0,0]=4 7756 B14R1.941 O=C(NCCF)c1ccc(c(c1)Cl)F 527a_100000724931_100000686462 [0,2,0,0,0,0|2,0,0]=4 7757 B14R1.941 O=C(NCCF)c1ccc(c(c1)Cl)I 11a_100000724931_100000684831 [0,2,0,0,0,0|2,0,0]=4 7758 B14R1.941 O=C(NCCF)c1ccc(c(c1)Cl)I 1626a_100000724931_100000684831 [0,2,0,0,0,0|2,0,0]=4 7759 B14R1.941 O=C(NCCF)c1ccc(c(c1)Cl)I 240690a_100000724931_100000684831 [0,2,0,0,0,0|2,0,0]=4 7760 B14R1.941 O=C(NCCF)c1ccc(c(c1)Cl)I 527a_100000724931_100000684831 [0,2,0,0,0,0|2,0,0]=4 7761 B14R1.941 O=C(NCCF)c1ccc(c(c1)Cl)O 240690a_100000724931_100000212196 [0,2,0,0,0,0|2,0,0]=4 7762 B14R1.941 O=C(NCCF)c1ccc(c(c1)Cl)O 527a_100000724931_100000212196 [0,2,0,0,0,0|2,0,0]=4 7763 B14R1.941 O=C(NCCF)c1ccc(c(c1)F)Br 11a_100000724931_100000743946 [0,2,0,0,0,0|2,0,0]=4 7764 B14R1.941 O=C(NCCF)c1ccc(c(c1)F)Br 1626a_100000724931_100000743946 [0,2,0,0,0,0|2,0,0]=4 7765 B14R1.941 O=C(NCCF)c1ccc(c(c1)F)Br 240690a_100000724931_100000743946 [0,2,0,0,0,0|2,0,0]=4 7766 B14R1.941 O=C(NCCF)c1ccc(c(c1)F)Br 527a_100000724931_100000743946 [0,2,0,0,0,0|2,0,0]=4 7767 B14R1.941 O=C(NCCF)c1ccc(c(c1)F)Cl 11a_100000724931_100000743183 [0,2,0,0,0,0|2,0,0]=4 7768 B14R1.941 O=C(NCCF)c1ccc(c(c1)F)Cl 1626a_100000724931_100000743183 [0,2,0,0,0,0|2,0,0]=4 7769 B14R1.941 O=C(NCCF)c1ccc(c(c1)F)Cl 240690a_100000724931_100000743183 [0,2,0,0,0,0|2,0,0]=4 7770 B14R1.941 O=C(NCCF)c1ccc(c(c1)F)Cl 527a_100000724931_100000743183 [0,2,0,0,0,0|2,0,0]=4 7771 B14R1.941 O=C(NCCF)c1ccc(c(c1)F)F 11a_100000724931_100000209822 [0,2,0,0,0,0|2,0,0]=4 7772 B14R1.941 O=C(NCCF)c1ccc(c(c1)F)F 1626a_100000724931_100000209822 [0,2,0,0,0,0|2,0,0]=4 7773 B14R1.941 O=C(NCCF)c1ccc(c(c1)F)F 240690a_100000724931_100000209822 [0,2,0,0,0,0|2,0,0]=4 7774 B14R1.941 O=C(NCCF)c1ccc(c(c1)F)F 527a_100000724931_100000209822 [0,2,0,0,0,0|2,0,0]=4 7775 B14R1.941 O=C(NCCF)c1ccc(c(c1)F)I 11a_100000724931_100000062624 [0,2,0,0,0,0|2,0,0]=4 7776 B14R1.941 O=C(NCCF)c1ccc(c(c1)F)I 1626a_100000724931_100000062624 [0,2,0,0,0,0|2,0,0]=4 7777 B14R1.941 O=C(NCCF)c1ccc(c(c1)F)I 240690a_100000724931_100000062624 [0,2,0,0,0,0|2,0,0]=4 7778 B14R1.941 O=C(NCCF)c1ccc(c(c1)F)I 527a_100000724931_100000062624 [0,2,0,0,0,0|2,0,0]=4 7779 B14R1.941 O=C(NCCF)c1ccc(c(c1)F)O 240690a_100000724931_100000185466 [0,2,0,0,0,0|2,0,0]=4 7780 B14R1.941 O=C(NCCF)c1ccc(c(c1)F)O 527a_100000724931_100000185466 [0,2,0,0,0,0|2,0,0]=4 7781 B14R1.941 O=C(NCCF)c1ccc(c(c1)I)Br 11a_100000724931_100012343876 [0,2,0,0,0,0|2,0,0]=4 7782 B14R1.941 O=C(NCCF)c1ccc(c(c1)I)Br 1626a_100000724931_100012343876 [0,2,0,0,0,0|2,0,0]=4 7783 B14R1.941 O=C(NCCF)c1ccc(c(c1)I)Br 240690a_100000724931_100012343876 [0,2,0,0,0,0|2,0,0]=4 7784 B14R1.941 O=C(NCCF)c1ccc(c(c1)I)Br 527a_100000724931_100012343876 [0,2,0,0,0,0|2,0,0]=4 7785 B14R1.941 O=C(NCCF)c1ccc(c(c1)I)Cl 11a_100000724931_100000739381 [0,2,0,0,0,0|2,0,0]=4 7786 B14R1.941 O=C(NCCF)c1ccc(c(c1)I)Cl 1626a_100000724931_100000739381 [0,2,0,0,0,0|2,0,0]=4 7787 B14R1.941 O=C(NCCF)c1ccc(c(c1)I)Cl 240690a_100000724931_100000739381 [0,2,0,0,0,0|2,0,0]=4 7788 B14R1.941 O=C(NCCF)c1ccc(c(c1)I)Cl 527a_100000724931_100000739381 [0,2,0,0,0,0|2,0,0]=4 7789 B14R1.941 O=C(NCCF)c1ccc(c(c1)I)F 11a_100000724931_100000688015 [0,2,0,0,0,0|2,0,0]=4 7790 B14R1.941 O=C(NCCF)c1ccc(c(c1)I)F 1626a_100000724931_100000688015 [0,2,0,0,0,0|2,0,0]=4 7791 B14R1.941 O=C(NCCF)c1ccc(c(c1)I)F 240690a_100000724931_100000688015 [0,2,0,0,0,0|2,0,0]=4 7792 B14R1.941 O=C(NCCF)c1ccc(c(c1)I)F 527a_100000724931_100000688015 [0,2,0,0,0,0|2,0,0]=4 7793 B14R1.941 O=C(NCCF)c1ccc(c(c1)I)I 11a_100000724931_100000725830 [0,2,0,0,0,0|2,0,0]=4 7794 B14R1.941 O=C(NCCF)c1ccc(c(c1)I)I 1626a_100000724931_100000725830 [0,2,0,0,0,0|2,0,0]=4 7795 B14R1.941 O=C(NCCF)c1ccc(c(c1)I)I 240690a_100000724931_100000725830 [0,2,0,0,0,0|2,0,0]=4 7796 B14R1.941 O=C(NCCF)c1ccc(c(c1)I)I 527a_100000724931_100000725830 [0,2,0,0,0,0|2,0,0]=4 7797 B14R1.941 O=C(NCCF)c1ccc(c(c1)I)O 1626a_100000724931_100000037485 [0,2,0,0,0,0|2,0,0]=4 7798 B14R1.941 O=C(NCCF)c1ccc(c(c1)I)O 240690a_100000724931_100000037485 [0,2,0,0,0,0|2,0,0]=4 7799 B14R1.941 O=C(NCCF)c1ccc(c(c1)O)Br 240690a_100000724931_100000689001 [0,2,0,0,0,0|2,0,0]=4 7800 B14R1.941 O=C(NCCF)c1ccc(c(c1)O)Br 527a_100000724931_100000689001 [0,2,0,0,0,0|2,0,0]=4 7801 B14R1.941 O=C(NCCF)c1ccc(c(c1)O)Cl 240690a_100000724931_100011933997 [0,2,0,0,0,0|2,0,0]=4 7802 B14R1.941 O=C(NCCF)c1ccc(c(c1)O)Cl 527a_100000724931_100011933997 [0,2,0,0,0,0|2,0,0]=4 7803 B14R1.941 O=C(NCCF)c1ccc(c(c1)O)F 240690a_100000724931_100000035894 [0,2,0,0,0,0|2,0,0]=4 7804 B14R1.941 O=C(NCCF)c1ccc(c(c1)O)F 527a_100000724931_100000035894 [0,2,0,0,0,0|2,0,0]=4 7805 B14R1.941 O=C(NCCF)c1ccc(c(c1)O)I 1626a_100000724931_100000239334 [0,2,0,0,0,0|2,0,0]=4 7806 B14R1.941 O=C(NCCF)c1ccc(c(c1)O)I 240690a_100000724931_100000239334 [0,2,0,0,0,0|2,0,0]=4 7807 B14R1.941 O=C(NCCF)c1ccc(c(c1)O)I 527a_100000724931_100000239334 [0,2,0,0,0,0|2,0,0]=4 7808 B14R1.941 O=C(NCCO)c1ccc(c(c1)Br)Br 240690a_100000210304_100012339404 [0,2,0,0,0,0|2,0,0]=4 7809 B14R1.941 O=C(NCCO)c1ccc(c(c1)Br)Br 527a_100000210304_100012339404 [0,2,0,0,0,0|2,0,0]=4 7810 B14R1.941 O=C(NCCO)c1ccc(c(c1)Br)Cl 240690a_100000210304_100000691181 [0,2,0,0,0,0|2,0,0]=4 7811 B14R1.941 O=C(NCCO)c1ccc(c(c1)Br)Cl 527a_100000210304_100000691181 [0,2,0,0,0,0|2,0,0]=4 7812 B14R1.941 O=C(NCCO)c1ccc(c(c1)Br)F 240690a_100000210304_100000760357 [0,2,0,0,0,0|2,0,0]=4 7813 B14R1.941 O=C(NCCO)c1ccc(c(c1)Br)F 527a_100000210304_100000760357 [0,2,0,0,0,0|2,0,0]=4 7814 B14R1.941 O=C(NCCO)c1ccc(c(c1)Br)I 240690a_100000210304_100000739115 [0,2,0,0,0,0|2,0,0]=4 7815 B14R1.941 O=C(NCCO)c1ccc(c(c1)Br)I 527a_100000210304_100000739115 [0,2,0,0,0,0|2,0,0]=4 7816 B14R1.941 O=C(NCCO)c1ccc(c(c1)Br)O 240690a_100000210304_100000189672 [0,2,0,0,0,0|2,0,0]=4 7817 B14R1.941 O=C(NCCO)c1ccc(c(c1)Cl)Br 240690a_100000210304_100000687082 [0,2,0,0,0,0|2,0,0]=4 7818 B14R1.941 O=C(NCCO)c1ccc(c(c1)Cl)Br 527a_100000210304_100000687082 [0,2,0,0,0,0|2,0,0]=4 7819 B14R1.941 O=C(NCCO)c1ccc(c(c1)Cl)Cl 240690a_100000210304_100000210401 [0,2,0,0,0,0|2,0,0]=4 7820 B14R1.941 O=C(NCCO)c1ccc(c(c1)Cl)Cl 527a_100000210304_100000210401 [0,2,0,0,0,0|2,0,0]=4 7821 B14R1.941 O=C(NCCO)c1ccc(c(c1)Cl)F 240690a_100000210304_100000686462 [0,2,0,0,0,0|2,0,0]=4 7822 B14R1.941 O=C(NCCO)c1ccc(c(c1)Cl)F 527a_100000210304_100000686462 [0,2,0,0,0,0|2,0,0]=4 7823 B14R1.941 O=C(NCCO)c1ccc(c(c1)Cl)I 240690a_100000210304_100000684831 [0,2,0,0,0,0|2,0,0]=4 7824 B14R1.941 O=C(NCCO)c1ccc(c(c1)Cl)I 527a_100000210304_100000684831 [0,2,0,0,0,0|2,0,0]=4 7825 B14R1.941 O=C(NCCO)c1ccc(c(c1)Cl)O 240690a_100000210304_100000212196 [0,2,0,0,0,0|2,0,0]=4 7826 B14R1.941 O=C(NCCO)c1ccc(c(c1)Cl)O 527a_100000210304_100000212196 [0,2,0,0,0,0|2,0,0]=4 7827 B14R1.941 O=C(NCCO)c1ccc(c(c1)F)Br 240690a_100000210304_100000743946 [0,2,0,0,0,0|2,0,0]=4 7828 B14R1.941 O=C(NCCO)c1ccc(c(c1)F)Br 527a_100000210304_100000743946 [0,2,0,0,0,0|2,0,0]=4 7829 B14R1.941 O=C(NCCO)c1ccc(c(c1)F)Cl 240690a_100000210304_100000743183 [0,2,0,0,0,0|2,0,0]=4 7830 B14R1.941 O=C(NCCO)c1ccc(c(c1)F)Cl 527a_100000210304_100000743183 [0,2,0,0,0,0|2,0,0]=4 7831 B14R1.941 O=C(NCCO)c1ccc(c(c1)F)F 240690a_100000210304_100000209822 [0,2,0,0,0,0|2,0,0]=4 7832 B14R1.941 O=C(NCCO)c1ccc(c(c1)F)F 527a_100000210304_100000209822 [0,2,0,0,0,0|2,0,0]=4 7833 B14R1.941 O=C(NCCO)c1ccc(c(c1)F)I 240690a_100000210304_100000062624 [0,2,0,0,0,0|2,0,0]=4 7834 B14R1.941 O=C(NCCO)c1ccc(c(c1)F)I 527a_100000210304_100000062624 [0,2,0,0,0,0|2,0,0]=4 7835 B14R1.941 O=C(NCCO)c1ccc(c(c1)F)O 240690a_100000210304_100000185466 [0,2,0,0,0,0|2,0,0]=4 7836 B14R1.941 O=C(NCCO)c1ccc(c(c1)F)O 527a_100000210304_100000185466 [0,2,0,0,0,0|2,0,0]=4 7837 B14R1.941 O=C(NCCO)c1ccc(c(c1)I)Br 240690a_100000210304_100012343876 [0,2,0,0,0,0|2,0,0]=4 7838 B14R1.941 O=C(NCCO)c1ccc(c(c1)I)Br 527a_100000210304_100012343876 [0,2,0,0,0,0|2,0,0]=4 7839 B14R1.941 O=C(NCCO)c1ccc(c(c1)I)Cl 240690a_100000210304_100000739381 [0,2,0,0,0,0|2,0,0]=4 7840 B14R1.941 O=C(NCCO)c1ccc(c(c1)I)Cl 527a_100000210304_100000739381 [0,2,0,0,0,0|2,0,0]=4 7841 B14R1.941 O=C(NCCO)c1ccc(c(c1)I)F 240690a_100000210304_100000688015 [0,2,0,0,0,0|2,0,0]=4 7842 B14R1.941 O=C(NCCO)c1ccc(c(c1)I)F 527a_100000210304_100000688015 [0,2,0,0,0,0|2,0,0]=4 7843 B14R1.941 O=C(NCCO)c1ccc(c(c1)I)I 240690a_100000210304_100000725830 [0,2,0,0,0,0|2,0,0]=4 7844 B14R1.941 O=C(NCCO)c1ccc(c(c1)I)I 527a_100000210304_100000725830 [0,2,0,0,0,0|2,0,0]=4 7845 B14R1.941 O=C(NCCO)c1ccc(c(c1)I)O 240690a_100000210304_100000037485 [0,2,0,0,0,0|2,0,0]=4 7846 B14R1.941 O=C(NCCO)c1ccc(c(c1)O)Br 240690a_100000210304_100000689001 [0,2,0,0,0,0|2,0,0]=4 7847 B14R1.941 O=C(NCCO)c1ccc(c(c1)O)Br 527a_100000210304_100000689001 [0,2,0,0,0,0|2,0,0]=4 7848 B14R1.941 O=C(NCCO)c1ccc(c(c1)O)Cl 240690a_100000210304_100011933997 [0,2,0,0,0,0|2,0,0]=4 7849 B14R1.941 O=C(NCCO)c1ccc(c(c1)O)Cl 527a_100000210304_100011933997 [0,2,0,0,0,0|2,0,0]=4 7850 B14R1.941 O=C(NCCO)c1ccc(c(c1)O)F 240690a_100000210304_100000035894 [0,2,0,0,0,0|2,0,0]=4 7851 B14R1.941 O=C(NCCO)c1ccc(c(c1)O)F 527a_100000210304_100000035894 [0,2,0,0,0,0|2,0,0]=4 7852 B14R1.941 O=C(NCCO)c1ccc(c(c1)O)I 240690a_100000210304_100000239334 [0,2,0,0,0,0|2,0,0]=4 7853 B14R1.941 O=C(NCCO)c1ccc(c(c1)O)I 527a_100000210304_100000239334 [0,2,0,0,0,0|2,0,0]=4 7854 B14R1.941 [13CH3]SCCC(=O)c1ccc(c(c1)Cl)Cl 62a_100012356702_200025704644 [0,2,0,0,0,0|2,0,0]=4 7855 B14R1.941 [13CH3]SCCC(=O)c1ccc(c(c1)Cl)Cl 62a_200025704644_100012356702 [0,2,0,0,0,0|2,0,0]=4 7856 B14R1.2523 CCCCC(=O)c1ccc(cc1Br)Br 1458a_100000762965_100000210211 [0,2,0,0,0,0|1,0,0]=3 7857 B14R1.2523 CCCCC(=O)c1ccc(cc1Br)C 1458a_100000685072_100000210211 [0,2,0,0,0,0|1,0,0]=3 7858 B14R1.2523 CCCCC(=O)c1ccc(cc1Br)Cl 1458a_100000766353_100000210211 [0,2,0,0,0,0|1,0,0]=3 7859 B14R1.2523 CCCCC(=O)c1ccc(cc1Br)F 1458a_100000212304_100000210211 [0,2,0,0,0,0|1,0,0]=3 7860 B14R1.2523 CCCCC(=O)c1ccc(cc1Br)I 1458a_100012360512_100000210211 [0,2,0,0,0,0|1,0,0]=3 7861 B14R1.2523 CCCCC(=O)c1ccc(cc1Br)O 1458a_100012344906_100000210211 [0,2,0,0,0,0|1,0,0]=3 7862 B14R1.2523 CCCCC(=O)c1ccc(cc1C)Br 1458a_100000741311_100000210211 [0,2,0,0,0,0|1,0,0]=3 7863 B14R1.2523 CCCCC(=O)c1ccc(cc1C)C 1458a_100000211164_100000210211 [0,2,0,0,0,0|1,0,0]=3 7864 B14R1.2523 CCCCC(=O)c1ccc(cc1C)Cl 1458a_100000688705_100000210211 [0,2,0,0,0,0|1,0,0]=3 7865 B14R1.2523 CCCCC(=O)c1ccc(cc1C)F 1458a_100000686989_100000210211 [0,2,0,0,0,0|1,0,0]=3 7866 B14R1.2523 CCCCC(=O)c1ccc(cc1C)I 1458a_100010189873_100000210211 [0,2,0,0,0,0|1,0,0]=3 7867 B14R1.2523 CCCCC(=O)c1ccc(cc1C)O 1458a_100000692822_100000210211 [0,2,0,0,0,0|1,0,0]=3 7868 B14R1.2523 CCCCC(=O)c1ccc(cc1Cl)Br 1458a_100000741628_100000210211 [0,2,0,0,0,0|1,0,0]=3 7869 B14R1.2523 CCCCC(=O)c1ccc(cc1Cl)C 1458a_100000766932_100000210211 [0,2,0,0,0,0|1,0,0]=3 7870 B14R1.2523 CCCCC(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_100000210211 [0,2,0,0,0,0|1,0,0]=3 7871 B14R1.2523 CCCCC(=O)c1ccc(cc1Cl)F 1458a_100000211397_100000210211 [0,2,0,0,0,0|1,0,0]=3 7872 B14R1.2523 CCCCC(=O)c1ccc(cc1Cl)I 1458a_100000751301_100000210211 [0,2,0,0,0,0|1,0,0]=3 7873 B14R1.2523 CCCCC(=O)c1ccc(cc1Cl)O 1458a_100000702456_100000210211 [0,2,0,0,0,0|1,0,0]=3 7874 B14R1.2523 CCCCC(=O)c1ccc(cc1F)Br 1458a_100000214689_100000210211 [0,2,0,0,0,0|1,0,0]=3 7875 B14R1.2523 CCCCC(=O)c1ccc(cc1F)C 1458a_100000766033_100000210211 [0,2,0,0,0,0|1,0,0]=3 7876 B14R1.2523 CCCCC(=O)c1ccc(cc1F)Cl 1458a_100000212326_100000210211 [0,2,0,0,0,0|1,0,0]=3 7877 B14R1.2523 CCCCC(=O)c1ccc(cc1F)F 1458a_100000211022_100000210211 [0,2,0,0,0,0|1,0,0]=3 7878 B14R1.2523 CCCCC(=O)c1ccc(cc1F)I 1458a_100000037189_100000210211 [0,2,0,0,0,0|1,0,0]=3 7879 B14R1.2523 CCCCC(=O)c1ccc(cc1F)O 1458a_100000689029_100000210211 [0,2,0,0,0,0|1,0,0]=3 7880 B14R1.2523 CCCCC(=O)c1ccc(cc1I)Br 1458a_100000751167_100000210211 [0,2,0,0,0,0|1,0,0]=3 7881 B14R1.2523 CCCCC(=O)c1ccc(cc1I)C 1458a_100009999607_100000210211 [0,2,0,0,0,0|1,0,0]=3 7882 B14R1.2523 CCCCC(=O)c1ccc(cc1I)Cl 1458a_100000739380_100000210211 [0,2,0,0,0,0|1,0,0]=3 7883 B14R1.2523 CCCCC(=O)c1ccc(cc1I)F 1458a_100000739341_100000210211 [0,2,0,0,0,0|1,0,0]=3 7884 B14R1.2523 CCCCC(=O)c1ccc(cc1O)Br 1458a_100000744433_100000210211 [0,2,0,0,0,0|1,0,0]=3 7885 B14R1.2523 CCCCC(=O)c1ccc(cc1O)C 1458a_100000212137_100000210211 [0,2,0,0,0,0|1,0,0]=3 7886 B14R1.2523 CCCCC(=O)c1ccc(cc1O)Cl 1458a_100000188622_100000210211 [0,2,0,0,0,0|1,0,0]=3 7887 B14R1.2523 CCCCC(=O)c1ccc(cc1O)F 1458a_100000746061_100000210211 [0,2,0,0,0,0|1,0,0]=3 7888 B14R1.2523 CCCCC(=O)c1ccc(cc1O)I 1458a_100000091984_100000210211 [0,2,0,0,0,0|1,0,0]=3 7889 B14R1.2523 CCCCC(=O)c1ccc(cc1O)O 1458a_100000212172_100000210211 [0,2,0,0,0,0|1,0,0]=3 7890 B14R1.2523 CCCNC(=O)c1ccc(cc1Br)Br 11a_100020643023_100000762965 [0,2,0,0,0,0|1,0,0]=3 7891 B14R1.2523 CCCNC(=O)c1ccc(cc1Br)Br 1626a_100020643023_100000762965 [0,2,0,0,0,0|1,0,0]=3 7892 B14R1.2523 CCCNC(=O)c1ccc(cc1Br)Br 240690a_100020643023_100000762965 [0,2,0,0,0,0|1,0,0]=3 7893 B14R1.2523 CCCNC(=O)c1ccc(cc1Br)Br 527a_100020643023_100000762965 [0,2,0,0,0,0|1,0,0]=3 7894 B14R1.2523 CCCNC(=O)c1ccc(cc1Br)C 11a_100020643023_100000685072 [0,2,0,0,0,0|1,0,0]=3 7895 B14R1.2523 CCCNC(=O)c1ccc(cc1Br)C 1626a_100020643023_100000685072 [0,2,0,0,0,0|1,0,0]=3 7896 B14R1.2523 CCCNC(=O)c1ccc(cc1Br)C 240690a_100020643023_100000685072 [0,2,0,0,0,0|1,0,0]=3 7897 B14R1.2523 CCCNC(=O)c1ccc(cc1Br)C 527a_100020643023_100000685072 [0,2,0,0,0,0|1,0,0]=3 7898 B14R1.2523 CCCNC(=O)c1ccc(cc1Br)Cl 11a_100020643023_100000766353 [0,2,0,0,0,0|1,0,0]=3 7899 B14R1.2523 CCCNC(=O)c1ccc(cc1Br)Cl 1626a_100020643023_100000766353 [0,2,0,0,0,0|1,0,0]=3 7900 B14R1.2523 CCCNC(=O)c1ccc(cc1Br)Cl 240690a_100020643023_100000766353 [0,2,0,0,0,0|1,0,0]=3 7901 B14R1.2523 CCCNC(=O)c1ccc(cc1Br)Cl 527a_100020643023_100000766353 [0,2,0,0,0,0|1,0,0]=3 7902 B14R1.2523 CCCNC(=O)c1ccc(cc1Br)F 11a_100020643023_100000212304 [0,2,0,0,0,0|1,0,0]=3 7903 B14R1.2523 CCCNC(=O)c1ccc(cc1Br)F 1626a_100020643023_100000212304 [0,2,0,0,0,0|1,0,0]=3 7904 B14R1.2523 CCCNC(=O)c1ccc(cc1Br)F 240690a_100020643023_100000212304 [0,2,0,0,0,0|1,0,0]=3 7905 B14R1.2523 CCCNC(=O)c1ccc(cc1Br)F 527a_100020643023_100000212304 [0,2,0,0,0,0|1,0,0]=3 7906 B14R1.2523 CCCNC(=O)c1ccc(cc1Br)I 11a_100020643023_100012360512 [0,2,0,0,0,0|1,0,0]=3 7907 B14R1.2523 CCCNC(=O)c1ccc(cc1Br)I 1626a_100020643023_100012360512 [0,2,0,0,0,0|1,0,0]=3 7908 B14R1.2523 CCCNC(=O)c1ccc(cc1Br)I 240690a_100020643023_100012360512 [0,2,0,0,0,0|1,0,0]=3 7909 B14R1.2523 CCCNC(=O)c1ccc(cc1Br)I 527a_100020643023_100012360512 [0,2,0,0,0,0|1,0,0]=3 7910 B14R1.2523 CCCNC(=O)c1ccc(cc1Br)O 240690a_100020643023_100012344906 [0,2,0,0,0,0|1,0,0]=3 7911 B14R1.2523 CCCNC(=O)c1ccc(cc1Br)O 527a_100020643023_100012344906 [0,2,0,0,0,0|1,0,0]=3 7912 B14R1.2523 CCCNC(=O)c1ccc(cc1C)Br 11a_100020643023_100000741311 [0,2,0,0,0,0|1,0,0]=3 7913 B14R1.2523 CCCNC(=O)c1ccc(cc1C)Br 1626a_100020643023_100000741311 [0,2,0,0,0,0|1,0,0]=3 7914 B14R1.2523 CCCNC(=O)c1ccc(cc1C)Br 240690a_100020643023_100000741311 [0,2,0,0,0,0|1,0,0]=3 7915 B14R1.2523 CCCNC(=O)c1ccc(cc1C)Br 527a_100020643023_100000741311 [0,2,0,0,0,0|1,0,0]=3 7916 B14R1.2523 CCCNC(=O)c1ccc(cc1C)C 11a_100020643023_100000211164 [0,2,0,0,0,0|1,0,0]=3 7917 B14R1.2523 CCCNC(=O)c1ccc(cc1C)C 1626a_100020643023_100000211164 [0,2,0,0,0,0|1,0,0]=3 7918 B14R1.2523 CCCNC(=O)c1ccc(cc1C)C 240690a_100020643023_100000211164 [0,2,0,0,0,0|1,0,0]=3 7919 B14R1.2523 CCCNC(=O)c1ccc(cc1C)C 527a_100020643023_100000211164 [0,2,0,0,0,0|1,0,0]=3 7920 B14R1.2523 CCCNC(=O)c1ccc(cc1C)Cl 11a_100020643023_100000688705 [0,2,0,0,0,0|1,0,0]=3 7921 B14R1.2523 CCCNC(=O)c1ccc(cc1C)Cl 1626a_100020643023_100000688705 [0,2,0,0,0,0|1,0,0]=3 7922 B14R1.2523 CCCNC(=O)c1ccc(cc1C)Cl 240690a_100020643023_100000688705 [0,2,0,0,0,0|1,0,0]=3 7923 B14R1.2523 CCCNC(=O)c1ccc(cc1C)Cl 527a_100020643023_100000688705 [0,2,0,0,0,0|1,0,0]=3 7924 B14R1.2523 CCCNC(=O)c1ccc(cc1C)F 11a_100020643023_100000686989 [0,2,0,0,0,0|1,0,0]=3 7925 B14R1.2523 CCCNC(=O)c1ccc(cc1C)F 1626a_100020643023_100000686989 [0,2,0,0,0,0|1,0,0]=3 7926 B14R1.2523 CCCNC(=O)c1ccc(cc1C)F 240690a_100020643023_100000686989 [0,2,0,0,0,0|1,0,0]=3 7927 B14R1.2523 CCCNC(=O)c1ccc(cc1C)F 527a_100020643023_100000686989 [0,2,0,0,0,0|1,0,0]=3 7928 B14R1.2523 CCCNC(=O)c1ccc(cc1C)I 11a_100020643023_100010189873 [0,2,0,0,0,0|1,0,0]=3 7929 B14R1.2523 CCCNC(=O)c1ccc(cc1C)I 1626a_100020643023_100010189873 [0,2,0,0,0,0|1,0,0]=3 7930 B14R1.2523 CCCNC(=O)c1ccc(cc1C)I 240690a_100020643023_100010189873 [0,2,0,0,0,0|1,0,0]=3 7931 B14R1.2523 CCCNC(=O)c1ccc(cc1C)I 527a_100020643023_100010189873 [0,2,0,0,0,0|1,0,0]=3 7932 B14R1.2523 CCCNC(=O)c1ccc(cc1C)O 240690a_100020643023_100000692822 [0,2,0,0,0,0|1,0,0]=3 7933 B14R1.2523 CCCNC(=O)c1ccc(cc1C)O 527a_100020643023_100000692822 [0,2,0,0,0,0|1,0,0]=3 7934 B14R1.2523 CCCNC(=O)c1ccc(cc1Cl)Br 11a_100020643023_100000741628 [0,2,0,0,0,0|1,0,0]=3 7935 B14R1.2523 CCCNC(=O)c1ccc(cc1Cl)Br 1626a_100020643023_100000741628 [0,2,0,0,0,0|1,0,0]=3 7936 B14R1.2523 CCCNC(=O)c1ccc(cc1Cl)Br 240690a_100020643023_100000741628 [0,2,0,0,0,0|1,0,0]=3 7937 B14R1.2523 CCCNC(=O)c1ccc(cc1Cl)Br 527a_100020643023_100000741628 [0,2,0,0,0,0|1,0,0]=3 7938 B14R1.2523 CCCNC(=O)c1ccc(cc1Cl)C 11a_100020643023_100000766932 [0,2,0,0,0,0|1,0,0]=3 7939 B14R1.2523 CCCNC(=O)c1ccc(cc1Cl)C 1626a_100020643023_100000766932 [0,2,0,0,0,0|1,0,0]=3 7940 B14R1.2523 CCCNC(=O)c1ccc(cc1Cl)C 240690a_100020643023_100000766932 [0,2,0,0,0,0|1,0,0]=3 7941 B14R1.2523 CCCNC(=O)c1ccc(cc1Cl)C 527a_100020643023_100000766932 [0,2,0,0,0,0|1,0,0]=3 7942 B14R1.2523 CCCNC(=O)c1ccc(cc1Cl)Cl 11a_100020643023_100000185840 [0,2,0,0,0,0|1,0,0]=3 7943 B14R1.2523 CCCNC(=O)c1ccc(cc1Cl)Cl 1626a_100020643023_100000185840 [0,2,0,0,0,0|1,0,0]=3 7944 B14R1.2523 CCCNC(=O)c1ccc(cc1Cl)Cl 240690a_100020643023_100000185840 [0,2,0,0,0,0|1,0,0]=3 7945 B14R1.2523 CCCNC(=O)c1ccc(cc1Cl)Cl 527a_100020643023_100000185840 [0,2,0,0,0,0|1,0,0]=3 7946 B14R1.2523 CCCNC(=O)c1ccc(cc1Cl)F 11a_100020643023_100000211397 [0,2,0,0,0,0|1,0,0]=3 7947 B14R1.2523 CCCNC(=O)c1ccc(cc1Cl)F 1626a_100020643023_100000211397 [0,2,0,0,0,0|1,0,0]=3 7948 B14R1.2523 CCCNC(=O)c1ccc(cc1Cl)F 240690a_100020643023_100000211397 [0,2,0,0,0,0|1,0,0]=3 7949 B14R1.2523 CCCNC(=O)c1ccc(cc1Cl)F 527a_100020643023_100000211397 [0,2,0,0,0,0|1,0,0]=3 7950 B14R1.2523 CCCNC(=O)c1ccc(cc1Cl)I 11a_100020643023_100000751301 [0,2,0,0,0,0|1,0,0]=3 7951 B14R1.2523 CCCNC(=O)c1ccc(cc1Cl)I 1626a_100020643023_100000751301 [0,2,0,0,0,0|1,0,0]=3 7952 B14R1.2523 CCCNC(=O)c1ccc(cc1Cl)I 240690a_100020643023_100000751301 [0,2,0,0,0,0|1,0,0]=3 7953 B14R1.2523 CCCNC(=O)c1ccc(cc1Cl)I 527a_100020643023_100000751301 [0,2,0,0,0,0|1,0,0]=3 7954 B14R1.2523 CCCNC(=O)c1ccc(cc1Cl)O 240690a_100020643023_100000702456 [0,2,0,0,0,0|1,0,0]=3 7955 B14R1.2523 CCCNC(=O)c1ccc(cc1Cl)O 527a_100020643023_100000702456 [0,2,0,0,0,0|1,0,0]=3 7956 B14R1.2523 CCCNC(=O)c1ccc(cc1F)Br 11a_100020643023_100000214689 [0,2,0,0,0,0|1,0,0]=3 7957 B14R1.2523 CCCNC(=O)c1ccc(cc1F)Br 1626a_100020643023_100000214689 [0,2,0,0,0,0|1,0,0]=3 7958 B14R1.2523 CCCNC(=O)c1ccc(cc1F)Br 240690a_100020643023_100000214689 [0,2,0,0,0,0|1,0,0]=3 7959 B14R1.2523 CCCNC(=O)c1ccc(cc1F)Br 527a_100020643023_100000214689 [0,2,0,0,0,0|1,0,0]=3 7960 B14R1.2523 CCCNC(=O)c1ccc(cc1F)C 11a_100020643023_100000766033 [0,2,0,0,0,0|1,0,0]=3 7961 B14R1.2523 CCCNC(=O)c1ccc(cc1F)C 1626a_100020643023_100000766033 [0,2,0,0,0,0|1,0,0]=3 7962 B14R1.2523 CCCNC(=O)c1ccc(cc1F)C 240690a_100020643023_100000766033 [0,2,0,0,0,0|1,0,0]=3 7963 B14R1.2523 CCCNC(=O)c1ccc(cc1F)C 527a_100020643023_100000766033 [0,2,0,0,0,0|1,0,0]=3 7964 B14R1.2523 CCCNC(=O)c1ccc(cc1F)Cl 11a_100020643023_100000212326 [0,2,0,0,0,0|1,0,0]=3 7965 B14R1.2523 CCCNC(=O)c1ccc(cc1F)Cl 1626a_100020643023_100000212326 [0,2,0,0,0,0|1,0,0]=3 7966 B14R1.2523 CCCNC(=O)c1ccc(cc1F)Cl 240690a_100020643023_100000212326 [0,2,0,0,0,0|1,0,0]=3 7967 B14R1.2523 CCCNC(=O)c1ccc(cc1F)Cl 527a_100020643023_100000212326 [0,2,0,0,0,0|1,0,0]=3 7968 B14R1.2523 CCCNC(=O)c1ccc(cc1F)F 11a_100020643023_100000211022 [0,2,0,0,0,0|1,0,0]=3 7969 B14R1.2523 CCCNC(=O)c1ccc(cc1F)F 1626a_100020643023_100000211022 [0,2,0,0,0,0|1,0,0]=3 7970 B14R1.2523 CCCNC(=O)c1ccc(cc1F)F 240690a_100020643023_100000211022 [0,2,0,0,0,0|1,0,0]=3 7971 B14R1.2523 CCCNC(=O)c1ccc(cc1F)F 527a_100020643023_100000211022 [0,2,0,0,0,0|1,0,0]=3 7972 B14R1.2523 CCCNC(=O)c1ccc(cc1F)I 11a_100020643023_100000037189 [0,2,0,0,0,0|1,0,0]=3 7973 B14R1.2523 CCCNC(=O)c1ccc(cc1F)I 1626a_100020643023_100000037189 [0,2,0,0,0,0|1,0,0]=3 7974 B14R1.2523 CCCNC(=O)c1ccc(cc1F)I 240690a_100020643023_100000037189 [0,2,0,0,0,0|1,0,0]=3 7975 B14R1.2523 CCCNC(=O)c1ccc(cc1F)I 527a_100020643023_100000037189 [0,2,0,0,0,0|1,0,0]=3 7976 B14R1.2523 CCCNC(=O)c1ccc(cc1F)O 240690a_100020643023_100000689029 [0,2,0,0,0,0|1,0,0]=3 7977 B14R1.2523 CCCNC(=O)c1ccc(cc1F)O 271570a_203496583355_200000215516 [0,2,0,0,0,0|1,0,0]=3 7978 B14R1.2523 CCCNC(=O)c1ccc(cc1F)O 527a_100020643023_100000689029 [0,2,0,0,0,0|1,0,0]=3 7979 B14R1.2523 CCCNC(=O)c1ccc(cc1I)Br 11a_100020643023_100000751167 [0,2,0,0,0,0|1,0,0]=3 7980 B14R1.2523 CCCNC(=O)c1ccc(cc1I)Br 1626a_100020643023_100000751167 [0,2,0,0,0,0|1,0,0]=3 7981 B14R1.2523 CCCNC(=O)c1ccc(cc1I)Br 240690a_100020643023_100000751167 [0,2,0,0,0,0|1,0,0]=3 7982 B14R1.2523 CCCNC(=O)c1ccc(cc1I)Br 527a_100020643023_100000751167 [0,2,0,0,0,0|1,0,0]=3 7983 B14R1.2523 CCCNC(=O)c1ccc(cc1I)C 11a_100020643023_100009999607 [0,2,0,0,0,0|1,0,0]=3 7984 B14R1.2523 CCCNC(=O)c1ccc(cc1I)C 1626a_100020643023_100009999607 [0,2,0,0,0,0|1,0,0]=3 7985 B14R1.2523 CCCNC(=O)c1ccc(cc1I)C 240690a_100020643023_100009999607 [0,2,0,0,0,0|1,0,0]=3 7986 B14R1.2523 CCCNC(=O)c1ccc(cc1I)C 527a_100020643023_100009999607 [0,2,0,0,0,0|1,0,0]=3 7987 B14R1.2523 CCCNC(=O)c1ccc(cc1I)Cl 11a_100020643023_100000739380 [0,2,0,0,0,0|1,0,0]=3 7988 B14R1.2523 CCCNC(=O)c1ccc(cc1I)Cl 1626a_100020643023_100000739380 [0,2,0,0,0,0|1,0,0]=3 7989 B14R1.2523 CCCNC(=O)c1ccc(cc1I)Cl 240690a_100020643023_100000739380 [0,2,0,0,0,0|1,0,0]=3 7990 B14R1.2523 CCCNC(=O)c1ccc(cc1I)Cl 527a_100020643023_100000739380 [0,2,0,0,0,0|1,0,0]=3 7991 B14R1.2523 CCCNC(=O)c1ccc(cc1I)F 11a_100020643023_100000739341 [0,2,0,0,0,0|1,0,0]=3 7992 B14R1.2523 CCCNC(=O)c1ccc(cc1I)F 1626a_100020643023_100000739341 [0,2,0,0,0,0|1,0,0]=3 7993 B14R1.2523 CCCNC(=O)c1ccc(cc1I)F 240690a_100020643023_100000739341 [0,2,0,0,0,0|1,0,0]=3 7994 B14R1.2523 CCCNC(=O)c1ccc(cc1I)F 527a_100020643023_100000739341 [0,2,0,0,0,0|1,0,0]=3 7995 B14R1.2523 CCCNC(=O)c1ccc(cc1O)Br 240690a_100020643023_100000744433 [0,2,0,0,0,0|1,0,0]=3 7996 B14R1.2523 CCCNC(=O)c1ccc(cc1O)Br 527a_100020643023_100000744433 [0,2,0,0,0,0|1,0,0]=3 7997 B14R1.2523 CCCNC(=O)c1ccc(cc1O)C 1626a_100020643023_100000212137 [0,2,0,0,0,0|1,0,0]=3 7998 B14R1.2523 CCCNC(=O)c1ccc(cc1O)C 240690a_100020643023_100000212137 [0,2,0,0,0,0|1,0,0]=3 7999 B14R1.2523 CCCNC(=O)c1ccc(cc1O)C 527a_100020643023_100000212137 [0,2,0,0,0,0|1,0,0]=3 8000 B14R1.2523 CCCNC(=O)c1ccc(cc1O)Cl 11a_100020643023_100000188622 [0,2,0,0,0,0|1,0,0]=3 8001 B14R1.2523 CCCNC(=O)c1ccc(cc1O)Cl 240690a_100020643023_100000188622 [0,2,0,0,0,0|1,0,0]=3 8002 B14R1.2523 CCCNC(=O)c1ccc(cc1O)Cl 527a_100020643023_100000188622 [0,2,0,0,0,0|1,0,0]=3 8003 B14R1.2523 CCCNC(=O)c1ccc(cc1O)F 240690a_100020643023_100000746061 [0,2,0,0,0,0|1,0,0]=3 8004 B14R1.2523 CCCNC(=O)c1ccc(cc1O)F 527a_100020643023_100000746061 [0,2,0,0,0,0|1,0,0]=3 8005 B14R1.2523 CCCNC(=O)c1ccc(cc1O)I 240690a_100020643023_100000091984 [0,2,0,0,0,0|1,0,0]=3 8006 B14R1.2523 CCCNC(=O)c1ccc(cc1O)I 527a_100020643023_100000091984 [0,2,0,0,0,0|1,0,0]=3 8007 B14R1.2523 CCCOC(C)c1ccc(cc1C)C 34a_100000246504_100000210303 [0,2,0,0,0,0|1,0,1]=4 8008 B14R1.2523 CCCOC(C)c1ccc(cc1C)C 7a_100000246504_100000210303 [0,2,0,0,0,0|1,0,1]=4 8009 B14R1.2523 CCCOC(C)c1ccc(cc1Cl)Cl 34a_100000743050_100000210303 [0,2,0,0,0,0|1,0,1]=4 8010 B14R1.2523 CCCOC(C)c1ccc(cc1Cl)Cl 7a_100000743050_100000210303 [0,2,0,0,0,0|1,0,1]=4 8011 B14R1.2523 CCCOC(C)c1ccc(cc1Cl)F 34a_200011245020_100000210303 [0,2,0,0,0,0|1,0,1]=4 8012 B14R1.2523 CCCOC(C)c1ccc(cc1Cl)F 7a_200011245020_100000210303 [0,2,0,0,0,0|1,0,1]=4 8013 B14R1.2523 CCCOC(C)c1ccc(cc1F)Cl 34a_200011805215_100000210303 [0,2,0,0,0,0|1,0,1]=4 8014 B14R1.2523 CCCOC(C)c1ccc(cc1F)Cl 7a_200011805215_100000210303 [0,2,0,0,0,0|1,0,1]=4 8015 B14R1.2523 CCCOC(C)c1ccc(cc1F)F 34a_200000246518_100000210303 [0,2,0,0,0,0|1,0,1]=4 8016 B14R1.2523 CCCOC(C)c1ccc(cc1F)F 7a_200000246518_100000210303 [0,2,0,0,0,0|1,0,1]=4 8017 B14R1.2523 CCNCC(=O)c1ccc(cc1C)C 2230a_100015525214_100000229959 [0,2,0,0,0,0|2,0,0]=4 8018 B14R1.2523 CCNCC(=O)c1ccc(cc1Cl)Cl 2230a_100015525214_100011218845 [0,2,0,0,0,0|2,0,0]=4 8019 B14R1.2523 CCNCC(=O)c1ccc(cc1Cl)F 2230a_100015525214_100012056422 [0,2,0,0,0,0|2,0,0]=4 8020 B14R1.2523 CCNNC(=O)c1ccc(cc1Br)Br 22a_100000756455_100000762965 [0,2,0,0,0,0|2,0,0]=4 8021 B14R1.2523 CCNNC(=O)c1ccc(cc1Br)C 22a_100000756455_100000685072 [0,2,0,0,0,0|2,0,0]=4 8022 B14R1.2523 CCNNC(=O)c1ccc(cc1Br)Cl 22a_100000756455_100000766353 [0,2,0,0,0,0|2,0,0]=4 8023 B14R1.2523 CCNNC(=O)c1ccc(cc1Br)F 22a_100000756455_100000212304 [0,2,0,0,0,0|2,0,0]=4 8024 B14R1.2523 CCNNC(=O)c1ccc(cc1Br)I 22a_100000756455_100012360512 [0,2,0,0,0,0|2,0,0]=4 8025 B14R1.2523 CCNNC(=O)c1ccc(cc1Br)O 22a_100000756455_100012344906 [0,2,0,0,0,0|2,0,0]=4 8026 B14R1.2523 CCNNC(=O)c1ccc(cc1C)Br 22a_100000756455_100000741311 [0,2,0,0,0,0|2,0,0]=4 8027 B14R1.2523 CCNNC(=O)c1ccc(cc1C)C 22a_100000756455_100000211164 [0,2,0,0,0,0|2,0,0]=4 8028 B14R1.2523 CCNNC(=O)c1ccc(cc1C)Cl 22a_100000756455_100000688705 [0,2,0,0,0,0|2,0,0]=4 8029 B14R1.2523 CCNNC(=O)c1ccc(cc1C)F 22a_100000756455_100000686989 [0,2,0,0,0,0|2,0,0]=4 8030 B14R1.2523 CCNNC(=O)c1ccc(cc1C)I 22a_100000756455_100010189873 [0,2,0,0,0,0|2,0,0]=4 8031 B14R1.2523 CCNNC(=O)c1ccc(cc1Cl)Br 22a_100000756455_100000741628 [0,2,0,0,0,0|2,0,0]=4 8032 B14R1.2523 CCNNC(=O)c1ccc(cc1Cl)C 22a_100000756455_100000766932 [0,2,0,0,0,0|2,0,0]=4 8033 B14R1.2523 CCNNC(=O)c1ccc(cc1Cl)Cl 22a_100000756455_100000185840 [0,2,0,0,0,0|2,0,0]=4 8034 B14R1.2523 CCNNC(=O)c1ccc(cc1Cl)F 22a_100000756455_100000211397 [0,2,0,0,0,0|2,0,0]=4 8035 B14R1.2523 CCNNC(=O)c1ccc(cc1Cl)I 22a_100000756455_100000751301 [0,2,0,0,0,0|2,0,0]=4 8036 B14R1.2523 CCNNC(=O)c1ccc(cc1Cl)O 22a_100000756455_100000702456 [0,2,0,0,0,0|2,0,0]=4 8037 B14R1.2523 CCNNC(=O)c1ccc(cc1F)Br 22a_100000756455_100000214689 [0,2,0,0,0,0|2,0,0]=4 8038 B14R1.2523 CCNNC(=O)c1ccc(cc1F)C 22a_100000756455_100000766033 [0,2,0,0,0,0|2,0,0]=4 8039 B14R1.2523 CCNNC(=O)c1ccc(cc1F)Cl 22a_100000756455_100000212326 [0,2,0,0,0,0|2,0,0]=4 8040 B14R1.2523 CCNNC(=O)c1ccc(cc1F)F 22a_100000756455_100000211022 [0,2,0,0,0,0|2,0,0]=4 8041 B14R1.2523 CCNNC(=O)c1ccc(cc1F)I 22a_100000756455_100000037189 [0,2,0,0,0,0|2,0,0]=4 8042 B14R1.2523 CCNNC(=O)c1ccc(cc1F)O 22a_100000756455_100000689029 [0,2,0,0,0,0|2,0,0]=4 8043 B14R1.2523 CCNNC(=O)c1ccc(cc1I)Br 22a_100000756455_100000751167 [0,2,0,0,0,0|2,0,0]=4 8044 B14R1.2523 CCNNC(=O)c1ccc(cc1I)C 22a_100000756455_100009999607 [0,2,0,0,0,0|2,0,0]=4 8045 B14R1.2523 CCNNC(=O)c1ccc(cc1I)Cl 22a_100000756455_100000739380 [0,2,0,0,0,0|2,0,0]=4 8046 B14R1.2523 CCNNC(=O)c1ccc(cc1I)F 22a_100000756455_100000739341 [0,2,0,0,0,0|2,0,0]=4 8047 B14R1.2523 CCNNC(=O)c1ccc(cc1O)Br 22a_100000756455_100000744433 [0,2,0,0,0,0|2,0,0]=4 8048 B14R1.2523 CCNNC(=O)c1ccc(cc1O)C 22a_100000756455_100000212137 [0,2,0,0,0,0|2,0,0]=4 8049 B14R1.2523 CCNNC(=O)c1ccc(cc1O)Cl 22a_100000756455_100000188622 [0,2,0,0,0,0|2,0,0]=4 8050 B14R1.2523 CCNNC(=O)c1ccc(cc1O)F 22a_100000756455_100000746061 [0,2,0,0,0,0|2,0,0]=4 8051 B14R1.2523 CCNNC(=O)c1ccc(cc1O)I 22a_100000756455_100000091984 [0,2,0,0,0,0|2,0,0]=4 8052 B14R1.2523 CCNNC(=O)c1ccc(cc1O)O 22a_100000756455_100000212172 [0,2,0,0,0,0|2,0,0]=4 8053 B14R1.2523 CCOCC(=O)c1ccc(cc1Br)F 34a_100121572206_100012361341 [0,2,0,0,0,0|2,0,0]=4 8054 B14R1.2523 CCOCC(=O)c1ccc(cc1C)C 34a_100121572206_100000229959 [0,2,0,0,0,0|2,0,0]=4 8055 B14R1.2523 CCOCC(=O)c1ccc(cc1Cl)F 34a_100121572206_100012056422 [0,2,0,0,0,0|2,0,0]=4 8056 B14R1.2523 CCOCC(=O)c1ccc(cc1F)Br 34a_100121572206_200012361339 [0,2,0,0,0,0|2,0,0]=4 8057 B14R1.2523 CCOCC(=O)c1ccc(cc1F)Cl 34a_100121572206_100012351891 [0,2,0,0,0,0|2,0,0]=4 8058 B14R1.2523 CCOCC(=O)c1ccc(cc1F)F 34a_100121572206_100000229962 [0,2,0,0,0,0|2,0,0]=4 8059 B14R1.2523 CCOCC(=O)c1ccc(cc1O)F 34a_100121572206_100009817053 [0,2,0,0,0,0|2,0,0]=4 8060 B14R1.2523 CCOCC(=O)c1ccc(cc1O)O 34a_100121572206_100009814262 [0,2,0,0,0,0|2,0,0]=4 8061 B14R1.2523 CCSCC(=O)c1ccc(cc1Br)F 62a_100012361341_100000210202 [0,2,0,0,0,0|2,0,0]=4 8062 B14R1.2523 CCSCC(=O)c1ccc(cc1C)C 62a_100000210202_100000229959 [0,2,0,0,0,0|2,0,0]=4 8063 B14R1.2523 CCSCC(=O)c1ccc(cc1C)C 62a_100000229959_100000210202 [0,2,0,0,0,0|2,0,0]=4 8064 B14R1.2523 CCSCC(=O)c1ccc(cc1Cl)Cl 62a_100011218845_100000210202 [0,2,0,0,0,0|2,0,0]=4 8065 B14R1.2523 CCSCC(=O)c1ccc(cc1Cl)F 62a_100000210202_100012056422 [0,2,0,0,0,0|2,0,0]=4 8066 B14R1.2523 CCSCC(=O)c1ccc(cc1Cl)F 62a_100012056422_100000210202 [0,2,0,0,0,0|2,0,0]=4 8067 B14R1.2523 CCSCC(=O)c1ccc(cc1F)Br 62a_200012361339_100000210202 [0,2,0,0,0,0|2,0,0]=4 8068 B14R1.2523 CCSCC(=O)c1ccc(cc1F)Cl 62a_100000210202_100012351891 [0,2,0,0,0,0|2,0,0]=4 8069 B14R1.2523 CCSCC(=O)c1ccc(cc1F)Cl 62a_100012351891_100000210202 [0,2,0,0,0,0|2,0,0]=4 8070 B14R1.2523 CCSCC(=O)c1ccc(cc1F)F 62a_100000210202_100000229962 [0,2,0,0,0,0|2,0,0]=4 8071 B14R1.2523 CCSCC(=O)c1ccc(cc1F)F 62a_100000229962_100000210202 [0,2,0,0,0,0|2,0,0]=4 8072 B14R1.2523 CCSCC(=O)c1ccc(cc1O)F 62a_100000210202_100009817053 [0,2,0,0,0,0|2,0,0]=4 8073 B14R1.2523 CCSCC(=O)c1ccc(cc1O)F 62a_100009817053_100000210202 [0,2,0,0,0,0|2,0,0]=4 8074 B14R1.2523 CCSCC(=O)c1ccc(cc1O)O 62a_100000210202_100009814262 [0,2,0,0,0,0|2,0,0]=4 8075 B14R1.2523 CCSCC(=O)c1ccc(cc1O)O 62a_100009814262_100000210202 [0,2,0,0,0,0|2,0,0]=4 8076 B14R1.2523 CNCCC(=O)c1ccc(cc1F)Br 2230a_106832991635_100010339771 [0,2,0,0,0,0|2,0,0]=4 8077 B14R1.2523 CNCCC(=O)c1ccc(cc1F)Br 34a_100102657272_100010339771 [0,2,0,0,0,0|2,0,0]=4 8078 B14R1.2523 CNCCC(=O)c1ccc(cc1F)Br 7a_106832991635_100010339771 [0,2,0,0,0,0|2,0,0]=4 8079 B14R1.2523 CNCOC(=O)c1ccc(cc1Cl)Cl 2230a_106832991635_100010978946 [0,2,0,0,0,0|1,0,0]=3 8080 B14R1.2523 COCCC(=O)c1ccc(cc1Br)Br 1458a_100000762965_100000233755 [0,2,0,0,0,0|2,0,0]=4 8081 B14R1.2523 COCCC(=O)c1ccc(cc1Br)C 1458a_100000685072_100000233755 [0,2,0,0,0,0|2,0,0]=4 8082 B14R1.2523 COCCC(=O)c1ccc(cc1Br)Cl 1458a_100000766353_100000233755 [0,2,0,0,0,0|2,0,0]=4 8083 B14R1.2523 COCCC(=O)c1ccc(cc1Br)F 1458a_100000212304_100000233755 [0,2,0,0,0,0|2,0,0]=4 8084 B14R1.2523 COCCC(=O)c1ccc(cc1Br)I 1458a_100012360512_100000233755 [0,2,0,0,0,0|2,0,0]=4 8085 B14R1.2523 COCCC(=O)c1ccc(cc1Br)O 1458a_100012344906_100000233755 [0,2,0,0,0,0|2,0,0]=4 8086 B14R1.2523 COCCC(=O)c1ccc(cc1C)Br 1458a_100000741311_100000233755 [0,2,0,0,0,0|2,0,0]=4 8087 B14R1.2523 COCCC(=O)c1ccc(cc1C)C 1458a_100000211164_100000233755 [0,2,0,0,0,0|2,0,0]=4 8088 B14R1.2523 COCCC(=O)c1ccc(cc1C)Cl 1458a_100000688705_100000233755 [0,2,0,0,0,0|2,0,0]=4 8089 B14R1.2523 COCCC(=O)c1ccc(cc1C)F 1458a_100000686989_100000233755 [0,2,0,0,0,0|2,0,0]=4 8090 B14R1.2523 COCCC(=O)c1ccc(cc1C)I 1458a_100010189873_100000233755 [0,2,0,0,0,0|2,0,0]=4 8091 B14R1.2523 COCCC(=O)c1ccc(cc1C)O 1458a_100000692822_100000233755 [0,2,0,0,0,0|2,0,0]=4 8092 B14R1.2523 COCCC(=O)c1ccc(cc1Cl)Br 1458a_100000741628_100000233755 [0,2,0,0,0,0|2,0,0]=4 8093 B14R1.2523 COCCC(=O)c1ccc(cc1Cl)C 1458a_100000766932_100000233755 [0,2,0,0,0,0|2,0,0]=4 8094 B14R1.2523 COCCC(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_100000233755 [0,2,0,0,0,0|2,0,0]=4 8095 B14R1.2523 COCCC(=O)c1ccc(cc1Cl)F 1458a_100000211397_100000233755 [0,2,0,0,0,0|2,0,0]=4 8096 B14R1.2523 COCCC(=O)c1ccc(cc1Cl)I 1458a_100000751301_100000233755 [0,2,0,0,0,0|2,0,0]=4 8097 B14R1.2523 COCCC(=O)c1ccc(cc1Cl)O 1458a_100000702456_100000233755 [0,2,0,0,0,0|2,0,0]=4 8098 B14R1.2523 COCCC(=O)c1ccc(cc1F)Br 1458a_100000214689_100000233755 [0,2,0,0,0,0|2,0,0]=4 8099 B14R1.2523 COCCC(=O)c1ccc(cc1F)Br 34a_100138415774_100010339771 [0,2,0,0,0,0|2,0,0]=4 8100 B14R1.2523 COCCC(=O)c1ccc(cc1F)C 1458a_100000766033_100000233755 [0,2,0,0,0,0|2,0,0]=4 8101 B14R1.2523 COCCC(=O)c1ccc(cc1F)Cl 1458a_100000212326_100000233755 [0,2,0,0,0,0|2,0,0]=4 8102 B14R1.2523 COCCC(=O)c1ccc(cc1F)F 1458a_100000211022_100000233755 [0,2,0,0,0,0|2,0,0]=4 8103 B14R1.2523 COCCC(=O)c1ccc(cc1F)I 1458a_100000037189_100000233755 [0,2,0,0,0,0|2,0,0]=4 8104 B14R1.2523 COCCC(=O)c1ccc(cc1F)O 1458a_100000689029_100000233755 [0,2,0,0,0,0|2,0,0]=4 8105 B14R1.2523 COCCC(=O)c1ccc(cc1I)Br 1458a_100000751167_100000233755 [0,2,0,0,0,0|2,0,0]=4 8106 B14R1.2523 COCCC(=O)c1ccc(cc1I)C 1458a_100009999607_100000233755 [0,2,0,0,0,0|2,0,0]=4 8107 B14R1.2523 COCCC(=O)c1ccc(cc1I)Cl 1458a_100000739380_100000233755 [0,2,0,0,0,0|2,0,0]=4 8108 B14R1.2523 COCCC(=O)c1ccc(cc1I)F 1458a_100000739341_100000233755 [0,2,0,0,0,0|2,0,0]=4 8109 B14R1.2523 COCCC(=O)c1ccc(cc1O)Br 1458a_100000744433_100000233755 [0,2,0,0,0,0|2,0,0]=4 8110 B14R1.2523 COCCC(=O)c1ccc(cc1O)C 1458a_100000212137_100000233755 [0,2,0,0,0,0|2,0,0]=4 8111 B14R1.2523 COCCC(=O)c1ccc(cc1O)Cl 1458a_100000188622_100000233755 [0,2,0,0,0,0|2,0,0]=4 8112 B14R1.2523 COCCC(=O)c1ccc(cc1O)F 1458a_100000746061_100000233755 [0,2,0,0,0,0|2,0,0]=4 8113 B14R1.2523 COCCC(=O)c1ccc(cc1O)I 1458a_100000091984_100000233755 [0,2,0,0,0,0|2,0,0]=4 8114 B14R1.2523 COCCC(=O)c1ccc(cc1O)O 1458a_100000212172_100000233755 [0,2,0,0,0,0|2,0,0]=4 8115 B14R1.2523 CSCCC(=O)c1ccc(cc1Br)Br 1458a_100000762965_100000751147 [0,2,0,0,0,0|2,0,0]=4 8116 B14R1.2523 CSCCC(=O)c1ccc(cc1Br)C 1458a_100000685072_100000751147 [0,2,0,0,0,0|2,0,0]=4 8117 B14R1.2523 CSCCC(=O)c1ccc(cc1Br)Cl 1458a_100000766353_100000751147 [0,2,0,0,0,0|2,0,0]=4 8118 B14R1.2523 CSCCC(=O)c1ccc(cc1Br)F 1458a_100000212304_100000751147 [0,2,0,0,0,0|2,0,0]=4 8119 B14R1.2523 CSCCC(=O)c1ccc(cc1Br)I 1458a_100012360512_100000751147 [0,2,0,0,0,0|2,0,0]=4 8120 B14R1.2523 CSCCC(=O)c1ccc(cc1Br)O 1458a_100012344906_100000751147 [0,2,0,0,0,0|2,0,0]=4 8121 B14R1.2523 CSCCC(=O)c1ccc(cc1C)Br 1458a_100000741311_100000751147 [0,2,0,0,0,0|2,0,0]=4 8122 B14R1.2523 CSCCC(=O)c1ccc(cc1C)C 1458a_100000211164_100000751147 [0,2,0,0,0,0|2,0,0]=4 8123 B14R1.2523 CSCCC(=O)c1ccc(cc1C)Cl 1458a_100000688705_100000751147 [0,2,0,0,0,0|2,0,0]=4 8124 B14R1.2523 CSCCC(=O)c1ccc(cc1C)F 1458a_100000686989_100000751147 [0,2,0,0,0,0|2,0,0]=4 8125 B14R1.2523 CSCCC(=O)c1ccc(cc1C)I 1458a_100010189873_100000751147 [0,2,0,0,0,0|2,0,0]=4 8126 B14R1.2523 CSCCC(=O)c1ccc(cc1C)O 1458a_100000692822_100000751147 [0,2,0,0,0,0|2,0,0]=4 8127 B14R1.2523 CSCCC(=O)c1ccc(cc1Cl)Br 1458a_100000741628_100000751147 [0,2,0,0,0,0|2,0,0]=4 8128 B14R1.2523 CSCCC(=O)c1ccc(cc1Cl)C 1458a_100000766932_100000751147 [0,2,0,0,0,0|2,0,0]=4 8129 B14R1.2523 CSCCC(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_100000751147 [0,2,0,0,0,0|2,0,0]=4 8130 B14R1.2523 CSCCC(=O)c1ccc(cc1Cl)F 1458a_100000211397_100000751147 [0,2,0,0,0,0|2,0,0]=4 8131 B14R1.2523 CSCCC(=O)c1ccc(cc1Cl)I 1458a_100000751301_100000751147 [0,2,0,0,0,0|2,0,0]=4 8132 B14R1.2523 CSCCC(=O)c1ccc(cc1Cl)O 1458a_100000702456_100000751147 [0,2,0,0,0,0|2,0,0]=4 8133 B14R1.2523 CSCCC(=O)c1ccc(cc1F)Br 1458a_100000214689_100000751147 [0,2,0,0,0,0|2,0,0]=4 8134 B14R1.2523 CSCCC(=O)c1ccc(cc1F)Br 62a_100010339771_200000210301 [0,2,0,0,0,0|2,0,0]=4 8135 B14R1.2523 CSCCC(=O)c1ccc(cc1F)Br 62a_200000210301_100010339771 [0,2,0,0,0,0|2,0,0]=4 8136 B14R1.2523 CSCCC(=O)c1ccc(cc1F)C 1458a_100000766033_100000751147 [0,2,0,0,0,0|2,0,0]=4 8137 B14R1.2523 CSCCC(=O)c1ccc(cc1F)Cl 1458a_100000212326_100000751147 [0,2,0,0,0,0|2,0,0]=4 8138 B14R1.2523 CSCCC(=O)c1ccc(cc1F)F 1458a_100000211022_100000751147 [0,2,0,0,0,0|2,0,0]=4 8139 B14R1.2523 CSCCC(=O)c1ccc(cc1F)I 1458a_100000037189_100000751147 [0,2,0,0,0,0|2,0,0]=4 8140 B14R1.2523 CSCCC(=O)c1ccc(cc1F)O 1458a_100000689029_100000751147 [0,2,0,0,0,0|2,0,0]=4 8141 B14R1.2523 CSCCC(=O)c1ccc(cc1I)Br 1458a_100000751167_100000751147 [0,2,0,0,0,0|2,0,0]=4 8142 B14R1.2523 CSCCC(=O)c1ccc(cc1I)C 1458a_100009999607_100000751147 [0,2,0,0,0,0|2,0,0]=4 8143 B14R1.2523 CSCCC(=O)c1ccc(cc1I)Cl 1458a_100000739380_100000751147 [0,2,0,0,0,0|2,0,0]=4 8144 B14R1.2523 CSCCC(=O)c1ccc(cc1I)F 1458a_100000739341_100000751147 [0,2,0,0,0,0|2,0,0]=4 8145 B14R1.2523 CSCCC(=O)c1ccc(cc1O)Br 1458a_100000744433_100000751147 [0,2,0,0,0,0|2,0,0]=4 8146 B14R1.2523 CSCCC(=O)c1ccc(cc1O)C 1458a_100000212137_100000751147 [0,2,0,0,0,0|2,0,0]=4 8147 B14R1.2523 CSCCC(=O)c1ccc(cc1O)Cl 1458a_100000188622_100000751147 [0,2,0,0,0,0|2,0,0]=4 8148 B14R1.2523 CSCCC(=O)c1ccc(cc1O)F 1458a_100000746061_100000751147 [0,2,0,0,0,0|2,0,0]=4 8149 B14R1.2523 CSCCC(=O)c1ccc(cc1O)I 1458a_100000091984_100000751147 [0,2,0,0,0,0|2,0,0]=4 8150 B14R1.2523 CSCCC(=O)c1ccc(cc1O)O 1458a_100000212172_100000751147 [0,2,0,0,0,0|2,0,0]=4 8151 B14R1.2523 CSCOC(=O)c1ccc(cc1Cl)Cl 62a_100010978946_200000210301 [0,2,0,0,0,0|1,0,0]=3 8152 B14R1.2523 Cc1cc(ccc1C(=O)CCCF)Br 1458a_100000741311_100011934791 [0,2,0,0,0,0|2,0,0]=4 8153 B14R1.2523 Cc1cc(ccc1C(=O)CCCF)Cl 1458a_100000688705_100011934791 [0,2,0,0,0,0|2,0,0]=4 8154 B14R1.2523 Cc1cc(ccc1C(=O)CCCF)F 1458a_100000686989_100011934791 [0,2,0,0,0,0|2,0,0]=4 8155 B14R1.2523 Cc1cc(ccc1C(=O)CCCF)I 1458a_100010189873_100011934791 [0,2,0,0,0,0|2,0,0]=4 8156 B14R1.2523 Cc1cc(ccc1C(=O)CCCF)O 1458a_100000692822_100011934791 [0,2,0,0,0,0|2,0,0]=4 8157 B14R1.2523 Cc1cc(ccc1C(=O)CCCO)Br 1458a_100000741311_100011215043 [0,2,0,0,0,0|2,0,0]=4 8158 B14R1.2523 Cc1cc(ccc1C(=O)CCCO)Cl 1458a_100000688705_100011215043 [0,2,0,0,0,0|2,0,0]=4 8159 B14R1.2523 Cc1cc(ccc1C(=O)CCCO)F 1458a_100000686989_100011215043 [0,2,0,0,0,0|2,0,0]=4 8160 B14R1.2523 Cc1cc(ccc1C(=O)CCCO)I 1458a_100010189873_100011215043 [0,2,0,0,0,0|2,0,0]=4 8161 B14R1.2523 Cc1cc(ccc1C(=O)CCCO)O 1458a_100000692822_100011215043 [0,2,0,0,0,0|2,0,0]=4 8162 B14R1.2523 Cc1cc(ccc1C(=O)NCCF)Br 11a_100000724931_100000741311 [0,2,0,0,0,0|2,0,0]=4 8163 B14R1.2523 Cc1cc(ccc1C(=O)NCCF)Br 1626a_100000724931_100000741311 [0,2,0,0,0,0|2,0,0]=4 8164 B14R1.2523 Cc1cc(ccc1C(=O)NCCF)Br 240690a_100000724931_100000741311 [0,2,0,0,0,0|2,0,0]=4 8165 B14R1.2523 Cc1cc(ccc1C(=O)NCCF)Br 527a_100000724931_100000741311 [0,2,0,0,0,0|2,0,0]=4 8166 B14R1.2523 Cc1cc(ccc1C(=O)NCCF)Cl 11a_100000724931_100000688705 [0,2,0,0,0,0|2,0,0]=4 8167 B14R1.2523 Cc1cc(ccc1C(=O)NCCF)Cl 1626a_100000724931_100000688705 [0,2,0,0,0,0|2,0,0]=4 8168 B14R1.2523 Cc1cc(ccc1C(=O)NCCF)Cl 240690a_100000724931_100000688705 [0,2,0,0,0,0|2,0,0]=4 8169 B14R1.2523 Cc1cc(ccc1C(=O)NCCF)Cl 527a_100000724931_100000688705 [0,2,0,0,0,0|2,0,0]=4 8170 B14R1.2523 Cc1cc(ccc1C(=O)NCCF)F 11a_100000724931_100000686989 [0,2,0,0,0,0|2,0,0]=4 8171 B14R1.2523 Cc1cc(ccc1C(=O)NCCF)F 1626a_100000724931_100000686989 [0,2,0,0,0,0|2,0,0]=4 8172 B14R1.2523 Cc1cc(ccc1C(=O)NCCF)F 240690a_100000724931_100000686989 [0,2,0,0,0,0|2,0,0]=4 8173 B14R1.2523 Cc1cc(ccc1C(=O)NCCF)F 527a_100000724931_100000686989 [0,2,0,0,0,0|2,0,0]=4 8174 B14R1.2523 Cc1cc(ccc1C(=O)NCCF)I 11a_100000724931_100010189873 [0,2,0,0,0,0|2,0,0]=4 8175 B14R1.2523 Cc1cc(ccc1C(=O)NCCF)I 1626a_100000724931_100010189873 [0,2,0,0,0,0|2,0,0]=4 8176 B14R1.2523 Cc1cc(ccc1C(=O)NCCF)I 240690a_100000724931_100010189873 [0,2,0,0,0,0|2,0,0]=4 8177 B14R1.2523 Cc1cc(ccc1C(=O)NCCF)I 527a_100000724931_100010189873 [0,2,0,0,0,0|2,0,0]=4 8178 B14R1.2523 Cc1cc(ccc1C(=O)NCCF)O 240690a_100000724931_100000692822 [0,2,0,0,0,0|2,0,0]=4 8179 B14R1.2523 Cc1cc(ccc1C(=O)NCCF)O 527a_100000724931_100000692822 [0,2,0,0,0,0|2,0,0]=4 8180 B14R1.2523 Cc1cc(ccc1C(=O)NCCO)Br 240690a_100000210304_100000741311 [0,2,0,0,0,0|2,0,0]=4 8181 B14R1.2523 Cc1cc(ccc1C(=O)NCCO)Br 527a_100000210304_100000741311 [0,2,0,0,0,0|2,0,0]=4 8182 B14R1.2523 Cc1cc(ccc1C(=O)NCCO)Cl 240690a_100000210304_100000688705 [0,2,0,0,0,0|2,0,0]=4 8183 B14R1.2523 Cc1cc(ccc1C(=O)NCCO)Cl 527a_100000210304_100000688705 [0,2,0,0,0,0|2,0,0]=4 8184 B14R1.2523 Cc1cc(ccc1C(=O)NCCO)F 240690a_100000210304_100000686989 [0,2,0,0,0,0|2,0,0]=4 8185 B14R1.2523 Cc1cc(ccc1C(=O)NCCO)F 527a_100000210304_100000686989 [0,2,0,0,0,0|2,0,0]=4 8186 B14R1.2523 Cc1cc(ccc1C(=O)NCCO)I 240690a_100000210304_100010189873 [0,2,0,0,0,0|2,0,0]=4 8187 B14R1.2523 Cc1cc(ccc1C(=O)NCCO)I 527a_100000210304_100010189873 [0,2,0,0,0,0|2,0,0]=4 8188 B14R1.2523 Cc1cc(ccc1C(=O)NCCO)O 240690a_100000210304_100000692822 [0,2,0,0,0,0|2,0,0]=4 8189 B14R1.2523 Cc1cc(ccc1C(=O)NCCO)O 527a_100000210304_100000692822 [0,2,0,0,0,0|2,0,0]=4 8190 B14R1.2523 Cc1ccc(c(c1)Br)C(=O)CCCF 1458a_100000685072_100011934791 [0,2,0,0,0,0|2,0,0]=4 8191 B14R1.2523 Cc1ccc(c(c1)Br)C(=O)CCCO 1458a_100000685072_100011215043 [0,2,0,0,0,0|2,0,0]=4 8192 B14R1.2523 Cc1ccc(c(c1)Br)C(=O)NCCF 11a_100000724931_100000685072 [0,2,0,0,0,0|2,0,0]=4 8193 B14R1.2523 Cc1ccc(c(c1)Br)C(=O)NCCF 1626a_100000724931_100000685072 [0,2,0,0,0,0|2,0,0]=4 8194 B14R1.2523 Cc1ccc(c(c1)Br)C(=O)NCCF 240690a_100000724931_100000685072 [0,2,0,0,0,0|2,0,0]=4 8195 B14R1.2523 Cc1ccc(c(c1)Br)C(=O)NCCF 527a_100000724931_100000685072 [0,2,0,0,0,0|2,0,0]=4 8196 B14R1.2523 Cc1ccc(c(c1)Br)C(=O)NCCO 240690a_100000210304_100000685072 [0,2,0,0,0,0|2,0,0]=4 8197 B14R1.2523 Cc1ccc(c(c1)Br)C(=O)NCCO 527a_100000210304_100000685072 [0,2,0,0,0,0|2,0,0]=4 8198 B14R1.2523 Cc1ccc(c(c1)C)C(=O)CCCF 1458a_100000211164_100011934791 [0,2,0,0,0,0|2,0,0]=4 8199 B14R1.2523 Cc1ccc(c(c1)C)C(=O)CCCO 1458a_100000211164_100011215043 [0,2,0,0,0,0|2,0,0]=4 8200 B14R1.2523 Cc1ccc(c(c1)C)C(=O)NCCF 11a_100000724931_100000211164 [0,2,0,0,0,0|2,0,0]=4 8201 B14R1.2523 Cc1ccc(c(c1)C)C(=O)NCCF 1626a_100000724931_100000211164 [0,2,0,0,0,0|2,0,0]=4 8202 B14R1.2523 Cc1ccc(c(c1)C)C(=O)NCCF 240690a_100000724931_100000211164 [0,2,0,0,0,0|2,0,0]=4 8203 B14R1.2523 Cc1ccc(c(c1)C)C(=O)NCCF 527a_100000724931_100000211164 [0,2,0,0,0,0|2,0,0]=4 8204 B14R1.2523 Cc1ccc(c(c1)C)C(=O)NCCO 240690a_100000210304_100000211164 [0,2,0,0,0,0|2,0,0]=4 8205 B14R1.2523 Cc1ccc(c(c1)C)C(=O)NCCO 527a_100000210304_100000211164 [0,2,0,0,0,0|2,0,0]=4 8206 B14R1.2523 Cc1ccc(c(c1)Cl)C(=O)CCCF 1458a_100000766932_100011934791 [0,2,0,0,0,0|2,0,0]=4 8207 B14R1.2523 Cc1ccc(c(c1)Cl)C(=O)CCCO 1458a_100000766932_100011215043 [0,2,0,0,0,0|2,0,0]=4 8208 B14R1.2523 Cc1ccc(c(c1)Cl)C(=O)NCCF 11a_100000724931_100000766932 [0,2,0,0,0,0|2,0,0]=4 8209 B14R1.2523 Cc1ccc(c(c1)Cl)C(=O)NCCF 1626a_100000724931_100000766932 [0,2,0,0,0,0|2,0,0]=4 8210 B14R1.2523 Cc1ccc(c(c1)Cl)C(=O)NCCF 240690a_100000724931_100000766932 [0,2,0,0,0,0|2,0,0]=4 8211 B14R1.2523 Cc1ccc(c(c1)Cl)C(=O)NCCF 527a_100000724931_100000766932 [0,2,0,0,0,0|2,0,0]=4 8212 B14R1.2523 Cc1ccc(c(c1)Cl)C(=O)NCCO 240690a_100000210304_100000766932 [0,2,0,0,0,0|2,0,0]=4 8213 B14R1.2523 Cc1ccc(c(c1)Cl)C(=O)NCCO 527a_100000210304_100000766932 [0,2,0,0,0,0|2,0,0]=4 8214 B14R1.2523 Cc1ccc(c(c1)F)C(=O)CCCF 1458a_100000766033_100011934791 [0,2,0,0,0,0|2,0,0]=4 8215 B14R1.2523 Cc1ccc(c(c1)F)C(=O)CCCO 1458a_100000766033_100011215043 [0,2,0,0,0,0|2,0,0]=4 8216 B14R1.2523 Cc1ccc(c(c1)F)C(=O)NCCF 11a_100000724931_100000766033 [0,2,0,0,0,0|2,0,0]=4 8217 B14R1.2523 Cc1ccc(c(c1)F)C(=O)NCCF 1626a_100000724931_100000766033 [0,2,0,0,0,0|2,0,0]=4 8218 B14R1.2523 Cc1ccc(c(c1)F)C(=O)NCCF 240690a_100000724931_100000766033 [0,2,0,0,0,0|2,0,0]=4 8219 B14R1.2523 Cc1ccc(c(c1)F)C(=O)NCCF 527a_100000724931_100000766033 [0,2,0,0,0,0|2,0,0]=4 8220 B14R1.2523 Cc1ccc(c(c1)F)C(=O)NCCO 240690a_100000210304_100000766033 [0,2,0,0,0,0|2,0,0]=4 8221 B14R1.2523 Cc1ccc(c(c1)F)C(=O)NCCO 527a_100000210304_100000766033 [0,2,0,0,0,0|2,0,0]=4 8222 B14R1.2523 Cc1ccc(c(c1)I)C(=O)CCCF 1458a_100009999607_100011934791 [0,2,0,0,0,0|2,0,0]=4 8223 B14R1.2523 Cc1ccc(c(c1)I)C(=O)CCCO 1458a_100009999607_100011215043 [0,2,0,0,0,0|2,0,0]=4 8224 B14R1.2523 Cc1ccc(c(c1)I)C(=O)NCCF 11a_100000724931_100009999607 [0,2,0,0,0,0|2,0,0]=4 8225 B14R1.2523 Cc1ccc(c(c1)I)C(=O)NCCF 1626a_100000724931_100009999607 [0,2,0,0,0,0|2,0,0]=4 8226 B14R1.2523 Cc1ccc(c(c1)I)C(=O)NCCF 240690a_100000724931_100009999607 [0,2,0,0,0,0|2,0,0]=4 8227 B14R1.2523 Cc1ccc(c(c1)I)C(=O)NCCF 527a_100000724931_100009999607 [0,2,0,0,0,0|2,0,0]=4 8228 B14R1.2523 Cc1ccc(c(c1)I)C(=O)NCCO 240690a_100000210304_100009999607 [0,2,0,0,0,0|2,0,0]=4 8229 B14R1.2523 Cc1ccc(c(c1)I)C(=O)NCCO 527a_100000210304_100009999607 [0,2,0,0,0,0|2,0,0]=4 8230 B14R1.2523 Cc1ccc(c(c1)O)C(=O)CCCF 1458a_100000212137_100011934791 [0,2,0,0,0,0|2,0,0]=4 8231 B14R1.2523 Cc1ccc(c(c1)O)C(=O)CCCO 1458a_100000212137_100011215043 [0,2,0,0,0,0|2,0,0]=4 8232 B14R1.2523 Cc1ccc(c(c1)O)C(=O)NCCF 1626a_100000724931_100000212137 [0,2,0,0,0,0|2,0,0]=4 8233 B14R1.2523 Cc1ccc(c(c1)O)C(=O)NCCF 240690a_100000724931_100000212137 [0,2,0,0,0,0|2,0,0]=4 8234 B14R1.2523 Cc1ccc(c(c1)O)C(=O)NCCF 527a_100000724931_100000212137 [0,2,0,0,0,0|2,0,0]=4 8235 B14R1.2523 Cc1ccc(c(c1)O)C(=O)NCCO 240690a_100000210304_100000212137 [0,2,0,0,0,0|2,0,0]=4 8236 B14R1.2523 Cc1ccc(c(c1)O)C(=O)NCCO 527a_100000210304_100000212137 [0,2,0,0,0,0|2,0,0]=4 8237 B14R1.2523 O=C(CCCF)c1ccc(cc1Br)Br 1458a_100000762965_100011934791 [0,2,0,0,0,0|2,0,0]=4 8238 B14R1.2523 O=C(CCCF)c1ccc(cc1Br)Cl 1458a_100000766353_100011934791 [0,2,0,0,0,0|2,0,0]=4 8239 B14R1.2523 O=C(CCCF)c1ccc(cc1Br)F 1458a_100000212304_100011934791 [0,2,0,0,0,0|2,0,0]=4 8240 B14R1.2523 O=C(CCCF)c1ccc(cc1Br)I 1458a_100012360512_100011934791 [0,2,0,0,0,0|2,0,0]=4 8241 B14R1.2523 O=C(CCCF)c1ccc(cc1Br)O 1458a_100012344906_100011934791 [0,2,0,0,0,0|2,0,0]=4 8242 B14R1.2523 O=C(CCCF)c1ccc(cc1Cl)Br 1458a_100000741628_100011934791 [0,2,0,0,0,0|2,0,0]=4 8243 B14R1.2523 O=C(CCCF)c1ccc(cc1Cl)Cl 1458a_100000185840_100011934791 [0,2,0,0,0,0|2,0,0]=4 8244 B14R1.2523 O=C(CCCF)c1ccc(cc1Cl)F 1458a_100000211397_100011934791 [0,2,0,0,0,0|2,0,0]=4 8245 B14R1.2523 O=C(CCCF)c1ccc(cc1Cl)I 1458a_100000751301_100011934791 [0,2,0,0,0,0|2,0,0]=4 8246 B14R1.2523 O=C(CCCF)c1ccc(cc1Cl)O 1458a_100000702456_100011934791 [0,2,0,0,0,0|2,0,0]=4 8247 B14R1.2523 O=C(CCCF)c1ccc(cc1F)Br 1458a_100000214689_100011934791 [0,2,0,0,0,0|2,0,0]=4 8248 B14R1.2523 O=C(CCCF)c1ccc(cc1F)Cl 1458a_100000212326_100011934791 [0,2,0,0,0,0|2,0,0]=4 8249 B14R1.2523 O=C(CCCF)c1ccc(cc1F)F 1458a_100000211022_100011934791 [0,2,0,0,0,0|2,0,0]=4 8250 B14R1.2523 O=C(CCCF)c1ccc(cc1F)I 1458a_100000037189_100011934791 [0,2,0,0,0,0|2,0,0]=4 8251 B14R1.2523 O=C(CCCF)c1ccc(cc1F)O 1458a_100000689029_100011934791 [0,2,0,0,0,0|2,0,0]=4 8252 B14R1.2523 O=C(CCCF)c1ccc(cc1I)Br 1458a_100000751167_100011934791 [0,2,0,0,0,0|2,0,0]=4 8253 B14R1.2523 O=C(CCCF)c1ccc(cc1I)Cl 1458a_100000739380_100011934791 [0,2,0,0,0,0|2,0,0]=4 8254 B14R1.2523 O=C(CCCF)c1ccc(cc1I)F 1458a_100000739341_100011934791 [0,2,0,0,0,0|2,0,0]=4 8255 B14R1.2523 O=C(CCCF)c1ccc(cc1O)Br 1458a_100000744433_100011934791 [0,2,0,0,0,0|2,0,0]=4 8256 B14R1.2523 O=C(CCCF)c1ccc(cc1O)Cl 1458a_100000188622_100011934791 [0,2,0,0,0,0|2,0,0]=4 8257 B14R1.2523 O=C(CCCF)c1ccc(cc1O)F 1458a_100000746061_100011934791 [0,2,0,0,0,0|2,0,0]=4 8258 B14R1.2523 O=C(CCCF)c1ccc(cc1O)I 1458a_100000091984_100011934791 [0,2,0,0,0,0|2,0,0]=4 8259 B14R1.2523 O=C(CCCF)c1ccc(cc1O)O 1458a_100000212172_100011934791 [0,2,0,0,0,0|2,0,0]=4 8260 B14R1.2523 O=C(CCCO)c1ccc(cc1Br)Br 1458a_100000762965_100011215043 [0,2,0,0,0,0|2,0,0]=4 8261 B14R1.2523 O=C(CCCO)c1ccc(cc1Br)Cl 1458a_100000766353_100011215043 [0,2,0,0,0,0|2,0,0]=4 8262 B14R1.2523 O=C(CCCO)c1ccc(cc1Br)F 1458a_100000212304_100011215043 [0,2,0,0,0,0|2,0,0]=4 8263 B14R1.2523 O=C(CCCO)c1ccc(cc1Br)I 1458a_100012360512_100011215043 [0,2,0,0,0,0|2,0,0]=4 8264 B14R1.2523 O=C(CCCO)c1ccc(cc1Br)O 1458a_100012344906_100011215043 [0,2,0,0,0,0|2,0,0]=4 8265 B14R1.2523 O=C(CCCO)c1ccc(cc1Cl)Br 1458a_100000741628_100011215043 [0,2,0,0,0,0|2,0,0]=4 8266 B14R1.2523 O=C(CCCO)c1ccc(cc1Cl)Cl 1458a_100000185840_100011215043 [0,2,0,0,0,0|2,0,0]=4 8267 B14R1.2523 O=C(CCCO)c1ccc(cc1Cl)F 1458a_100000211397_100011215043 [0,2,0,0,0,0|2,0,0]=4 8268 B14R1.2523 O=C(CCCO)c1ccc(cc1Cl)I 1458a_100000751301_100011215043 [0,2,0,0,0,0|2,0,0]=4 8269 B14R1.2523 O=C(CCCO)c1ccc(cc1Cl)O 1458a_100000702456_100011215043 [0,2,0,0,0,0|2,0,0]=4 8270 B14R1.2523 O=C(CCCO)c1ccc(cc1F)Br 1458a_100000214689_100011215043 [0,2,0,0,0,0|2,0,0]=4 8271 B14R1.2523 O=C(CCCO)c1ccc(cc1F)Cl 1458a_100000212326_100011215043 [0,2,0,0,0,0|2,0,0]=4 8272 B14R1.2523 O=C(CCCO)c1ccc(cc1F)F 1458a_100000211022_100011215043 [0,2,0,0,0,0|2,0,0]=4 8273 B14R1.2523 O=C(CCCO)c1ccc(cc1F)I 1458a_100000037189_100011215043 [0,2,0,0,0,0|2,0,0]=4 8274 B14R1.2523 O=C(CCCO)c1ccc(cc1F)O 1458a_100000689029_100011215043 [0,2,0,0,0,0|2,0,0]=4 8275 B14R1.2523 O=C(CCCO)c1ccc(cc1I)Br 1458a_100000751167_100011215043 [0,2,0,0,0,0|2,0,0]=4 8276 B14R1.2523 O=C(CCCO)c1ccc(cc1I)Cl 1458a_100000739380_100011215043 [0,2,0,0,0,0|2,0,0]=4 8277 B14R1.2523 O=C(CCCO)c1ccc(cc1I)F 1458a_100000739341_100011215043 [0,2,0,0,0,0|2,0,0]=4 8278 B14R1.2523 O=C(CCCO)c1ccc(cc1O)Br 1458a_100000744433_100011215043 [0,2,0,0,0,0|2,0,0]=4 8279 B14R1.2523 O=C(CCCO)c1ccc(cc1O)Cl 1458a_100000188622_100011215043 [0,2,0,0,0,0|2,0,0]=4 8280 B14R1.2523 O=C(CCCO)c1ccc(cc1O)F 1458a_100000746061_100011215043 [0,2,0,0,0,0|2,0,0]=4 8281 B14R1.2523 O=C(CCCO)c1ccc(cc1O)I 1458a_100000091984_100011215043 [0,2,0,0,0,0|2,0,0]=4 8282 B14R1.2523 O=C(CCCO)c1ccc(cc1O)O 1458a_100000212172_100011215043 [0,2,0,0,0,0|2,0,0]=4 8283 B14R1.2523 O=C(NCCF)c1ccc(cc1Br)Br 11a_100000724931_100000762965 [0,2,0,0,0,0|2,0,0]=4 8284 B14R1.2523 O=C(NCCF)c1ccc(cc1Br)Br 1626a_100000724931_100000762965 [0,2,0,0,0,0|2,0,0]=4 8285 B14R1.2523 O=C(NCCF)c1ccc(cc1Br)Br 240690a_100000724931_100000762965 [0,2,0,0,0,0|2,0,0]=4 8286 B14R1.2523 O=C(NCCF)c1ccc(cc1Br)Br 527a_100000724931_100000762965 [0,2,0,0,0,0|2,0,0]=4 8287 B14R1.2523 O=C(NCCF)c1ccc(cc1Br)Cl 11a_100000724931_100000766353 [0,2,0,0,0,0|2,0,0]=4 8288 B14R1.2523 O=C(NCCF)c1ccc(cc1Br)Cl 1626a_100000724931_100000766353 [0,2,0,0,0,0|2,0,0]=4 8289 B14R1.2523 O=C(NCCF)c1ccc(cc1Br)Cl 240690a_100000724931_100000766353 [0,2,0,0,0,0|2,0,0]=4 8290 B14R1.2523 O=C(NCCF)c1ccc(cc1Br)Cl 527a_100000724931_100000766353 [0,2,0,0,0,0|2,0,0]=4 8291 B14R1.2523 O=C(NCCF)c1ccc(cc1Br)F 11a_100000724931_100000212304 [0,2,0,0,0,0|2,0,0]=4 8292 B14R1.2523 O=C(NCCF)c1ccc(cc1Br)F 1626a_100000724931_100000212304 [0,2,0,0,0,0|2,0,0]=4 8293 B14R1.2523 O=C(NCCF)c1ccc(cc1Br)F 240690a_100000724931_100000212304 [0,2,0,0,0,0|2,0,0]=4 8294 B14R1.2523 O=C(NCCF)c1ccc(cc1Br)F 527a_100000724931_100000212304 [0,2,0,0,0,0|2,0,0]=4 8295 B14R1.2523 O=C(NCCF)c1ccc(cc1Br)I 11a_100000724931_100012360512 [0,2,0,0,0,0|2,0,0]=4 8296 B14R1.2523 O=C(NCCF)c1ccc(cc1Br)I 1626a_100000724931_100012360512 [0,2,0,0,0,0|2,0,0]=4 8297 B14R1.2523 O=C(NCCF)c1ccc(cc1Br)I 240690a_100000724931_100012360512 [0,2,0,0,0,0|2,0,0]=4 8298 B14R1.2523 O=C(NCCF)c1ccc(cc1Br)I 527a_100000724931_100012360512 [0,2,0,0,0,0|2,0,0]=4 8299 B14R1.2523 O=C(NCCF)c1ccc(cc1Br)O 240690a_100000724931_100012344906 [0,2,0,0,0,0|2,0,0]=4 8300 B14R1.2523 O=C(NCCF)c1ccc(cc1Br)O 527a_100000724931_100012344906 [0,2,0,0,0,0|2,0,0]=4 8301 B14R1.2523 O=C(NCCF)c1ccc(cc1Cl)Br 11a_100000724931_100000741628 [0,2,0,0,0,0|2,0,0]=4 8302 B14R1.2523 O=C(NCCF)c1ccc(cc1Cl)Br 1626a_100000724931_100000741628 [0,2,0,0,0,0|2,0,0]=4 8303 B14R1.2523 O=C(NCCF)c1ccc(cc1Cl)Br 240690a_100000724931_100000741628 [0,2,0,0,0,0|2,0,0]=4 8304 B14R1.2523 O=C(NCCF)c1ccc(cc1Cl)Br 527a_100000724931_100000741628 [0,2,0,0,0,0|2,0,0]=4 8305 B14R1.2523 O=C(NCCF)c1ccc(cc1Cl)Cl 11a_100000724931_100000185840 [0,2,0,0,0,0|2,0,0]=4 8306 B14R1.2523 O=C(NCCF)c1ccc(cc1Cl)Cl 1626a_100000724931_100000185840 [0,2,0,0,0,0|2,0,0]=4 8307 B14R1.2523 O=C(NCCF)c1ccc(cc1Cl)Cl 240690a_100000724931_100000185840 [0,2,0,0,0,0|2,0,0]=4 8308 B14R1.2523 O=C(NCCF)c1ccc(cc1Cl)Cl 527a_100000724931_100000185840 [0,2,0,0,0,0|2,0,0]=4 8309 B14R1.2523 O=C(NCCF)c1ccc(cc1Cl)F 11a_100000724931_100000211397 [0,2,0,0,0,0|2,0,0]=4 8310 B14R1.2523 O=C(NCCF)c1ccc(cc1Cl)F 1626a_100000724931_100000211397 [0,2,0,0,0,0|2,0,0]=4 8311 B14R1.2523 O=C(NCCF)c1ccc(cc1Cl)F 240690a_100000724931_100000211397 [0,2,0,0,0,0|2,0,0]=4 8312 B14R1.2523 O=C(NCCF)c1ccc(cc1Cl)F 527a_100000724931_100000211397 [0,2,0,0,0,0|2,0,0]=4 8313 B14R1.2523 O=C(NCCF)c1ccc(cc1Cl)I 11a_100000724931_100000751301 [0,2,0,0,0,0|2,0,0]=4 8314 B14R1.2523 O=C(NCCF)c1ccc(cc1Cl)I 1626a_100000724931_100000751301 [0,2,0,0,0,0|2,0,0]=4 8315 B14R1.2523 O=C(NCCF)c1ccc(cc1Cl)I 240690a_100000724931_100000751301 [0,2,0,0,0,0|2,0,0]=4 8316 B14R1.2523 O=C(NCCF)c1ccc(cc1Cl)I 527a_100000724931_100000751301 [0,2,0,0,0,0|2,0,0]=4 8317 B14R1.2523 O=C(NCCF)c1ccc(cc1Cl)O 240690a_100000724931_100000702456 [0,2,0,0,0,0|2,0,0]=4 8318 B14R1.2523 O=C(NCCF)c1ccc(cc1Cl)O 527a_100000724931_100000702456 [0,2,0,0,0,0|2,0,0]=4 8319 B14R1.2523 O=C(NCCF)c1ccc(cc1F)Br 11a_100000724931_100000214689 [0,2,0,0,0,0|2,0,0]=4 8320 B14R1.2523 O=C(NCCF)c1ccc(cc1F)Br 1626a_100000724931_100000214689 [0,2,0,0,0,0|2,0,0]=4 8321 B14R1.2523 O=C(NCCF)c1ccc(cc1F)Br 240690a_100000724931_100000214689 [0,2,0,0,0,0|2,0,0]=4 8322 B14R1.2523 O=C(NCCF)c1ccc(cc1F)Br 527a_100000724931_100000214689 [0,2,0,0,0,0|2,0,0]=4 8323 B14R1.2523 O=C(NCCF)c1ccc(cc1F)Cl 11a_100000724931_100000212326 [0,2,0,0,0,0|2,0,0]=4 8324 B14R1.2523 O=C(NCCF)c1ccc(cc1F)Cl 1626a_100000724931_100000212326 [0,2,0,0,0,0|2,0,0]=4 8325 B14R1.2523 O=C(NCCF)c1ccc(cc1F)Cl 240690a_100000724931_100000212326 [0,2,0,0,0,0|2,0,0]=4 8326 B14R1.2523 O=C(NCCF)c1ccc(cc1F)Cl 527a_100000724931_100000212326 [0,2,0,0,0,0|2,0,0]=4 8327 B14R1.2523 O=C(NCCF)c1ccc(cc1F)F 11a_100000724931_100000211022 [0,2,0,0,0,0|2,0,0]=4 8328 B14R1.2523 O=C(NCCF)c1ccc(cc1F)F 1626a_100000724931_100000211022 [0,2,0,0,0,0|2,0,0]=4 8329 B14R1.2523 O=C(NCCF)c1ccc(cc1F)F 240690a_100000724931_100000211022 [0,2,0,0,0,0|2,0,0]=4 8330 B14R1.2523 O=C(NCCF)c1ccc(cc1F)F 527a_100000724931_100000211022 [0,2,0,0,0,0|2,0,0]=4 8331 B14R1.2523 O=C(NCCF)c1ccc(cc1F)I 11a_100000724931_100000037189 [0,2,0,0,0,0|2,0,0]=4 8332 B14R1.2523 O=C(NCCF)c1ccc(cc1F)I 1626a_100000724931_100000037189 [0,2,0,0,0,0|2,0,0]=4 8333 B14R1.2523 O=C(NCCF)c1ccc(cc1F)I 240690a_100000724931_100000037189 [0,2,0,0,0,0|2,0,0]=4 8334 B14R1.2523 O=C(NCCF)c1ccc(cc1F)I 527a_100000724931_100000037189 [0,2,0,0,0,0|2,0,0]=4 8335 B14R1.2523 O=C(NCCF)c1ccc(cc1F)O 240690a_100000724931_100000689029 [0,2,0,0,0,0|2,0,0]=4 8336 B14R1.2523 O=C(NCCF)c1ccc(cc1F)O 527a_100000724931_100000689029 [0,2,0,0,0,0|2,0,0]=4 8337 B14R1.2523 O=C(NCCF)c1ccc(cc1I)Br 11a_100000724931_100000751167 [0,2,0,0,0,0|2,0,0]=4 8338 B14R1.2523 O=C(NCCF)c1ccc(cc1I)Br 1626a_100000724931_100000751167 [0,2,0,0,0,0|2,0,0]=4 8339 B14R1.2523 O=C(NCCF)c1ccc(cc1I)Br 240690a_100000724931_100000751167 [0,2,0,0,0,0|2,0,0]=4 8340 B14R1.2523 O=C(NCCF)c1ccc(cc1I)Br 527a_100000724931_100000751167 [0,2,0,0,0,0|2,0,0]=4 8341 B14R1.2523 O=C(NCCF)c1ccc(cc1I)Cl 11a_100000724931_100000739380 [0,2,0,0,0,0|2,0,0]=4 8342 B14R1.2523 O=C(NCCF)c1ccc(cc1I)Cl 1626a_100000724931_100000739380 [0,2,0,0,0,0|2,0,0]=4 8343 B14R1.2523 O=C(NCCF)c1ccc(cc1I)Cl 240690a_100000724931_100000739380 [0,2,0,0,0,0|2,0,0]=4 8344 B14R1.2523 O=C(NCCF)c1ccc(cc1I)Cl 527a_100000724931_100000739380 [0,2,0,0,0,0|2,0,0]=4 8345 B14R1.2523 O=C(NCCF)c1ccc(cc1I)F 11a_100000724931_100000739341 [0,2,0,0,0,0|2,0,0]=4 8346 B14R1.2523 O=C(NCCF)c1ccc(cc1I)F 1626a_100000724931_100000739341 [0,2,0,0,0,0|2,0,0]=4 8347 B14R1.2523 O=C(NCCF)c1ccc(cc1I)F 240690a_100000724931_100000739341 [0,2,0,0,0,0|2,0,0]=4 8348 B14R1.2523 O=C(NCCF)c1ccc(cc1I)F 527a_100000724931_100000739341 [0,2,0,0,0,0|2,0,0]=4 8349 B14R1.2523 O=C(NCCF)c1ccc(cc1O)Br 240690a_100000724931_100000744433 [0,2,0,0,0,0|2,0,0]=4 8350 B14R1.2523 O=C(NCCF)c1ccc(cc1O)Br 527a_100000724931_100000744433 [0,2,0,0,0,0|2,0,0]=4 8351 B14R1.2523 O=C(NCCF)c1ccc(cc1O)Cl 11a_100000724931_100000188622 [0,2,0,0,0,0|2,0,0]=4 8352 B14R1.2523 O=C(NCCF)c1ccc(cc1O)Cl 240690a_100000724931_100000188622 [0,2,0,0,0,0|2,0,0]=4 8353 B14R1.2523 O=C(NCCF)c1ccc(cc1O)Cl 527a_100000724931_100000188622 [0,2,0,0,0,0|2,0,0]=4 8354 B14R1.2523 O=C(NCCF)c1ccc(cc1O)F 240690a_100000724931_100000746061 [0,2,0,0,0,0|2,0,0]=4 8355 B14R1.2523 O=C(NCCF)c1ccc(cc1O)F 527a_100000724931_100000746061 [0,2,0,0,0,0|2,0,0]=4 8356 B14R1.2523 O=C(NCCF)c1ccc(cc1O)I 240690a_100000724931_100000091984 [0,2,0,0,0,0|2,0,0]=4 8357 B14R1.2523 O=C(NCCF)c1ccc(cc1O)I 527a_100000724931_100000091984 [0,2,0,0,0,0|2,0,0]=4 8358 B14R1.2523 O=C(NCCO)c1ccc(cc1Br)Br 240690a_100000210304_100000762965 [0,2,0,0,0,0|2,0,0]=4 8359 B14R1.2523 O=C(NCCO)c1ccc(cc1Br)Br 527a_100000210304_100000762965 [0,2,0,0,0,0|2,0,0]=4 8360 B14R1.2523 O=C(NCCO)c1ccc(cc1Br)Cl 240690a_100000210304_100000766353 [0,2,0,0,0,0|2,0,0]=4 8361 B14R1.2523 O=C(NCCO)c1ccc(cc1Br)Cl 527a_100000210304_100000766353 [0,2,0,0,0,0|2,0,0]=4 8362 B14R1.2523 O=C(NCCO)c1ccc(cc1Br)F 240690a_100000210304_100000212304 [0,2,0,0,0,0|2,0,0]=4 8363 B14R1.2523 O=C(NCCO)c1ccc(cc1Br)F 527a_100000210304_100000212304 [0,2,0,0,0,0|2,0,0]=4 8364 B14R1.2523 O=C(NCCO)c1ccc(cc1Br)I 240690a_100000210304_100012360512 [0,2,0,0,0,0|2,0,0]=4 8365 B14R1.2523 O=C(NCCO)c1ccc(cc1Br)I 527a_100000210304_100012360512 [0,2,0,0,0,0|2,0,0]=4 8366 B14R1.2523 O=C(NCCO)c1ccc(cc1Br)O 240690a_100000210304_100012344906 [0,2,0,0,0,0|2,0,0]=4 8367 B14R1.2523 O=C(NCCO)c1ccc(cc1Br)O 527a_100000210304_100012344906 [0,2,0,0,0,0|2,0,0]=4 8368 B14R1.2523 O=C(NCCO)c1ccc(cc1Cl)Br 240690a_100000210304_100000741628 [0,2,0,0,0,0|2,0,0]=4 8369 B14R1.2523 O=C(NCCO)c1ccc(cc1Cl)Br 527a_100000210304_100000741628 [0,2,0,0,0,0|2,0,0]=4 8370 B14R1.2523 O=C(NCCO)c1ccc(cc1Cl)Cl 240690a_100000210304_100000185840 [0,2,0,0,0,0|2,0,0]=4 8371 B14R1.2523 O=C(NCCO)c1ccc(cc1Cl)Cl 527a_100000210304_100000185840 [0,2,0,0,0,0|2,0,0]=4 8372 B14R1.2523 O=C(NCCO)c1ccc(cc1Cl)F 240690a_100000210304_100000211397 [0,2,0,0,0,0|2,0,0]=4 8373 B14R1.2523 O=C(NCCO)c1ccc(cc1Cl)F 527a_100000210304_100000211397 [0,2,0,0,0,0|2,0,0]=4 8374 B14R1.2523 O=C(NCCO)c1ccc(cc1Cl)I 240690a_100000210304_100000751301 [0,2,0,0,0,0|2,0,0]=4 8375 B14R1.2523 O=C(NCCO)c1ccc(cc1Cl)I 527a_100000210304_100000751301 [0,2,0,0,0,0|2,0,0]=4 8376 B14R1.2523 O=C(NCCO)c1ccc(cc1Cl)O 240690a_100000210304_100000702456 [0,2,0,0,0,0|2,0,0]=4 8377 B14R1.2523 O=C(NCCO)c1ccc(cc1Cl)O 527a_100000210304_100000702456 [0,2,0,0,0,0|2,0,0]=4 8378 B14R1.2523 O=C(NCCO)c1ccc(cc1F)Br 240690a_100000210304_100000214689 [0,2,0,0,0,0|2,0,0]=4 8379 B14R1.2523 O=C(NCCO)c1ccc(cc1F)Br 527a_100000210304_100000214689 [0,2,0,0,0,0|2,0,0]=4 8380 B14R1.2523 O=C(NCCO)c1ccc(cc1F)Cl 240690a_100000210304_100000212326 [0,2,0,0,0,0|2,0,0]=4 8381 B14R1.2523 O=C(NCCO)c1ccc(cc1F)Cl 527a_100000210304_100000212326 [0,2,0,0,0,0|2,0,0]=4 8382 B14R1.2523 O=C(NCCO)c1ccc(cc1F)F 240690a_100000210304_100000211022 [0,2,0,0,0,0|2,0,0]=4 8383 B14R1.2523 O=C(NCCO)c1ccc(cc1F)F 527a_100000210304_100000211022 [0,2,0,0,0,0|2,0,0]=4 8384 B14R1.2523 O=C(NCCO)c1ccc(cc1F)I 240690a_100000210304_100000037189 [0,2,0,0,0,0|2,0,0]=4 8385 B14R1.2523 O=C(NCCO)c1ccc(cc1F)I 527a_100000210304_100000037189 [0,2,0,0,0,0|2,0,0]=4 8386 B14R1.2523 O=C(NCCO)c1ccc(cc1F)O 240690a_100000210304_100000689029 [0,2,0,0,0,0|2,0,0]=4 8387 B14R1.2523 O=C(NCCO)c1ccc(cc1F)O 527a_100000210304_100000689029 [0,2,0,0,0,0|2,0,0]=4 8388 B14R1.2523 O=C(NCCO)c1ccc(cc1I)Br 240690a_100000210304_100000751167 [0,2,0,0,0,0|2,0,0]=4 8389 B14R1.2523 O=C(NCCO)c1ccc(cc1I)Br 527a_100000210304_100000751167 [0,2,0,0,0,0|2,0,0]=4 8390 B14R1.2523 O=C(NCCO)c1ccc(cc1I)Cl 240690a_100000210304_100000739380 [0,2,0,0,0,0|2,0,0]=4 8391 B14R1.2523 O=C(NCCO)c1ccc(cc1I)Cl 527a_100000210304_100000739380 [0,2,0,0,0,0|2,0,0]=4 8392 B14R1.2523 O=C(NCCO)c1ccc(cc1I)F 240690a_100000210304_100000739341 [0,2,0,0,0,0|2,0,0]=4 8393 B14R1.2523 O=C(NCCO)c1ccc(cc1I)F 527a_100000210304_100000739341 [0,2,0,0,0,0|2,0,0]=4 8394 B14R1.2523 O=C(NCCO)c1ccc(cc1O)Br 240690a_100000210304_100000744433 [0,2,0,0,0,0|2,0,0]=4 8395 B14R1.2523 O=C(NCCO)c1ccc(cc1O)Br 527a_100000210304_100000744433 [0,2,0,0,0,0|2,0,0]=4 8396 B14R1.2523 O=C(NCCO)c1ccc(cc1O)Cl 240690a_100000210304_100000188622 [0,2,0,0,0,0|2,0,0]=4 8397 B14R1.2523 O=C(NCCO)c1ccc(cc1O)Cl 527a_100000210304_100000188622 [0,2,0,0,0,0|2,0,0]=4 8398 B14R1.2523 O=C(NCCO)c1ccc(cc1O)F 240690a_100000210304_100000746061 [0,2,0,0,0,0|2,0,0]=4 8399 B14R1.2523 O=C(NCCO)c1ccc(cc1O)F 527a_100000210304_100000746061 [0,2,0,0,0,0|2,0,0]=4 8400 B14R1.2523 O=C(NCCO)c1ccc(cc1O)I 240690a_100000210304_100000091984 [0,2,0,0,0,0|2,0,0]=4 8401 B14R1.2523 O=C(NCCO)c1ccc(cc1O)I 527a_100000210304_100000091984 [0,2,0,0,0,0|2,0,0]=4 8402 B14R1.2523 [13CH3]SCCC(=O)c1ccc(cc1F)Br 62a_100010339771_200025704644 [0,2,0,0,0,0|2,0,0]=4 8403 B14R1.2523 [13CH3]SCCC(=O)c1ccc(cc1F)Br 62a_200025704644_100010339771 [0,2,0,0,0,0|2,0,0]=4 8404 B14R1.2523 [13CH3]SCOC(=O)c1ccc(cc1Cl)Cl 62a_100010978946_200025704644 [0,2,0,0,0,0|1,0,0]=3 8405 B14R1.16 CCCCC(=O)c1cccc(c1Br)Br 1458a_100012360534_100000210211 [0,2,0,0,0,0|1,0,0]=3 8406 B14R1.16 CCCCC(=O)c1cccc(c1Br)C 1458a_100000692419_100000210211 [0,2,0,0,0,0|1,0,0]=3 8407 B14R1.16 CCCCC(=O)c1cccc(c1Br)Cl 1458a_100012339722_100000210211 [0,2,0,0,0,0|1,0,0]=3 8408 B14R1.16 CCCCC(=O)c1cccc(c1Br)F 1458a_100011217547_100000210211 [0,2,0,0,0,0|1,0,0]=3 8409 B14R1.16 CCCCC(=O)c1cccc(c1Br)I 1458a_100010232522_100000210211 [0,2,0,0,0,0|1,0,0]=3 8410 B14R1.16 CCCCC(=O)c1cccc(c1Br)O 1458a_100010230362_100000210211 [0,2,0,0,0,0|1,0,0]=3 8411 B14R1.16 CCCCC(=O)c1cccc(c1C)Br 1458a_100000760464_100000210211 [0,2,0,0,0,0|1,0,0]=3 8412 B14R1.16 CCCCC(=O)c1cccc(c1C)C 1458a_100000183679_100000210211 [0,2,0,0,0,0|1,0,0]=3 8413 B14R1.16 CCCCC(=O)c1cccc(c1C)Cl 1458a_100000690184_100000210211 [0,2,0,0,0,0|1,0,0]=3 8414 B14R1.16 CCCCC(=O)c1cccc(c1C)F 1458a_100011218272_100000210211 [0,2,0,0,0,0|1,0,0]=3 8415 B14R1.16 CCCCC(=O)c1cccc(c1C)I 1458a_100000751865_100000210211 [0,2,0,0,0,0|1,0,0]=3 8416 B14R1.16 CCCCC(=O)c1cccc(c1C)O 1458a_100000766327_100000210211 [0,2,0,0,0,0|1,0,0]=3 8417 B14R1.16 CCCCC(=O)c1cccc(c1Cl)Br 1458a_100000760540_100000210211 [0,2,0,0,0,0|1,0,0]=3 8418 B14R1.16 CCCCC(=O)c1cccc(c1Cl)C 1458a_100000693142_100000210211 [0,2,0,0,0,0|1,0,0]=3 8419 B14R1.16 CCCCC(=O)c1cccc(c1Cl)Cl 1458a_100000183631_100000210211 [0,2,0,0,0,0|1,0,0]=3 8420 B14R1.16 CCCCC(=O)c1cccc(c1Cl)F 1458a_100000759904_100000210211 [0,2,0,0,0,0|1,0,0]=3 8421 B14R1.16 CCCCC(=O)c1cccc(c1Cl)I 1458a_100010176783_100000210211 [0,2,0,0,0,0|1,0,0]=3 8422 B14R1.16 CCCCC(=O)c1cccc(c1Cl)O 1458a_100000092362_100000210211 [0,2,0,0,0,0|1,0,0]=3 8423 B14R1.16 CCCCC(=O)c1cccc(c1F)Br 1458a_100000756403_100000210211 [0,2,0,0,0,0|1,0,0]=3 8424 B14R1.16 CCCCC(=O)c1cccc(c1F)C 1458a_100000766181_100000210211 [0,2,0,0,0,0|1,0,0]=3 8425 B14R1.16 CCCCC(=O)c1cccc(c1F)Cl 1458a_100000688816_100000210211 [0,2,0,0,0,0|1,0,0]=3 8426 B14R1.16 CCCCC(=O)c1cccc(c1F)F 1458a_100000748134_100000210211 [0,2,0,0,0,0|1,0,0]=3 8427 B14R1.16 CCCCC(=O)c1cccc(c1F)I 1458a_100010185205_100000210211 [0,2,0,0,0,0|1,0,0]=3 8428 B14R1.16 CCCCC(=O)c1cccc(c1F)O 1458a_100000037433_100000210211 [0,2,0,0,0,0|1,0,0]=3 8429 B14R1.16 CCCCC(=O)c1cccc(c1I)Br 1458a_100000688019_100000210211 [0,2,0,0,0,0|1,0,0]=3 8430 B14R1.16 CCCCC(=O)c1cccc(c1I)C 1458a_100000739377_100000210211 [0,2,0,0,0,0|1,0,0]=3 8431 B14R1.16 CCCCC(=O)c1cccc(c1I)Cl 1458a_100010176784_100000210211 [0,2,0,0,0,0|1,0,0]=3 8432 B14R1.16 CCCCC(=O)c1cccc(c1I)F 1458a_100000690930_100000210211 [0,2,0,0,0,0|1,0,0]=3 8433 B14R1.16 CCCCC(=O)c1cccc(c1I)O 1458a_100010084636_100000210211 [0,2,0,0,0,0|1,0,0]=3 8434 B14R1.16 CCCCC(=O)c1cccc(c1O)Br 1458a_100000752940_100000210211 [0,2,0,0,0,0|1,0,0]=3 8435 B14R1.16 CCCCC(=O)c1cccc(c1O)C 1458a_100000183896_100000210211 [0,2,0,0,0,0|1,0,0]=3 8436 B14R1.16 CCCCC(=O)c1cccc(c1O)Cl 1458a_100000742801_100000210211 [0,2,0,0,0,0|1,0,0]=3 8437 B14R1.16 CCCCC(=O)c1cccc(c1O)F 1458a_100011217230_100000210211 [0,2,0,0,0,0|1,0,0]=3 8438 B14R1.16 CCCCC(=O)c1cccc(c1O)O 1458a_100000690420_100000210211 [0,2,0,0,0,0|1,0,0]=3 8439 B14R1.16 CCCNC(=O)c1cccc(c1Br)Br 11a_100020643023_100012360534 [0,2,0,0,0,0|1,0,0]=3 8440 B14R1.16 CCCNC(=O)c1cccc(c1Br)Br 1626a_100020643023_100012360534 [0,2,0,0,0,0|1,0,0]=3 8441 B14R1.16 CCCNC(=O)c1cccc(c1Br)Br 240690a_100020643023_100012360534 [0,2,0,0,0,0|1,0,0]=3 8442 B14R1.16 CCCNC(=O)c1cccc(c1Br)Br 527a_100020643023_100012360534 [0,2,0,0,0,0|1,0,0]=3 8443 B14R1.16 CCCNC(=O)c1cccc(c1Br)C 11a_100020643023_100000692419 [0,2,0,0,0,0|1,0,0]=3 8444 B14R1.16 CCCNC(=O)c1cccc(c1Br)C 1626a_100020643023_100000692419 [0,2,0,0,0,0|1,0,0]=3 8445 B14R1.16 CCCNC(=O)c1cccc(c1Br)C 240690a_100020643023_100000692419 [0,2,0,0,0,0|1,0,0]=3 8446 B14R1.16 CCCNC(=O)c1cccc(c1Br)C 527a_100020643023_100000692419 [0,2,0,0,0,0|1,0,0]=3 8447 B14R1.16 CCCNC(=O)c1cccc(c1Br)Cl 11a_100020643023_100012339722 [0,2,0,0,0,0|1,0,0]=3 8448 B14R1.16 CCCNC(=O)c1cccc(c1Br)Cl 1626a_100020643023_100012339722 [0,2,0,0,0,0|1,0,0]=3 8449 B14R1.16 CCCNC(=O)c1cccc(c1Br)Cl 240690a_100020643023_100012339722 [0,2,0,0,0,0|1,0,0]=3 8450 B14R1.16 CCCNC(=O)c1cccc(c1Br)Cl 527a_100020643023_100012339722 [0,2,0,0,0,0|1,0,0]=3 8451 B14R1.16 CCCNC(=O)c1cccc(c1Br)F 11a_100020643023_100011217547 [0,2,0,0,0,0|1,0,0]=3 8452 B14R1.16 CCCNC(=O)c1cccc(c1Br)F 1626a_100020643023_100011217547 [0,2,0,0,0,0|1,0,0]=3 8453 B14R1.16 CCCNC(=O)c1cccc(c1Br)F 240690a_100020643023_100011217547 [0,2,0,0,0,0|1,0,0]=3 8454 B14R1.16 CCCNC(=O)c1cccc(c1Br)F 527a_100020643023_100011217547 [0,2,0,0,0,0|1,0,0]=3 8455 B14R1.16 CCCNC(=O)c1cccc(c1Br)I 11a_100020643023_100010232522 [0,2,0,0,0,0|1,0,0]=3 8456 B14R1.16 CCCNC(=O)c1cccc(c1Br)I 1626a_100020643023_100010232522 [0,2,0,0,0,0|1,0,0]=3 8457 B14R1.16 CCCNC(=O)c1cccc(c1Br)I 240690a_100020643023_100010232522 [0,2,0,0,0,0|1,0,0]=3 8458 B14R1.16 CCCNC(=O)c1cccc(c1Br)I 527a_100020643023_100010232522 [0,2,0,0,0,0|1,0,0]=3 8459 B14R1.16 CCCNC(=O)c1cccc(c1Br)O 240690a_100020643023_100010230362 [0,2,0,0,0,0|1,0,0]=3 8460 B14R1.16 CCCNC(=O)c1cccc(c1Br)O 527a_100020643023_100010230362 [0,2,0,0,0,0|1,0,0]=3 8461 B14R1.16 CCCNC(=O)c1cccc(c1C)Br 11a_100020643023_100000760464 [0,2,0,0,0,0|1,0,0]=3 8462 B14R1.16 CCCNC(=O)c1cccc(c1C)Br 1626a_100020643023_100000760464 [0,2,0,0,0,0|1,0,0]=3 8463 B14R1.16 CCCNC(=O)c1cccc(c1C)Br 240690a_100020643023_100000760464 [0,2,0,0,0,0|1,0,0]=3 8464 B14R1.16 CCCNC(=O)c1cccc(c1C)Br 527a_100020643023_100000760464 [0,2,0,0,0,0|1,0,0]=3 8465 B14R1.16 CCCNC(=O)c1cccc(c1C)C 11a_100020643023_100000183679 [0,2,0,0,0,0|1,0,0]=3 8466 B14R1.16 CCCNC(=O)c1cccc(c1C)C 1626a_100020643023_100000183679 [0,2,0,0,0,0|1,0,0]=3 8467 B14R1.16 CCCNC(=O)c1cccc(c1C)C 240690a_100020643023_100000183679 [0,2,0,0,0,0|1,0,0]=3 8468 B14R1.16 CCCNC(=O)c1cccc(c1C)C 527a_100020643023_100000183679 [0,2,0,0,0,0|1,0,0]=3 8469 B14R1.16 CCCNC(=O)c1cccc(c1C)Cl 11a_100020643023_100000690184 [0,2,0,0,0,0|1,0,0]=3 8470 B14R1.16 CCCNC(=O)c1cccc(c1C)Cl 1626a_100020643023_100000690184 [0,2,0,0,0,0|1,0,0]=3 8471 B14R1.16 CCCNC(=O)c1cccc(c1C)Cl 240690a_100020643023_100000690184 [0,2,0,0,0,0|1,0,0]=3 8472 B14R1.16 CCCNC(=O)c1cccc(c1C)Cl 527a_100020643023_100000690184 [0,2,0,0,0,0|1,0,0]=3 8473 B14R1.16 CCCNC(=O)c1cccc(c1C)F 11a_100020643023_100011218272 [0,2,0,0,0,0|1,0,0]=3 8474 B14R1.16 CCCNC(=O)c1cccc(c1C)F 1626a_100020643023_100011218272 [0,2,0,0,0,0|1,0,0]=3 8475 B14R1.16 CCCNC(=O)c1cccc(c1C)F 240690a_100020643023_100011218272 [0,2,0,0,0,0|1,0,0]=3 8476 B14R1.16 CCCNC(=O)c1cccc(c1C)F 527a_100020643023_100011218272 [0,2,0,0,0,0|1,0,0]=3 8477 B14R1.16 CCCNC(=O)c1cccc(c1C)I 11a_100020643023_100000751865 [0,2,0,0,0,0|1,0,0]=3 8478 B14R1.16 CCCNC(=O)c1cccc(c1C)I 1626a_100020643023_100000751865 [0,2,0,0,0,0|1,0,0]=3 8479 B14R1.16 CCCNC(=O)c1cccc(c1C)I 240690a_100020643023_100000751865 [0,2,0,0,0,0|1,0,0]=3 8480 B14R1.16 CCCNC(=O)c1cccc(c1C)I 527a_100020643023_100000751865 [0,2,0,0,0,0|1,0,0]=3 8481 B14R1.16 CCCNC(=O)c1cccc(c1C)O 240690a_100020643023_100000766327 [0,2,0,0,0,0|1,0,0]=3 8482 B14R1.16 CCCNC(=O)c1cccc(c1C)O 527a_100020643023_100000766327 [0,2,0,0,0,0|1,0,0]=3 8483 B14R1.16 CCCNC(=O)c1cccc(c1Cl)Br 11a_100020643023_100000760540 [0,2,0,0,0,0|1,0,0]=3 8484 B14R1.16 CCCNC(=O)c1cccc(c1Cl)Br 1626a_100020643023_100000760540 [0,2,0,0,0,0|1,0,0]=3 8485 B14R1.16 CCCNC(=O)c1cccc(c1Cl)Br 240690a_100020643023_100000760540 [0,2,0,0,0,0|1,0,0]=3 8486 B14R1.16 CCCNC(=O)c1cccc(c1Cl)Br 527a_100020643023_100000760540 [0,2,0,0,0,0|1,0,0]=3 8487 B14R1.16 CCCNC(=O)c1cccc(c1Cl)C 11a_100020643023_100000693142 [0,2,0,0,0,0|1,0,0]=3 8488 B14R1.16 CCCNC(=O)c1cccc(c1Cl)C 1626a_100020643023_100000693142 [0,2,0,0,0,0|1,0,0]=3 8489 B14R1.16 CCCNC(=O)c1cccc(c1Cl)C 240690a_100020643023_100000693142 [0,2,0,0,0,0|1,0,0]=3 8490 B14R1.16 CCCNC(=O)c1cccc(c1Cl)C 527a_100020643023_100000693142 [0,2,0,0,0,0|1,0,0]=3 8491 B14R1.16 CCCNC(=O)c1cccc(c1Cl)Cl 11a_100020643023_100000183631 [0,2,0,0,0,0|1,0,0]=3 8492 B14R1.16 CCCNC(=O)c1cccc(c1Cl)Cl 1626a_100020643023_100000183631 [0,2,0,0,0,0|1,0,0]=3 8493 B14R1.16 CCCNC(=O)c1cccc(c1Cl)Cl 240690a_100020643023_100000183631 [0,2,0,0,0,0|1,0,0]=3 8494 B14R1.16 CCCNC(=O)c1cccc(c1Cl)Cl 527a_100020643023_100000183631 [0,2,0,0,0,0|1,0,0]=3 8495 B14R1.16 CCCNC(=O)c1cccc(c1Cl)F 11a_100020643023_100000759904 [0,2,0,0,0,0|1,0,0]=3 8496 B14R1.16 CCCNC(=O)c1cccc(c1Cl)F 1626a_100020643023_100000759904 [0,2,0,0,0,0|1,0,0]=3 8497 B14R1.16 CCCNC(=O)c1cccc(c1Cl)F 240690a_100020643023_100000759904 [0,2,0,0,0,0|1,0,0]=3 8498 B14R1.16 CCCNC(=O)c1cccc(c1Cl)F 527a_100020643023_100000759904 [0,2,0,0,0,0|1,0,0]=3 8499 B14R1.16 CCCNC(=O)c1cccc(c1Cl)I 11a_100020643023_100010176783 [0,2,0,0,0,0|1,0,0]=3 8500 B14R1.16 CCCNC(=O)c1cccc(c1Cl)I 1626a_100020643023_100010176783 [0,2,0,0,0,0|1,0,0]=3 8501 B14R1.16 CCCNC(=O)c1cccc(c1Cl)I 240690a_100020643023_100010176783 [0,2,0,0,0,0|1,0,0]=3 8502 B14R1.16 CCCNC(=O)c1cccc(c1Cl)I 527a_100020643023_100010176783 [0,2,0,0,0,0|1,0,0]=3 8503 B14R1.16 CCCNC(=O)c1cccc(c1Cl)O 240690a_100020643023_100000092362 [0,2,0,0,0,0|1,0,0]=3 8504 B14R1.16 CCCNC(=O)c1cccc(c1Cl)O 527a_100020643023_100000092362 [0,2,0,0,0,0|1,0,0]=3 8505 B14R1.16 CCCNC(=O)c1cccc(c1F)Br 11a_100020643023_100000756403 [0,2,0,0,0,0|1,0,0]=3 8506 B14R1.16 CCCNC(=O)c1cccc(c1F)Br 1626a_100020643023_100000756403 [0,2,0,0,0,0|1,0,0]=3 8507 B14R1.16 CCCNC(=O)c1cccc(c1F)Br 240690a_100020643023_100000756403 [0,2,0,0,0,0|1,0,0]=3 8508 B14R1.16 CCCNC(=O)c1cccc(c1F)Br 527a_100020643023_100000756403 [0,2,0,0,0,0|1,0,0]=3 8509 B14R1.16 CCCNC(=O)c1cccc(c1F)C 11a_100020643023_100000766181 [0,2,0,0,0,0|1,0,0]=3 8510 B14R1.16 CCCNC(=O)c1cccc(c1F)C 1626a_100020643023_100000766181 [0,2,0,0,0,0|1,0,0]=3 8511 B14R1.16 CCCNC(=O)c1cccc(c1F)C 240690a_100020643023_100000766181 [0,2,0,0,0,0|1,0,0]=3 8512 B14R1.16 CCCNC(=O)c1cccc(c1F)C 527a_100020643023_100000766181 [0,2,0,0,0,0|1,0,0]=3 8513 B14R1.16 CCCNC(=O)c1cccc(c1F)Cl 11a_100020643023_100000688816 [0,2,0,0,0,0|1,0,0]=3 8514 B14R1.16 CCCNC(=O)c1cccc(c1F)Cl 1626a_100020643023_100000688816 [0,2,0,0,0,0|1,0,0]=3 8515 B14R1.16 CCCNC(=O)c1cccc(c1F)Cl 240690a_100020643023_100000688816 [0,2,0,0,0,0|1,0,0]=3 8516 B14R1.16 CCCNC(=O)c1cccc(c1F)Cl 527a_100020643023_100000688816 [0,2,0,0,0,0|1,0,0]=3 8517 B14R1.16 CCCNC(=O)c1cccc(c1F)F 11a_100020643023_100000748134 [0,2,0,0,0,0|1,0,0]=3 8518 B14R1.16 CCCNC(=O)c1cccc(c1F)F 1626a_100020643023_100000748134 [0,2,0,0,0,0|1,0,0]=3 8519 B14R1.16 CCCNC(=O)c1cccc(c1F)F 240690a_100020643023_100000748134 [0,2,0,0,0,0|1,0,0]=3 8520 B14R1.16 CCCNC(=O)c1cccc(c1F)F 527a_100020643023_100000748134 [0,2,0,0,0,0|1,0,0]=3 8521 B14R1.16 CCCNC(=O)c1cccc(c1F)I 11a_100020643023_100010185205 [0,2,0,0,0,0|1,0,0]=3 8522 B14R1.16 CCCNC(=O)c1cccc(c1F)I 1626a_100020643023_100010185205 [0,2,0,0,0,0|1,0,0]=3 8523 B14R1.16 CCCNC(=O)c1cccc(c1F)I 240690a_100020643023_100010185205 [0,2,0,0,0,0|1,0,0]=3 8524 B14R1.16 CCCNC(=O)c1cccc(c1F)I 527a_100020643023_100010185205 [0,2,0,0,0,0|1,0,0]=3 8525 B14R1.16 CCCNC(=O)c1cccc(c1F)O 240690a_100020643023_100000037433 [0,2,0,0,0,0|1,0,0]=3 8526 B14R1.16 CCCNC(=O)c1cccc(c1F)O 527a_100020643023_100000037433 [0,2,0,0,0,0|1,0,0]=3 8527 B14R1.16 CCCNC(=O)c1cccc(c1I)Br 11a_100020643023_100000688019 [0,2,0,0,0,0|1,0,0]=3 8528 B14R1.16 CCCNC(=O)c1cccc(c1I)Br 1626a_100020643023_100000688019 [0,2,0,0,0,0|1,0,0]=3 8529 B14R1.16 CCCNC(=O)c1cccc(c1I)Br 240690a_100020643023_100000688019 [0,2,0,0,0,0|1,0,0]=3 8530 B14R1.16 CCCNC(=O)c1cccc(c1I)Br 527a_100020643023_100000688019 [0,2,0,0,0,0|1,0,0]=3 8531 B14R1.16 CCCNC(=O)c1cccc(c1I)C 11a_100020643023_100000739377 [0,2,0,0,0,0|1,0,0]=3 8532 B14R1.16 CCCNC(=O)c1cccc(c1I)C 1626a_100020643023_100000739377 [0,2,0,0,0,0|1,0,0]=3 8533 B14R1.16 CCCNC(=O)c1cccc(c1I)C 240690a_100020643023_100000739377 [0,2,0,0,0,0|1,0,0]=3 8534 B14R1.16 CCCNC(=O)c1cccc(c1I)C 527a_100020643023_100000739377 [0,2,0,0,0,0|1,0,0]=3 8535 B14R1.16 CCCNC(=O)c1cccc(c1I)Cl 11a_100020643023_100010176784 [0,2,0,0,0,0|1,0,0]=3 8536 B14R1.16 CCCNC(=O)c1cccc(c1I)Cl 1626a_100020643023_100010176784 [0,2,0,0,0,0|1,0,0]=3 8537 B14R1.16 CCCNC(=O)c1cccc(c1I)Cl 240690a_100020643023_100010176784 [0,2,0,0,0,0|1,0,0]=3 8538 B14R1.16 CCCNC(=O)c1cccc(c1I)Cl 527a_100020643023_100010176784 [0,2,0,0,0,0|1,0,0]=3 8539 B14R1.16 CCCNC(=O)c1cccc(c1I)F 11a_100020643023_100000690930 [0,2,0,0,0,0|1,0,0]=3 8540 B14R1.16 CCCNC(=O)c1cccc(c1I)F 1626a_100020643023_100000690930 [0,2,0,0,0,0|1,0,0]=3 8541 B14R1.16 CCCNC(=O)c1cccc(c1I)F 240690a_100020643023_100000690930 [0,2,0,0,0,0|1,0,0]=3 8542 B14R1.16 CCCNC(=O)c1cccc(c1I)F 527a_100020643023_100000690930 [0,2,0,0,0,0|1,0,0]=3 8543 B14R1.16 CCCNC(=O)c1cccc(c1I)O 527a_100020643023_100010084636 [0,2,0,0,0,0|1,0,0]=3 8544 B14R1.16 CCCNC(=O)c1cccc(c1O)Br 240690a_100020643023_100000752940 [0,2,0,0,0,0|1,0,0]=3 8545 B14R1.16 CCCNC(=O)c1cccc(c1O)Br 527a_100020643023_100000752940 [0,2,0,0,0,0|1,0,0]=3 8546 B14R1.16 CCCNC(=O)c1cccc(c1O)C 240690a_100020643023_100000183896 [0,2,0,0,0,0|1,0,0]=3 8547 B14R1.16 CCCNC(=O)c1cccc(c1O)C 527a_100020643023_100000183896 [0,2,0,0,0,0|1,0,0]=3 8548 B14R1.16 CCCNC(=O)c1cccc(c1O)Cl 240690a_100020643023_100000742801 [0,2,0,0,0,0|1,0,0]=3 8549 B14R1.16 CCCNC(=O)c1cccc(c1O)Cl 527a_100020643023_100000742801 [0,2,0,0,0,0|1,0,0]=3 8550 B14R1.16 CCCNC(=O)c1cccc(c1O)F 240690a_100020643023_100011217230 [0,2,0,0,0,0|1,0,0]=3 8551 B14R1.16 CCCNC(=O)c1cccc(c1O)F 527a_100020643023_100011217230 [0,2,0,0,0,0|1,0,0]=3 8552 B14R1.16 CCCNC(=O)c1cccc(c1O)O 527a_100020643023_100000690420 [0,2,0,0,0,0|1,0,0]=3 8553 B14R1.16 CCCOC(C)c1cccc(c1C)C 34a_100000210258_100012183177 [0,2,0,0,0,0|1,0,1]=4 8554 B14R1.16 CCCOC(C)c1cccc(c1F)Br 34a_200012356376_100000210303 [0,2,0,0,0,0|1,0,1]=4 8555 B14R1.16 CCCOC(C)c1cccc(c1F)Br 7a_200012356376_100000210303 [0,2,0,0,0,0|1,0,1]=4 8556 B14R1.16 CCCOC(C)c1cccc(c1F)F 34a_100011944069_100000210303 [0,2,0,0,0,0|1,0,1]=4 8557 B14R1.16 CCCOC(C)c1cccc(c1F)F 7a_100011944069_100000210303 [0,2,0,0,0,0|1,0,1]=4 8558 B14R1.16 CCNCC(=O)c1cccc(c1F)Br 2230a_100015525214_100012356374 [0,2,0,0,0,0|2,0,0]=4 8559 B14R1.16 CCNCC(=O)c1cccc(c1F)Cl 2230a_100015525214_200012351890 [0,2,0,0,0,0|2,0,0]=4 8560 B14R1.16 CCNNC(=O)c1cccc(c1Br)Br 22a_100000756455_100012360534 [0,2,0,0,0,0|2,0,0]=4 8561 B14R1.16 CCNNC(=O)c1cccc(c1Br)C 22a_100000756455_100000692419 [0,2,0,0,0,0|2,0,0]=4 8562 B14R1.16 CCNNC(=O)c1cccc(c1Br)Cl 22a_100000756455_100012339722 [0,2,0,0,0,0|2,0,0]=4 8563 B14R1.16 CCNNC(=O)c1cccc(c1Br)F 22a_100000756455_100011217547 [0,2,0,0,0,0|2,0,0]=4 8564 B14R1.16 CCNNC(=O)c1cccc(c1Br)I 22a_100000756455_100010232522 [0,2,0,0,0,0|2,0,0]=4 8565 B14R1.16 CCNNC(=O)c1cccc(c1Br)O 22a_100000756455_100010230362 [0,2,0,0,0,0|2,0,0]=4 8566 B14R1.16 CCNNC(=O)c1cccc(c1C)Br 22a_100000756455_100000760464 [0,2,0,0,0,0|2,0,0]=4 8567 B14R1.16 CCNNC(=O)c1cccc(c1C)C 22a_100000756455_100000183679 [0,2,0,0,0,0|2,0,0]=4 8568 B14R1.16 CCNNC(=O)c1cccc(c1C)Cl 22a_100000756455_100000690184 [0,2,0,0,0,0|2,0,0]=4 8569 B14R1.16 CCNNC(=O)c1cccc(c1C)F 22a_100000756455_100011218272 [0,2,0,0,0,0|2,0,0]=4 8570 B14R1.16 CCNNC(=O)c1cccc(c1C)I 22a_100000756455_100000751865 [0,2,0,0,0,0|2,0,0]=4 8571 B14R1.16 CCNNC(=O)c1cccc(c1C)O 22a_100000756455_100000766327 [0,2,0,0,0,0|2,0,0]=4 8572 B14R1.16 CCNNC(=O)c1cccc(c1Cl)Br 22a_100000756455_100000760540 [0,2,0,0,0,0|2,0,0]=4 8573 B14R1.16 CCNNC(=O)c1cccc(c1Cl)C 22a_100000756455_100000693142 [0,2,0,0,0,0|2,0,0]=4 8574 B14R1.16 CCNNC(=O)c1cccc(c1Cl)Cl 22a_100000756455_100000183631 [0,2,0,0,0,0|2,0,0]=4 8575 B14R1.16 CCNNC(=O)c1cccc(c1Cl)F 22a_100000756455_100000759904 [0,2,0,0,0,0|2,0,0]=4 8576 B14R1.16 CCNNC(=O)c1cccc(c1Cl)I 22a_100000756455_100010176783 [0,2,0,0,0,0|2,0,0]=4 8577 B14R1.16 CCNNC(=O)c1cccc(c1Cl)O 22a_100000756455_100000092362 [0,2,0,0,0,0|2,0,0]=4 8578 B14R1.16 CCNNC(=O)c1cccc(c1F)Br 22a_100000756455_100000756403 [0,2,0,0,0,0|2,0,0]=4 8579 B14R1.16 CCNNC(=O)c1cccc(c1F)C 22a_100000756455_100000766181 [0,2,0,0,0,0|2,0,0]=4 8580 B14R1.16 CCNNC(=O)c1cccc(c1F)Cl 22a_100000756455_100000688816 [0,2,0,0,0,0|2,0,0]=4 8581 B14R1.16 CCNNC(=O)c1cccc(c1F)F 22a_100000756455_100000748134 [0,2,0,0,0,0|2,0,0]=4 8582 B14R1.16 CCNNC(=O)c1cccc(c1F)I 22a_100000756455_100010185205 [0,2,0,0,0,0|2,0,0]=4 8583 B14R1.16 CCNNC(=O)c1cccc(c1F)O 22a_100000756455_100000037433 [0,2,0,0,0,0|2,0,0]=4 8584 B14R1.16 CCNNC(=O)c1cccc(c1I)Br 22a_100000756455_100000688019 [0,2,0,0,0,0|2,0,0]=4 8585 B14R1.16 CCNNC(=O)c1cccc(c1I)C 22a_100000756455_100000739377 [0,2,0,0,0,0|2,0,0]=4 8586 B14R1.16 CCNNC(=O)c1cccc(c1I)Cl 22a_100000756455_100010176784 [0,2,0,0,0,0|2,0,0]=4 8587 B14R1.16 CCNNC(=O)c1cccc(c1I)F 22a_100000756455_100000690930 [0,2,0,0,0,0|2,0,0]=4 8588 B14R1.16 CCNNC(=O)c1cccc(c1I)O 22a_100000756455_100010084636 [0,2,0,0,0,0|2,0,0]=4 8589 B14R1.16 CCNNC(=O)c1cccc(c1O)Br 22a_100000756455_100000752940 [0,2,0,0,0,0|2,0,0]=4 8590 B14R1.16 CCNNC(=O)c1cccc(c1O)C 22a_100000756455_100000183896 [0,2,0,0,0,0|2,0,0]=4 8591 B14R1.16 CCNNC(=O)c1cccc(c1O)Cl 22a_100000756455_100000742801 [0,2,0,0,0,0|2,0,0]=4 8592 B14R1.16 CCNNC(=O)c1cccc(c1O)F 22a_100000756455_100011217230 [0,2,0,0,0,0|2,0,0]=4 8593 B14R1.16 CCNNC(=O)c1cccc(c1O)O 22a_100000756455_100000690420 [0,2,0,0,0,0|2,0,0]=4 8594 B14R1.16 CCOCC(=O)c1cccc(c1C)I 34a_100121572206_100160470822 [0,2,0,0,0,0|2,0,0]=4 8595 B14R1.16 CCOCC(=O)c1cccc(c1F)Br 34a_100121572206_100012356374 [0,2,0,0,0,0|2,0,0]=4 8596 B14R1.16 CCOCC(=O)c1cccc(c1F)Cl 34a_100121572206_200012351890 [0,2,0,0,0,0|2,0,0]=4 8597 B14R1.16 CCSCC(=O)c1cccc(c1C)I 62a_100000210202_100160470822 [0,2,0,0,0,0|2,0,0]=4 8598 B14R1.16 CCSCC(=O)c1cccc(c1C)I 62a_100160470822_100000210202 [0,2,0,0,0,0|2,0,0]=4 8599 B14R1.16 CCSCC(=O)c1cccc(c1F)Br 62a_100000210202_100012356374 [0,2,0,0,0,0|2,0,0]=4 8600 B14R1.16 CCSCC(=O)c1cccc(c1F)Br 62a_100012356374_100000210202 [0,2,0,0,0,0|2,0,0]=4 8601 B14R1.16 CCSCC(=O)c1cccc(c1F)Cl 62a_100000210202_200012351890 [0,2,0,0,0,0|2,0,0]=4 8602 B14R1.16 CCSCC(=O)c1cccc(c1F)Cl 62a_200012351890_100000210202 [0,2,0,0,0,0|2,0,0]=4 8603 B14R1.16 COCCC(=O)c1cccc(c1Br)Br 1458a_100012360534_100000233755 [0,2,0,0,0,0|2,0,0]=4 8604 B14R1.16 COCCC(=O)c1cccc(c1Br)C 1458a_100000692419_100000233755 [0,2,0,0,0,0|2,0,0]=4 8605 B14R1.16 COCCC(=O)c1cccc(c1Br)Cl 1458a_100012339722_100000233755 [0,2,0,0,0,0|2,0,0]=4 8606 B14R1.16 COCCC(=O)c1cccc(c1Br)F 1458a_100011217547_100000233755 [0,2,0,0,0,0|2,0,0]=4 8607 B14R1.16 COCCC(=O)c1cccc(c1Br)I 1458a_100010232522_100000233755 [0,2,0,0,0,0|2,0,0]=4 8608 B14R1.16 COCCC(=O)c1cccc(c1Br)O 1458a_100010230362_100000233755 [0,2,0,0,0,0|2,0,0]=4 8609 B14R1.16 COCCC(=O)c1cccc(c1C)Br 1458a_100000760464_100000233755 [0,2,0,0,0,0|2,0,0]=4 8610 B14R1.16 COCCC(=O)c1cccc(c1C)C 1458a_100000183679_100000233755 [0,2,0,0,0,0|2,0,0]=4 8611 B14R1.16 COCCC(=O)c1cccc(c1C)Cl 1458a_100000690184_100000233755 [0,2,0,0,0,0|2,0,0]=4 8612 B14R1.16 COCCC(=O)c1cccc(c1C)F 1458a_100011218272_100000233755 [0,2,0,0,0,0|2,0,0]=4 8613 B14R1.16 COCCC(=O)c1cccc(c1C)I 1458a_100000751865_100000233755 [0,2,0,0,0,0|2,0,0]=4 8614 B14R1.16 COCCC(=O)c1cccc(c1C)O 1458a_100000766327_100000233755 [0,2,0,0,0,0|2,0,0]=4 8615 B14R1.16 COCCC(=O)c1cccc(c1Cl)Br 1458a_100000760540_100000233755 [0,2,0,0,0,0|2,0,0]=4 8616 B14R1.16 COCCC(=O)c1cccc(c1Cl)C 1458a_100000693142_100000233755 [0,2,0,0,0,0|2,0,0]=4 8617 B14R1.16 COCCC(=O)c1cccc(c1Cl)Cl 1458a_100000183631_100000233755 [0,2,0,0,0,0|2,0,0]=4 8618 B14R1.16 COCCC(=O)c1cccc(c1Cl)F 1458a_100000759904_100000233755 [0,2,0,0,0,0|2,0,0]=4 8619 B14R1.16 COCCC(=O)c1cccc(c1Cl)I 1458a_100010176783_100000233755 [0,2,0,0,0,0|2,0,0]=4 8620 B14R1.16 COCCC(=O)c1cccc(c1Cl)O 1458a_100000092362_100000233755 [0,2,0,0,0,0|2,0,0]=4 8621 B14R1.16 COCCC(=O)c1cccc(c1F)Br 1458a_100000756403_100000233755 [0,2,0,0,0,0|2,0,0]=4 8622 B14R1.16 COCCC(=O)c1cccc(c1F)C 1458a_100000766181_100000233755 [0,2,0,0,0,0|2,0,0]=4 8623 B14R1.16 COCCC(=O)c1cccc(c1F)Cl 1458a_100000688816_100000233755 [0,2,0,0,0,0|2,0,0]=4 8624 B14R1.16 COCCC(=O)c1cccc(c1F)F 1458a_100000748134_100000233755 [0,2,0,0,0,0|2,0,0]=4 8625 B14R1.16 COCCC(=O)c1cccc(c1F)I 1458a_100010185205_100000233755 [0,2,0,0,0,0|2,0,0]=4 8626 B14R1.16 COCCC(=O)c1cccc(c1F)O 1458a_100000037433_100000233755 [0,2,0,0,0,0|2,0,0]=4 8627 B14R1.16 COCCC(=O)c1cccc(c1I)Br 1458a_100000688019_100000233755 [0,2,0,0,0,0|2,0,0]=4 8628 B14R1.16 COCCC(=O)c1cccc(c1I)C 1458a_100000739377_100000233755 [0,2,0,0,0,0|2,0,0]=4 8629 B14R1.16 COCCC(=O)c1cccc(c1I)Cl 1458a_100010176784_100000233755 [0,2,0,0,0,0|2,0,0]=4 8630 B14R1.16 COCCC(=O)c1cccc(c1I)F 1458a_100000690930_100000233755 [0,2,0,0,0,0|2,0,0]=4 8631 B14R1.16 COCCC(=O)c1cccc(c1I)O 1458a_100010084636_100000233755 [0,2,0,0,0,0|2,0,0]=4 8632 B14R1.16 COCCC(=O)c1cccc(c1O)Br 1458a_100000752940_100000233755 [0,2,0,0,0,0|2,0,0]=4 8633 B14R1.16 COCCC(=O)c1cccc(c1O)C 1458a_100000183896_100000233755 [0,2,0,0,0,0|2,0,0]=4 8634 B14R1.16 COCCC(=O)c1cccc(c1O)Cl 1458a_100000742801_100000233755 [0,2,0,0,0,0|2,0,0]=4 8635 B14R1.16 COCCC(=O)c1cccc(c1O)F 1458a_100011217230_100000233755 [0,2,0,0,0,0|2,0,0]=4 8636 B14R1.16 COCCC(=O)c1cccc(c1O)O 1458a_100000690420_100000233755 [0,2,0,0,0,0|2,0,0]=4 8637 B14R1.16 CSCCC(=O)c1cccc(c1Br)Br 1458a_100012360534_100000751147 [0,2,0,0,0,0|2,0,0]=4 8638 B14R1.16 CSCCC(=O)c1cccc(c1Br)C 1458a_100000692419_100000751147 [0,2,0,0,0,0|2,0,0]=4 8639 B14R1.16 CSCCC(=O)c1cccc(c1Br)Cl 1458a_100012339722_100000751147 [0,2,0,0,0,0|2,0,0]=4 8640 B14R1.16 CSCCC(=O)c1cccc(c1Br)F 1458a_100011217547_100000751147 [0,2,0,0,0,0|2,0,0]=4 8641 B14R1.16 CSCCC(=O)c1cccc(c1Br)I 1458a_100010232522_100000751147 [0,2,0,0,0,0|2,0,0]=4 8642 B14R1.16 CSCCC(=O)c1cccc(c1Br)O 1458a_100010230362_100000751147 [0,2,0,0,0,0|2,0,0]=4 8643 B14R1.16 CSCCC(=O)c1cccc(c1C)Br 1458a_100000760464_100000751147 [0,2,0,0,0,0|2,0,0]=4 8644 B14R1.16 CSCCC(=O)c1cccc(c1C)C 1458a_100000183679_100000751147 [0,2,0,0,0,0|2,0,0]=4 8645 B14R1.16 CSCCC(=O)c1cccc(c1C)Cl 1458a_100000690184_100000751147 [0,2,0,0,0,0|2,0,0]=4 8646 B14R1.16 CSCCC(=O)c1cccc(c1C)F 1458a_100011218272_100000751147 [0,2,0,0,0,0|2,0,0]=4 8647 B14R1.16 CSCCC(=O)c1cccc(c1C)I 1458a_100000751865_100000751147 [0,2,0,0,0,0|2,0,0]=4 8648 B14R1.16 CSCCC(=O)c1cccc(c1C)O 1458a_100000766327_100000751147 [0,2,0,0,0,0|2,0,0]=4 8649 B14R1.16 CSCCC(=O)c1cccc(c1Cl)Br 1458a_100000760540_100000751147 [0,2,0,0,0,0|2,0,0]=4 8650 B14R1.16 CSCCC(=O)c1cccc(c1Cl)C 1458a_100000693142_100000751147 [0,2,0,0,0,0|2,0,0]=4 8651 B14R1.16 CSCCC(=O)c1cccc(c1Cl)Cl 1458a_100000183631_100000751147 [0,2,0,0,0,0|2,0,0]=4 8652 B14R1.16 CSCCC(=O)c1cccc(c1Cl)F 1458a_100000759904_100000751147 [0,2,0,0,0,0|2,0,0]=4 8653 B14R1.16 CSCCC(=O)c1cccc(c1Cl)I 1458a_100010176783_100000751147 [0,2,0,0,0,0|2,0,0]=4 8654 B14R1.16 CSCCC(=O)c1cccc(c1Cl)O 1458a_100000092362_100000751147 [0,2,0,0,0,0|2,0,0]=4 8655 B14R1.16 CSCCC(=O)c1cccc(c1F)Br 1458a_100000756403_100000751147 [0,2,0,0,0,0|2,0,0]=4 8656 B14R1.16 CSCCC(=O)c1cccc(c1F)C 1458a_100000766181_100000751147 [0,2,0,0,0,0|2,0,0]=4 8657 B14R1.16 CSCCC(=O)c1cccc(c1F)Cl 1458a_100000688816_100000751147 [0,2,0,0,0,0|2,0,0]=4 8658 B14R1.16 CSCCC(=O)c1cccc(c1F)F 1458a_100000748134_100000751147 [0,2,0,0,0,0|2,0,0]=4 8659 B14R1.16 CSCCC(=O)c1cccc(c1F)I 1458a_100010185205_100000751147 [0,2,0,0,0,0|2,0,0]=4 8660 B14R1.16 CSCCC(=O)c1cccc(c1F)O 1458a_100000037433_100000751147 [0,2,0,0,0,0|2,0,0]=4 8661 B14R1.16 CSCCC(=O)c1cccc(c1I)Br 1458a_100000688019_100000751147 [0,2,0,0,0,0|2,0,0]=4 8662 B14R1.16 CSCCC(=O)c1cccc(c1I)C 1458a_100000739377_100000751147 [0,2,0,0,0,0|2,0,0]=4 8663 B14R1.16 CSCCC(=O)c1cccc(c1I)Cl 1458a_100010176784_100000751147 [0,2,0,0,0,0|2,0,0]=4 8664 B14R1.16 CSCCC(=O)c1cccc(c1I)F 1458a_100000690930_100000751147 [0,2,0,0,0,0|2,0,0]=4 8665 B14R1.16 CSCCC(=O)c1cccc(c1I)O 1458a_100010084636_100000751147 [0,2,0,0,0,0|2,0,0]=4 8666 B14R1.16 CSCCC(=O)c1cccc(c1O)Br 1458a_100000752940_100000751147 [0,2,0,0,0,0|2,0,0]=4 8667 B14R1.16 CSCCC(=O)c1cccc(c1O)C 1458a_100000183896_100000751147 [0,2,0,0,0,0|2,0,0]=4 8668 B14R1.16 CSCCC(=O)c1cccc(c1O)Cl 1458a_100000742801_100000751147 [0,2,0,0,0,0|2,0,0]=4 8669 B14R1.16 CSCCC(=O)c1cccc(c1O)F 1458a_100011217230_100000751147 [0,2,0,0,0,0|2,0,0]=4 8670 B14R1.16 CSCCC(=O)c1cccc(c1O)O 1458a_100000690420_100000751147 [0,2,0,0,0,0|2,0,0]=4 8671 B14R1.16 Cc1c(cccc1C(=O)CCCF)Br 1458a_100000760464_100011934791 [0,2,0,0,0,0|2,0,0]=4 8672 B14R1.16 Cc1c(cccc1C(=O)CCCF)Cl 1458a_100000690184_100011934791 [0,2,0,0,0,0|2,0,0]=4 8673 B14R1.16 Cc1c(cccc1C(=O)CCCF)F 1458a_100011218272_100011934791 [0,2,0,0,0,0|2,0,0]=4 8674 B14R1.16 Cc1c(cccc1C(=O)CCCF)I 1458a_100000751865_100011934791 [0,2,0,0,0,0|2,0,0]=4 8675 B14R1.16 Cc1c(cccc1C(=O)CCCF)O 1458a_100000766327_100011934791 [0,2,0,0,0,0|2,0,0]=4 8676 B14R1.16 Cc1c(cccc1C(=O)CCCO)Br 1458a_100000760464_100011215043 [0,2,0,0,0,0|2,0,0]=4 8677 B14R1.16 Cc1c(cccc1C(=O)CCCO)Cl 1458a_100000690184_100011215043 [0,2,0,0,0,0|2,0,0]=4 8678 B14R1.16 Cc1c(cccc1C(=O)CCCO)F 1458a_100011218272_100011215043 [0,2,0,0,0,0|2,0,0]=4 8679 B14R1.16 Cc1c(cccc1C(=O)CCCO)I 1458a_100000751865_100011215043 [0,2,0,0,0,0|2,0,0]=4 8680 B14R1.16 Cc1c(cccc1C(=O)CCCO)O 1458a_100000766327_100011215043 [0,2,0,0,0,0|2,0,0]=4 8681 B14R1.16 Cc1c(cccc1C(=O)NCCF)Br 11a_100000724931_100000760464 [0,2,0,0,0,0|2,0,0]=4 8682 B14R1.16 Cc1c(cccc1C(=O)NCCF)Br 1626a_100000724931_100000760464 [0,2,0,0,0,0|2,0,0]=4 8683 B14R1.16 Cc1c(cccc1C(=O)NCCF)Br 240690a_100000724931_100000760464 [0,2,0,0,0,0|2,0,0]=4 8684 B14R1.16 Cc1c(cccc1C(=O)NCCF)Br 527a_100000724931_100000760464 [0,2,0,0,0,0|2,0,0]=4 8685 B14R1.16 Cc1c(cccc1C(=O)NCCF)Cl 11a_100000724931_100000690184 [0,2,0,0,0,0|2,0,0]=4 8686 B14R1.16 Cc1c(cccc1C(=O)NCCF)Cl 1626a_100000724931_100000690184 [0,2,0,0,0,0|2,0,0]=4 8687 B14R1.16 Cc1c(cccc1C(=O)NCCF)Cl 240690a_100000724931_100000690184 [0,2,0,0,0,0|2,0,0]=4 8688 B14R1.16 Cc1c(cccc1C(=O)NCCF)Cl 527a_100000724931_100000690184 [0,2,0,0,0,0|2,0,0]=4 8689 B14R1.16 Cc1c(cccc1C(=O)NCCF)F 11a_100000724931_100011218272 [0,2,0,0,0,0|2,0,0]=4 8690 B14R1.16 Cc1c(cccc1C(=O)NCCF)F 1626a_100000724931_100011218272 [0,2,0,0,0,0|2,0,0]=4 8691 B14R1.16 Cc1c(cccc1C(=O)NCCF)F 240690a_100000724931_100011218272 [0,2,0,0,0,0|2,0,0]=4 8692 B14R1.16 Cc1c(cccc1C(=O)NCCF)F 527a_100000724931_100011218272 [0,2,0,0,0,0|2,0,0]=4 8693 B14R1.16 Cc1c(cccc1C(=O)NCCF)I 11a_100000724931_100000751865 [0,2,0,0,0,0|2,0,0]=4 8694 B14R1.16 Cc1c(cccc1C(=O)NCCF)I 1626a_100000724931_100000751865 [0,2,0,0,0,0|2,0,0]=4 8695 B14R1.16 Cc1c(cccc1C(=O)NCCF)I 240690a_100000724931_100000751865 [0,2,0,0,0,0|2,0,0]=4 8696 B14R1.16 Cc1c(cccc1C(=O)NCCF)I 527a_100000724931_100000751865 [0,2,0,0,0,0|2,0,0]=4 8697 B14R1.16 Cc1c(cccc1C(=O)NCCF)O 240690a_100000724931_100000766327 [0,2,0,0,0,0|2,0,0]=4 8698 B14R1.16 Cc1c(cccc1C(=O)NCCF)O 527a_100000724931_100000766327 [0,2,0,0,0,0|2,0,0]=4 8699 B14R1.16 Cc1c(cccc1C(=O)NCCO)Br 240690a_100000210304_100000760464 [0,2,0,0,0,0|2,0,0]=4 8700 B14R1.16 Cc1c(cccc1C(=O)NCCO)Br 527a_100000210304_100000760464 [0,2,0,0,0,0|2,0,0]=4 8701 B14R1.16 Cc1c(cccc1C(=O)NCCO)Cl 240690a_100000210304_100000690184 [0,2,0,0,0,0|2,0,0]=4 8702 B14R1.16 Cc1c(cccc1C(=O)NCCO)Cl 527a_100000210304_100000690184 [0,2,0,0,0,0|2,0,0]=4 8703 B14R1.16 Cc1c(cccc1C(=O)NCCO)F 240690a_100000210304_100011218272 [0,2,0,0,0,0|2,0,0]=4 8704 B14R1.16 Cc1c(cccc1C(=O)NCCO)F 527a_100000210304_100011218272 [0,2,0,0,0,0|2,0,0]=4 8705 B14R1.16 Cc1c(cccc1C(=O)NCCO)I 240690a_100000210304_100000751865 [0,2,0,0,0,0|2,0,0]=4 8706 B14R1.16 Cc1c(cccc1C(=O)NCCO)I 527a_100000210304_100000751865 [0,2,0,0,0,0|2,0,0]=4 8707 B14R1.16 Cc1c(cccc1C(=O)NCCO)O 240690a_100000210304_100000766327 [0,2,0,0,0,0|2,0,0]=4 8708 B14R1.16 Cc1c(cccc1C(=O)NCCO)O 527a_100000210304_100000766327 [0,2,0,0,0,0|2,0,0]=4 8709 B14R1.16 Cc1cccc(c1Br)C(=O)CCCF 1458a_100000692419_100011934791 [0,2,0,0,0,0|2,0,0]=4 8710 B14R1.16 Cc1cccc(c1Br)C(=O)CCCO 1458a_100000692419_100011215043 [0,2,0,0,0,0|2,0,0]=4 8711 B14R1.16 Cc1cccc(c1Br)C(=O)NCCF 11a_100000724931_100000692419 [0,2,0,0,0,0|2,0,0]=4 8712 B14R1.16 Cc1cccc(c1Br)C(=O)NCCF 1626a_100000724931_100000692419 [0,2,0,0,0,0|2,0,0]=4 8713 B14R1.16 Cc1cccc(c1Br)C(=O)NCCF 240690a_100000724931_100000692419 [0,2,0,0,0,0|2,0,0]=4 8714 B14R1.16 Cc1cccc(c1Br)C(=O)NCCF 527a_100000724931_100000692419 [0,2,0,0,0,0|2,0,0]=4 8715 B14R1.16 Cc1cccc(c1Br)C(=O)NCCO 240690a_100000210304_100000692419 [0,2,0,0,0,0|2,0,0]=4 8716 B14R1.16 Cc1cccc(c1Br)C(=O)NCCO 527a_100000210304_100000692419 [0,2,0,0,0,0|2,0,0]=4 8717 B14R1.16 Cc1cccc(c1C)C(=O)CCCF 1458a_100000183679_100011934791 [0,2,0,0,0,0|2,0,0]=4 8718 B14R1.16 Cc1cccc(c1C)C(=O)CCCO 1458a_100000183679_100011215043 [0,2,0,0,0,0|2,0,0]=4 8719 B14R1.16 Cc1cccc(c1C)C(=O)NCCF 11a_100000724931_100000183679 [0,2,0,0,0,0|2,0,0]=4 8720 B14R1.16 Cc1cccc(c1C)C(=O)NCCF 1626a_100000724931_100000183679 [0,2,0,0,0,0|2,0,0]=4 8721 B14R1.16 Cc1cccc(c1C)C(=O)NCCF 240690a_100000724931_100000183679 [0,2,0,0,0,0|2,0,0]=4 8722 B14R1.16 Cc1cccc(c1C)C(=O)NCCF 527a_100000724931_100000183679 [0,2,0,0,0,0|2,0,0]=4 8723 B14R1.16 Cc1cccc(c1C)C(=O)NCCO 240690a_100000210304_100000183679 [0,2,0,0,0,0|2,0,0]=4 8724 B14R1.16 Cc1cccc(c1C)C(=O)NCCO 527a_100000210304_100000183679 [0,2,0,0,0,0|2,0,0]=4 8725 B14R1.16 Cc1cccc(c1Cl)C(=O)CCCF 1458a_100000693142_100011934791 [0,2,0,0,0,0|2,0,0]=4 8726 B14R1.16 Cc1cccc(c1Cl)C(=O)CCCO 1458a_100000693142_100011215043 [0,2,0,0,0,0|2,0,0]=4 8727 B14R1.16 Cc1cccc(c1Cl)C(=O)NCCF 11a_100000724931_100000693142 [0,2,0,0,0,0|2,0,0]=4 8728 B14R1.16 Cc1cccc(c1Cl)C(=O)NCCF 1626a_100000724931_100000693142 [0,2,0,0,0,0|2,0,0]=4 8729 B14R1.16 Cc1cccc(c1Cl)C(=O)NCCF 240690a_100000724931_100000693142 [0,2,0,0,0,0|2,0,0]=4 8730 B14R1.16 Cc1cccc(c1Cl)C(=O)NCCF 527a_100000724931_100000693142 [0,2,0,0,0,0|2,0,0]=4 8731 B14R1.16 Cc1cccc(c1Cl)C(=O)NCCO 240690a_100000210304_100000693142 [0,2,0,0,0,0|2,0,0]=4 8732 B14R1.16 Cc1cccc(c1Cl)C(=O)NCCO 527a_100000210304_100000693142 [0,2,0,0,0,0|2,0,0]=4 8733 B14R1.16 Cc1cccc(c1F)C(=O)CCCF 1458a_100000766181_100011934791 [0,2,0,0,0,0|2,0,0]=4 8734 B14R1.16 Cc1cccc(c1F)C(=O)CCCO 1458a_100000766181_100011215043 [0,2,0,0,0,0|2,0,0]=4 8735 B14R1.16 Cc1cccc(c1F)C(=O)NCCF 11a_100000724931_100000766181 [0,2,0,0,0,0|2,0,0]=4 8736 B14R1.16 Cc1cccc(c1F)C(=O)NCCF 1626a_100000724931_100000766181 [0,2,0,0,0,0|2,0,0]=4 8737 B14R1.16 Cc1cccc(c1F)C(=O)NCCF 240690a_100000724931_100000766181 [0,2,0,0,0,0|2,0,0]=4 8738 B14R1.16 Cc1cccc(c1F)C(=O)NCCF 527a_100000724931_100000766181 [0,2,0,0,0,0|2,0,0]=4 8739 B14R1.16 Cc1cccc(c1F)C(=O)NCCO 240690a_100000210304_100000766181 [0,2,0,0,0,0|2,0,0]=4 8740 B14R1.16 Cc1cccc(c1F)C(=O)NCCO 527a_100000210304_100000766181 [0,2,0,0,0,0|2,0,0]=4 8741 B14R1.16 Cc1cccc(c1I)C(=O)CCCF 1458a_100000739377_100011934791 [0,2,0,0,0,0|2,0,0]=4 8742 B14R1.16 Cc1cccc(c1I)C(=O)CCCO 1458a_100000739377_100011215043 [0,2,0,0,0,0|2,0,0]=4 8743 B14R1.16 Cc1cccc(c1I)C(=O)NCCF 11a_100000724931_100000739377 [0,2,0,0,0,0|2,0,0]=4 8744 B14R1.16 Cc1cccc(c1I)C(=O)NCCF 1626a_100000724931_100000739377 [0,2,0,0,0,0|2,0,0]=4 8745 B14R1.16 Cc1cccc(c1I)C(=O)NCCF 240690a_100000724931_100000739377 [0,2,0,0,0,0|2,0,0]=4 8746 B14R1.16 Cc1cccc(c1I)C(=O)NCCF 527a_100000724931_100000739377 [0,2,0,0,0,0|2,0,0]=4 8747 B14R1.16 Cc1cccc(c1I)C(=O)NCCO 240690a_100000210304_100000739377 [0,2,0,0,0,0|2,0,0]=4 8748 B14R1.16 Cc1cccc(c1I)C(=O)NCCO 527a_100000210304_100000739377 [0,2,0,0,0,0|2,0,0]=4 8749 B14R1.16 Cc1cccc(c1O)C(=O)CCCF 1458a_100000183896_100011934791 [0,2,0,0,0,0|2,0,0]=4 8750 B14R1.16 Cc1cccc(c1O)C(=O)CCCO 1458a_100000183896_100011215043 [0,2,0,0,0,0|2,0,0]=4 8751 B14R1.16 Cc1cccc(c1O)C(=O)NCCF 240690a_100000724931_100000183896 [0,2,0,0,0,0|2,0,0]=4 8752 B14R1.16 Cc1cccc(c1O)C(=O)NCCF 527a_100000724931_100000183896 [0,2,0,0,0,0|2,0,0]=4 8753 B14R1.16 Cc1cccc(c1O)C(=O)NCCO 240690a_100000210304_100000183896 [0,2,0,0,0,0|2,0,0]=4 8754 B14R1.16 Cc1cccc(c1O)C(=O)NCCO 527a_100000210304_100000183896 [0,2,0,0,0,0|2,0,0]=4 8755 B14R1.16 O=C(CCCF)c1cccc(c1Br)Br 1458a_100012360534_100011934791 [0,2,0,0,0,0|2,0,0]=4 8756 B14R1.16 O=C(CCCF)c1cccc(c1Br)Cl 1458a_100012339722_100011934791 [0,2,0,0,0,0|2,0,0]=4 8757 B14R1.16 O=C(CCCF)c1cccc(c1Br)F 1458a_100011217547_100011934791 [0,2,0,0,0,0|2,0,0]=4 8758 B14R1.16 O=C(CCCF)c1cccc(c1Br)I 1458a_100010232522_100011934791 [0,2,0,0,0,0|2,0,0]=4 8759 B14R1.16 O=C(CCCF)c1cccc(c1Br)O 1458a_100010230362_100011934791 [0,2,0,0,0,0|2,0,0]=4 8760 B14R1.16 O=C(CCCF)c1cccc(c1Cl)Br 1458a_100000760540_100011934791 [0,2,0,0,0,0|2,0,0]=4 8761 B14R1.16 O=C(CCCF)c1cccc(c1Cl)Cl 1458a_100000183631_100011934791 [0,2,0,0,0,0|2,0,0]=4 8762 B14R1.16 O=C(CCCF)c1cccc(c1Cl)F 1458a_100000759904_100011934791 [0,2,0,0,0,0|2,0,0]=4 8763 B14R1.16 O=C(CCCF)c1cccc(c1Cl)I 1458a_100010176783_100011934791 [0,2,0,0,0,0|2,0,0]=4 8764 B14R1.16 O=C(CCCF)c1cccc(c1Cl)O 1458a_100000092362_100011934791 [0,2,0,0,0,0|2,0,0]=4 8765 B14R1.16 O=C(CCCF)c1cccc(c1F)Br 1458a_100000756403_100011934791 [0,2,0,0,0,0|2,0,0]=4 8766 B14R1.16 O=C(CCCF)c1cccc(c1F)Cl 1458a_100000688816_100011934791 [0,2,0,0,0,0|2,0,0]=4 8767 B14R1.16 O=C(CCCF)c1cccc(c1F)F 1458a_100000748134_100011934791 [0,2,0,0,0,0|2,0,0]=4 8768 B14R1.16 O=C(CCCF)c1cccc(c1F)I 1458a_100010185205_100011934791 [0,2,0,0,0,0|2,0,0]=4 8769 B14R1.16 O=C(CCCF)c1cccc(c1F)O 1458a_100000037433_100011934791 [0,2,0,0,0,0|2,0,0]=4 8770 B14R1.16 O=C(CCCF)c1cccc(c1I)Br 1458a_100000688019_100011934791 [0,2,0,0,0,0|2,0,0]=4 8771 B14R1.16 O=C(CCCF)c1cccc(c1I)Cl 1458a_100010176784_100011934791 [0,2,0,0,0,0|2,0,0]=4 8772 B14R1.16 O=C(CCCF)c1cccc(c1I)F 1458a_100000690930_100011934791 [0,2,0,0,0,0|2,0,0]=4 8773 B14R1.16 O=C(CCCF)c1cccc(c1I)O 1458a_100010084636_100011934791 [0,2,0,0,0,0|2,0,0]=4 8774 B14R1.16 O=C(CCCF)c1cccc(c1O)Br 1458a_100000752940_100011934791 [0,2,0,0,0,0|2,0,0]=4 8775 B14R1.16 O=C(CCCF)c1cccc(c1O)Cl 1458a_100000742801_100011934791 [0,2,0,0,0,0|2,0,0]=4 8776 B14R1.16 O=C(CCCF)c1cccc(c1O)F 1458a_100011217230_100011934791 [0,2,0,0,0,0|2,0,0]=4 8777 B14R1.16 O=C(CCCF)c1cccc(c1O)O 1458a_100000690420_100011934791 [0,2,0,0,0,0|2,0,0]=4 8778 B14R1.16 O=C(CCCO)c1cccc(c1Br)Br 1458a_100012360534_100011215043 [0,2,0,0,0,0|2,0,0]=4 8779 B14R1.16 O=C(CCCO)c1cccc(c1Br)Cl 1458a_100012339722_100011215043 [0,2,0,0,0,0|2,0,0]=4 8780 B14R1.16 O=C(CCCO)c1cccc(c1Br)F 1458a_100011217547_100011215043 [0,2,0,0,0,0|2,0,0]=4 8781 B14R1.16 O=C(CCCO)c1cccc(c1Br)I 1458a_100010232522_100011215043 [0,2,0,0,0,0|2,0,0]=4 8782 B14R1.16 O=C(CCCO)c1cccc(c1Br)O 1458a_100010230362_100011215043 [0,2,0,0,0,0|2,0,0]=4 8783 B14R1.16 O=C(CCCO)c1cccc(c1Cl)Br 1458a_100000760540_100011215043 [0,2,0,0,0,0|2,0,0]=4 8784 B14R1.16 O=C(CCCO)c1cccc(c1Cl)Cl 1458a_100000183631_100011215043 [0,2,0,0,0,0|2,0,0]=4 8785 B14R1.16 O=C(CCCO)c1cccc(c1Cl)F 1458a_100000759904_100011215043 [0,2,0,0,0,0|2,0,0]=4 8786 B14R1.16 O=C(CCCO)c1cccc(c1Cl)I 1458a_100010176783_100011215043 [0,2,0,0,0,0|2,0,0]=4 8787 B14R1.16 O=C(CCCO)c1cccc(c1Cl)O 1458a_100000092362_100011215043 [0,2,0,0,0,0|2,0,0]=4 8788 B14R1.16 O=C(CCCO)c1cccc(c1F)Br 1458a_100000756403_100011215043 [0,2,0,0,0,0|2,0,0]=4 8789 B14R1.16 O=C(CCCO)c1cccc(c1F)Cl 1458a_100000688816_100011215043 [0,2,0,0,0,0|2,0,0]=4 8790 B14R1.16 O=C(CCCO)c1cccc(c1F)F 1458a_100000748134_100011215043 [0,2,0,0,0,0|2,0,0]=4 8791 B14R1.16 O=C(CCCO)c1cccc(c1F)I 1458a_100010185205_100011215043 [0,2,0,0,0,0|2,0,0]=4 8792 B14R1.16 O=C(CCCO)c1cccc(c1F)O 1458a_100000037433_100011215043 [0,2,0,0,0,0|2,0,0]=4 8793 B14R1.16 O=C(CCCO)c1cccc(c1I)Br 1458a_100000688019_100011215043 [0,2,0,0,0,0|2,0,0]=4 8794 B14R1.16 O=C(CCCO)c1cccc(c1I)Cl 1458a_100010176784_100011215043 [0,2,0,0,0,0|2,0,0]=4 8795 B14R1.16 O=C(CCCO)c1cccc(c1I)F 1458a_100000690930_100011215043 [0,2,0,0,0,0|2,0,0]=4 8796 B14R1.16 O=C(CCCO)c1cccc(c1I)O 1458a_100010084636_100011215043 [0,2,0,0,0,0|2,0,0]=4 8797 B14R1.16 O=C(CCCO)c1cccc(c1O)Br 1458a_100000752940_100011215043 [0,2,0,0,0,0|2,0,0]=4 8798 B14R1.16 O=C(CCCO)c1cccc(c1O)Cl 1458a_100000742801_100011215043 [0,2,0,0,0,0|2,0,0]=4 8799 B14R1.16 O=C(CCCO)c1cccc(c1O)F 1458a_100011217230_100011215043 [0,2,0,0,0,0|2,0,0]=4 8800 B14R1.16 O=C(CCCO)c1cccc(c1O)O 1458a_100000690420_100011215043 [0,2,0,0,0,0|2,0,0]=4 8801 B14R1.16 O=C(NCCF)c1cccc(c1Br)Br 11a_100000724931_100012360534 [0,2,0,0,0,0|2,0,0]=4 8802 B14R1.16 O=C(NCCF)c1cccc(c1Br)Br 1626a_100000724931_100012360534 [0,2,0,0,0,0|2,0,0]=4 8803 B14R1.16 O=C(NCCF)c1cccc(c1Br)Br 240690a_100000724931_100012360534 [0,2,0,0,0,0|2,0,0]=4 8804 B14R1.16 O=C(NCCF)c1cccc(c1Br)Br 527a_100000724931_100012360534 [0,2,0,0,0,0|2,0,0]=4 8805 B14R1.16 O=C(NCCF)c1cccc(c1Br)Cl 11a_100000724931_100012339722 [0,2,0,0,0,0|2,0,0]=4 8806 B14R1.16 O=C(NCCF)c1cccc(c1Br)Cl 1626a_100000724931_100012339722 [0,2,0,0,0,0|2,0,0]=4 8807 B14R1.16 O=C(NCCF)c1cccc(c1Br)Cl 240690a_100000724931_100012339722 [0,2,0,0,0,0|2,0,0]=4 8808 B14R1.16 O=C(NCCF)c1cccc(c1Br)Cl 527a_100000724931_100012339722 [0,2,0,0,0,0|2,0,0]=4 8809 B14R1.16 O=C(NCCF)c1cccc(c1Br)F 11a_100000724931_100011217547 [0,2,0,0,0,0|2,0,0]=4 8810 B14R1.16 O=C(NCCF)c1cccc(c1Br)F 1626a_100000724931_100011217547 [0,2,0,0,0,0|2,0,0]=4 8811 B14R1.16 O=C(NCCF)c1cccc(c1Br)F 240690a_100000724931_100011217547 [0,2,0,0,0,0|2,0,0]=4 8812 B14R1.16 O=C(NCCF)c1cccc(c1Br)F 527a_100000724931_100011217547 [0,2,0,0,0,0|2,0,0]=4 8813 B14R1.16 O=C(NCCF)c1cccc(c1Br)I 11a_100000724931_100010232522 [0,2,0,0,0,0|2,0,0]=4 8814 B14R1.16 O=C(NCCF)c1cccc(c1Br)I 1626a_100000724931_100010232522 [0,2,0,0,0,0|2,0,0]=4 8815 B14R1.16 O=C(NCCF)c1cccc(c1Br)I 240690a_100000724931_100010232522 [0,2,0,0,0,0|2,0,0]=4 8816 B14R1.16 O=C(NCCF)c1cccc(c1Br)I 527a_100000724931_100010232522 [0,2,0,0,0,0|2,0,0]=4 8817 B14R1.16 O=C(NCCF)c1cccc(c1Br)O 240690a_100000724931_100010230362 [0,2,0,0,0,0|2,0,0]=4 8818 B14R1.16 O=C(NCCF)c1cccc(c1Br)O 527a_100000724931_100010230362 [0,2,0,0,0,0|2,0,0]=4 8819 B14R1.16 O=C(NCCF)c1cccc(c1Cl)Br 11a_100000724931_100000760540 [0,2,0,0,0,0|2,0,0]=4 8820 B14R1.16 O=C(NCCF)c1cccc(c1Cl)Br 1626a_100000724931_100000760540 [0,2,0,0,0,0|2,0,0]=4 8821 B14R1.16 O=C(NCCF)c1cccc(c1Cl)Br 240690a_100000724931_100000760540 [0,2,0,0,0,0|2,0,0]=4 8822 B14R1.16 O=C(NCCF)c1cccc(c1Cl)Br 527a_100000724931_100000760540 [0,2,0,0,0,0|2,0,0]=4 8823 B14R1.16 O=C(NCCF)c1cccc(c1Cl)Cl 11a_100000724931_100000183631 [0,2,0,0,0,0|2,0,0]=4 8824 B14R1.16 O=C(NCCF)c1cccc(c1Cl)Cl 1626a_100000724931_100000183631 [0,2,0,0,0,0|2,0,0]=4 8825 B14R1.16 O=C(NCCF)c1cccc(c1Cl)Cl 240690a_100000724931_100000183631 [0,2,0,0,0,0|2,0,0]=4 8826 B14R1.16 O=C(NCCF)c1cccc(c1Cl)Cl 527a_100000724931_100000183631 [0,2,0,0,0,0|2,0,0]=4 8827 B14R1.16 O=C(NCCF)c1cccc(c1Cl)F 11a_100000724931_100000759904 [0,2,0,0,0,0|2,0,0]=4 8828 B14R1.16 O=C(NCCF)c1cccc(c1Cl)F 1626a_100000724931_100000759904 [0,2,0,0,0,0|2,0,0]=4 8829 B14R1.16 O=C(NCCF)c1cccc(c1Cl)F 240690a_100000724931_100000759904 [0,2,0,0,0,0|2,0,0]=4 8830 B14R1.16 O=C(NCCF)c1cccc(c1Cl)F 527a_100000724931_100000759904 [0,2,0,0,0,0|2,0,0]=4 8831 B14R1.16 O=C(NCCF)c1cccc(c1Cl)I 11a_100000724931_100010176783 [0,2,0,0,0,0|2,0,0]=4 8832 B14R1.16 O=C(NCCF)c1cccc(c1Cl)I 1626a_100000724931_100010176783 [0,2,0,0,0,0|2,0,0]=4 8833 B14R1.16 O=C(NCCF)c1cccc(c1Cl)I 240690a_100000724931_100010176783 [0,2,0,0,0,0|2,0,0]=4 8834 B14R1.16 O=C(NCCF)c1cccc(c1Cl)I 527a_100000724931_100010176783 [0,2,0,0,0,0|2,0,0]=4 8835 B14R1.16 O=C(NCCF)c1cccc(c1Cl)O 240690a_100000724931_100000092362 [0,2,0,0,0,0|2,0,0]=4 8836 B14R1.16 O=C(NCCF)c1cccc(c1Cl)O 527a_100000724931_100000092362 [0,2,0,0,0,0|2,0,0]=4 8837 B14R1.16 O=C(NCCF)c1cccc(c1F)Br 11a_100000724931_100000756403 [0,2,0,0,0,0|2,0,0]=4 8838 B14R1.16 O=C(NCCF)c1cccc(c1F)Br 1626a_100000724931_100000756403 [0,2,0,0,0,0|2,0,0]=4 8839 B14R1.16 O=C(NCCF)c1cccc(c1F)Br 240690a_100000724931_100000756403 [0,2,0,0,0,0|2,0,0]=4 8840 B14R1.16 O=C(NCCF)c1cccc(c1F)Br 527a_100000724931_100000756403 [0,2,0,0,0,0|2,0,0]=4 8841 B14R1.16 O=C(NCCF)c1cccc(c1F)Cl 11a_100000724931_100000688816 [0,2,0,0,0,0|2,0,0]=4 8842 B14R1.16 O=C(NCCF)c1cccc(c1F)Cl 1626a_100000724931_100000688816 [0,2,0,0,0,0|2,0,0]=4 8843 B14R1.16 O=C(NCCF)c1cccc(c1F)Cl 240690a_100000724931_100000688816 [0,2,0,0,0,0|2,0,0]=4 8844 B14R1.16 O=C(NCCF)c1cccc(c1F)Cl 527a_100000724931_100000688816 [0,2,0,0,0,0|2,0,0]=4 8845 B14R1.16 O=C(NCCF)c1cccc(c1F)F 11a_100000724931_100000748134 [0,2,0,0,0,0|2,0,0]=4 8846 B14R1.16 O=C(NCCF)c1cccc(c1F)F 1626a_100000724931_100000748134 [0,2,0,0,0,0|2,0,0]=4 8847 B14R1.16 O=C(NCCF)c1cccc(c1F)F 240690a_100000724931_100000748134 [0,2,0,0,0,0|2,0,0]=4 8848 B14R1.16 O=C(NCCF)c1cccc(c1F)F 527a_100000724931_100000748134 [0,2,0,0,0,0|2,0,0]=4 8849 B14R1.16 O=C(NCCF)c1cccc(c1F)I 11a_100000724931_100010185205 [0,2,0,0,0,0|2,0,0]=4 8850 B14R1.16 O=C(NCCF)c1cccc(c1F)I 1626a_100000724931_100010185205 [0,2,0,0,0,0|2,0,0]=4 8851 B14R1.16 O=C(NCCF)c1cccc(c1F)I 240690a_100000724931_100010185205 [0,2,0,0,0,0|2,0,0]=4 8852 B14R1.16 O=C(NCCF)c1cccc(c1F)I 527a_100000724931_100010185205 [0,2,0,0,0,0|2,0,0]=4 8853 B14R1.16 O=C(NCCF)c1cccc(c1F)O 240690a_100000724931_100000037433 [0,2,0,0,0,0|2,0,0]=4 8854 B14R1.16 O=C(NCCF)c1cccc(c1F)O 527a_100000724931_100000037433 [0,2,0,0,0,0|2,0,0]=4 8855 B14R1.16 O=C(NCCF)c1cccc(c1I)Br 11a_100000724931_100000688019 [0,2,0,0,0,0|2,0,0]=4 8856 B14R1.16 O=C(NCCF)c1cccc(c1I)Br 1626a_100000724931_100000688019 [0,2,0,0,0,0|2,0,0]=4 8857 B14R1.16 O=C(NCCF)c1cccc(c1I)Br 240690a_100000724931_100000688019 [0,2,0,0,0,0|2,0,0]=4 8858 B14R1.16 O=C(NCCF)c1cccc(c1I)Br 527a_100000724931_100000688019 [0,2,0,0,0,0|2,0,0]=4 8859 B14R1.16 O=C(NCCF)c1cccc(c1I)Cl 11a_100000724931_100010176784 [0,2,0,0,0,0|2,0,0]=4 8860 B14R1.16 O=C(NCCF)c1cccc(c1I)Cl 1626a_100000724931_100010176784 [0,2,0,0,0,0|2,0,0]=4 8861 B14R1.16 O=C(NCCF)c1cccc(c1I)Cl 240690a_100000724931_100010176784 [0,2,0,0,0,0|2,0,0]=4 8862 B14R1.16 O=C(NCCF)c1cccc(c1I)Cl 527a_100000724931_100010176784 [0,2,0,0,0,0|2,0,0]=4 8863 B14R1.16 O=C(NCCF)c1cccc(c1I)F 11a_100000724931_100000690930 [0,2,0,0,0,0|2,0,0]=4 8864 B14R1.16 O=C(NCCF)c1cccc(c1I)F 1626a_100000724931_100000690930 [0,2,0,0,0,0|2,0,0]=4 8865 B14R1.16 O=C(NCCF)c1cccc(c1I)F 240690a_100000724931_100000690930 [0,2,0,0,0,0|2,0,0]=4 8866 B14R1.16 O=C(NCCF)c1cccc(c1I)F 527a_100000724931_100000690930 [0,2,0,0,0,0|2,0,0]=4 8867 B14R1.16 O=C(NCCF)c1cccc(c1I)O 527a_100000724931_100010084636 [0,2,0,0,0,0|2,0,0]=4 8868 B14R1.16 O=C(NCCF)c1cccc(c1O)Br 240690a_100000724931_100000752940 [0,2,0,0,0,0|2,0,0]=4 8869 B14R1.16 O=C(NCCF)c1cccc(c1O)Br 527a_100000724931_100000752940 [0,2,0,0,0,0|2,0,0]=4 8870 B14R1.16 O=C(NCCF)c1cccc(c1O)Cl 240690a_100000724931_100000742801 [0,2,0,0,0,0|2,0,0]=4 8871 B14R1.16 O=C(NCCF)c1cccc(c1O)Cl 527a_100000724931_100000742801 [0,2,0,0,0,0|2,0,0]=4 8872 B14R1.16 O=C(NCCF)c1cccc(c1O)F 240690a_100000724931_100011217230 [0,2,0,0,0,0|2,0,0]=4 8873 B14R1.16 O=C(NCCF)c1cccc(c1O)F 527a_100000724931_100011217230 [0,2,0,0,0,0|2,0,0]=4 8874 B14R1.16 O=C(NCCF)c1cccc(c1O)O 527a_100000724931_100000690420 [0,2,0,0,0,0|2,0,0]=4 8875 B14R1.16 O=C(NCCO)c1cccc(c1Br)Br 240690a_100000210304_100012360534 [0,2,0,0,0,0|2,0,0]=4 8876 B14R1.16 O=C(NCCO)c1cccc(c1Br)Br 527a_100000210304_100012360534 [0,2,0,0,0,0|2,0,0]=4 8877 B14R1.16 O=C(NCCO)c1cccc(c1Br)Cl 240690a_100000210304_100012339722 [0,2,0,0,0,0|2,0,0]=4 8878 B14R1.16 O=C(NCCO)c1cccc(c1Br)Cl 527a_100000210304_100012339722 [0,2,0,0,0,0|2,0,0]=4 8879 B14R1.16 O=C(NCCO)c1cccc(c1Br)F 240690a_100000210304_100011217547 [0,2,0,0,0,0|2,0,0]=4 8880 B14R1.16 O=C(NCCO)c1cccc(c1Br)F 527a_100000210304_100011217547 [0,2,0,0,0,0|2,0,0]=4 8881 B14R1.16 O=C(NCCO)c1cccc(c1Br)I 240690a_100000210304_100010232522 [0,2,0,0,0,0|2,0,0]=4 8882 B14R1.16 O=C(NCCO)c1cccc(c1Br)I 527a_100000210304_100010232522 [0,2,0,0,0,0|2,0,0]=4 8883 B14R1.16 O=C(NCCO)c1cccc(c1Br)O 240690a_100000210304_100010230362 [0,2,0,0,0,0|2,0,0]=4 8884 B14R1.16 O=C(NCCO)c1cccc(c1Br)O 527a_100000210304_100010230362 [0,2,0,0,0,0|2,0,0]=4 8885 B14R1.16 O=C(NCCO)c1cccc(c1Cl)Br 240690a_100000210304_100000760540 [0,2,0,0,0,0|2,0,0]=4 8886 B14R1.16 O=C(NCCO)c1cccc(c1Cl)Br 527a_100000210304_100000760540 [0,2,0,0,0,0|2,0,0]=4 8887 B14R1.16 O=C(NCCO)c1cccc(c1Cl)Cl 240690a_100000210304_100000183631 [0,2,0,0,0,0|2,0,0]=4 8888 B14R1.16 O=C(NCCO)c1cccc(c1Cl)Cl 527a_100000210304_100000183631 [0,2,0,0,0,0|2,0,0]=4 8889 B14R1.16 O=C(NCCO)c1cccc(c1Cl)F 240690a_100000210304_100000759904 [0,2,0,0,0,0|2,0,0]=4 8890 B14R1.16 O=C(NCCO)c1cccc(c1Cl)F 527a_100000210304_100000759904 [0,2,0,0,0,0|2,0,0]=4 8891 B14R1.16 O=C(NCCO)c1cccc(c1Cl)I 240690a_100000210304_100010176783 [0,2,0,0,0,0|2,0,0]=4 8892 B14R1.16 O=C(NCCO)c1cccc(c1Cl)I 527a_100000210304_100010176783 [0,2,0,0,0,0|2,0,0]=4 8893 B14R1.16 O=C(NCCO)c1cccc(c1Cl)O 240690a_100000210304_100000092362 [0,2,0,0,0,0|2,0,0]=4 8894 B14R1.16 O=C(NCCO)c1cccc(c1Cl)O 527a_100000210304_100000092362 [0,2,0,0,0,0|2,0,0]=4 8895 B14R1.16 O=C(NCCO)c1cccc(c1F)Br 240690a_100000210304_100000756403 [0,2,0,0,0,0|2,0,0]=4 8896 B14R1.16 O=C(NCCO)c1cccc(c1F)Br 527a_100000210304_100000756403 [0,2,0,0,0,0|2,0,0]=4 8897 B14R1.16 O=C(NCCO)c1cccc(c1F)Cl 240690a_100000210304_100000688816 [0,2,0,0,0,0|2,0,0]=4 8898 B14R1.16 O=C(NCCO)c1cccc(c1F)Cl 527a_100000210304_100000688816 [0,2,0,0,0,0|2,0,0]=4 8899 B14R1.16 O=C(NCCO)c1cccc(c1F)F 240690a_100000210304_100000748134 [0,2,0,0,0,0|2,0,0]=4 8900 B14R1.16 O=C(NCCO)c1cccc(c1F)F 527a_100000210304_100000748134 [0,2,0,0,0,0|2,0,0]=4 8901 B14R1.16 O=C(NCCO)c1cccc(c1F)I 240690a_100000210304_100010185205 [0,2,0,0,0,0|2,0,0]=4 8902 B14R1.16 O=C(NCCO)c1cccc(c1F)I 527a_100000210304_100010185205 [0,2,0,0,0,0|2,0,0]=4 8903 B14R1.16 O=C(NCCO)c1cccc(c1F)O 240690a_100000210304_100000037433 [0,2,0,0,0,0|2,0,0]=4 8904 B14R1.16 O=C(NCCO)c1cccc(c1F)O 527a_100000210304_100000037433 [0,2,0,0,0,0|2,0,0]=4 8905 B14R1.16 O=C(NCCO)c1cccc(c1I)Br 240690a_100000210304_100000688019 [0,2,0,0,0,0|2,0,0]=4 8906 B14R1.16 O=C(NCCO)c1cccc(c1I)Br 527a_100000210304_100000688019 [0,2,0,0,0,0|2,0,0]=4 8907 B14R1.16 O=C(NCCO)c1cccc(c1I)Cl 240690a_100000210304_100010176784 [0,2,0,0,0,0|2,0,0]=4 8908 B14R1.16 O=C(NCCO)c1cccc(c1I)Cl 527a_100000210304_100010176784 [0,2,0,0,0,0|2,0,0]=4 8909 B14R1.16 O=C(NCCO)c1cccc(c1I)F 240690a_100000210304_100000690930 [0,2,0,0,0,0|2,0,0]=4 8910 B14R1.16 O=C(NCCO)c1cccc(c1I)F 527a_100000210304_100000690930 [0,2,0,0,0,0|2,0,0]=4 8911 B14R1.16 O=C(NCCO)c1cccc(c1I)O 527a_100000210304_100010084636 [0,2,0,0,0,0|2,0,0]=4 8912 B14R1.16 O=C(NCCO)c1cccc(c1O)Br 240690a_100000210304_100000752940 [0,2,0,0,0,0|2,0,0]=4 8913 B14R1.16 O=C(NCCO)c1cccc(c1O)Br 527a_100000210304_100000752940 [0,2,0,0,0,0|2,0,0]=4 8914 B14R1.16 O=C(NCCO)c1cccc(c1O)Cl 240690a_100000210304_100000742801 [0,2,0,0,0,0|2,0,0]=4 8915 B14R1.16 O=C(NCCO)c1cccc(c1O)Cl 527a_100000210304_100000742801 [0,2,0,0,0,0|2,0,0]=4 8916 B14R1.16 O=C(NCCO)c1cccc(c1O)F 240690a_100000210304_100011217230 [0,2,0,0,0,0|2,0,0]=4 8917 B14R1.16 O=C(NCCO)c1cccc(c1O)F 527a_100000210304_100011217230 [0,2,0,0,0,0|2,0,0]=4 8918 B14R1.16 O=C(NCCO)c1cccc(c1O)O 527a_100000210304_100000690420 [0,2,0,0,0,0|2,0,0]=4 8919 B14R1.20 C#CCCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000731252 [0,2,0,0,0,0|1,0,1]=4 8920 B14R1.20 C#CCCCC(=O)c1cccc(c1)C 1458a_100000189346_100000731252 [0,2,0,0,0,0|1,0,1]=4 8921 B14R1.20 C#CCCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000731252 [0,2,0,0,0,0|1,0,1]=4 8922 B14R1.20 C#CCCCC(=O)c1cccc(c1)F 1458a_100000210950_100000731252 [0,2,0,0,0,0|1,0,1]=4 8923 B14R1.20 C#CCCCC(=O)c1cccc(c1)I 1458a_100000184098_100000731252 [0,2,0,0,0,0|1,0,1]=4 8924 B14R1.20 C#CCCCC(=O)c1cccc(c1)O 1458a_100000183914_100000731252 [0,2,0,0,0,0|1,0,1]=4 8925 B14R1.20 C#CCCNC(=O)c1cccc(c1)Br 11a_100000755551_100000210664 [0,2,0,0,0,0|1,0,1]=4 8926 B14R1.20 C#CCCNC(=O)c1cccc(c1)Br 1626a_100000755551_100000210664 [0,2,0,0,0,0|1,0,1]=4 8927 B14R1.20 C#CCCNC(=O)c1cccc(c1)Br 240690a_100000755551_100000210664 [0,2,0,0,0,0|1,0,1]=4 8928 B14R1.20 C#CCCNC(=O)c1cccc(c1)Br 527a_100000755551_100000210664 [0,2,0,0,0,0|1,0,1]=4 8929 B14R1.20 C#CCCNC(=O)c1cccc(c1)C 11a_100000755551_100000189346 [0,2,0,0,0,0|1,0,1]=4 8930 B14R1.20 C#CCCNC(=O)c1cccc(c1)C 1626a_100000755551_100000189346 [0,2,0,0,0,0|1,0,1]=4 8931 B14R1.20 C#CCCNC(=O)c1cccc(c1)C 240690a_100000755551_100000189346 [0,2,0,0,0,0|1,0,1]=4 8932 B14R1.20 C#CCCNC(=O)c1cccc(c1)C 527a_100000755551_100000189346 [0,2,0,0,0,0|1,0,1]=4 8933 B14R1.20 C#CCCNC(=O)c1cccc(c1)Cl 11a_100000755551_100000210390 [0,2,0,0,0,0|1,0,1]=4 8934 B14R1.20 C#CCCNC(=O)c1cccc(c1)Cl 1626a_100000755551_100000210390 [0,2,0,0,0,0|1,0,1]=4 8935 B14R1.20 C#CCCNC(=O)c1cccc(c1)Cl 240690a_100000755551_100000210390 [0,2,0,0,0,0|1,0,1]=4 8936 B14R1.20 C#CCCNC(=O)c1cccc(c1)Cl 527a_100000755551_100000210390 [0,2,0,0,0,0|1,0,1]=4 8937 B14R1.20 C#CCCNC(=O)c1cccc(c1)F 11a_100000755551_100000210950 [0,2,0,0,0,0|1,0,1]=4 8938 B14R1.20 C#CCCNC(=O)c1cccc(c1)F 1626a_100000755551_100000210950 [0,2,0,0,0,0|1,0,1]=4 8939 B14R1.20 C#CCCNC(=O)c1cccc(c1)F 240690a_100000755551_100000210950 [0,2,0,0,0,0|1,0,1]=4 8940 B14R1.20 C#CCCNC(=O)c1cccc(c1)F 527a_100000755551_100000210950 [0,2,0,0,0,0|1,0,1]=4 8941 B14R1.20 C#CCCNC(=O)c1cccc(c1)I 11a_100000755551_100000184098 [0,2,0,0,0,0|1,0,1]=4 8942 B14R1.20 C#CCCNC(=O)c1cccc(c1)I 1626a_100000755551_100000184098 [0,2,0,0,0,0|1,0,1]=4 8943 B14R1.20 C#CCCNC(=O)c1cccc(c1)I 240690a_100000755551_100000184098 [0,2,0,0,0,0|1,0,1]=4 8944 B14R1.20 C#CCCNC(=O)c1cccc(c1)I 527a_100000755551_100000184098 [0,2,0,0,0,0|1,0,1]=4 8945 B14R1.20 C#CCCNC(=O)c1cccc(c1)O 240690a_100000755551_100000183914 [0,2,0,0,0,0|1,0,1]=4 8946 B14R1.20 C#CCCNC(=O)c1cccc(c1)O 527a_100000755551_100000183914 [0,2,0,0,0,0|1,0,1]=4 8947 B14R1.20 C#CCOCC(=O)c1cccc(c1)Br 34a_100000210247_100000212080 [0,2,0,0,0,0|0,0,2]=4 8948 B14R1.20 C#CCOCC(=O)c1cccc(c1)C 34a_100000210247_100000739480 [0,2,0,0,0,0|0,0,2]=4 8949 B14R1.20 C#CCOCC(=O)c1cccc(c1)Cl 34a_100000210247_100000211444 [0,2,0,0,0,0|0,0,2]=4 8950 B14R1.20 C#CCOCC(=O)c1cccc(c1)Cl 7a_200011592804_100000038162 [0,2,0,0,0,0|0,0,2]=4 8951 B14R1.20 C#CCOCC(=O)c1cccc(c1)F 34a_100000210247_100000215616 [0,2,0,0,0,0|0,0,2]=4 8952 B14R1.20 C#CCOCC(=O)c1cccc(c1)F 34a_100011592800_100000184674 [0,2,0,0,0,0|0,0,2]=4 8953 B14R1.20 C#CCOCC(=O)c1cccc(c1)F 7a_100011592800_100000038162 [0,2,0,0,0,0|0,0,2]=4 8954 B14R1.20 C#CCOCC(=O)c1cccc(c1)O 34a_100000210247_100009813753 [0,2,0,0,0,0|0,0,2]=4 8955 B14R1.20 C=CCCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000757094 [0,2,0,0,0,0|1,0,1]=4 8956 B14R1.20 C=CCCCC(=O)c1cccc(c1)C 1458a_100000189346_100000757094 [0,2,0,0,0,0|1,0,1]=4 8957 B14R1.20 C=CCCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000757094 [0,2,0,0,0,0|1,0,1]=4 8958 B14R1.20 C=CCCCC(=O)c1cccc(c1)F 1458a_100000210950_100000757094 [0,2,0,0,0,0|1,0,1]=4 8959 B14R1.20 C=CCCCC(=O)c1cccc(c1)I 1458a_100000184098_100000757094 [0,2,0,0,0,0|1,0,1]=4 8960 B14R1.20 C=CCCCC(=O)c1cccc(c1)O 1458a_100000183914_100000757094 [0,2,0,0,0,0|1,0,1]=4 8961 B14R1.20 C=CCCNC(=O)c1cccc(c1)Br 11a_100015191253_100000210664 [0,2,0,0,0,0|1,0,1]=4 8962 B14R1.20 C=CCCNC(=O)c1cccc(c1)Br 1626a_100015191253_100000210664 [0,2,0,0,0,0|1,0,1]=4 8963 B14R1.20 C=CCCNC(=O)c1cccc(c1)Br 240690a_100015191253_100000210664 [0,2,0,0,0,0|1,0,1]=4 8964 B14R1.20 C=CCCNC(=O)c1cccc(c1)Br 527a_100015191253_100000210664 [0,2,0,0,0,0|1,0,1]=4 8965 B14R1.20 C=CCCNC(=O)c1cccc(c1)C 11a_100015191253_100000189346 [0,2,0,0,0,0|1,0,1]=4 8966 B14R1.20 C=CCCNC(=O)c1cccc(c1)C 1626a_100015191253_100000189346 [0,2,0,0,0,0|1,0,1]=4 8967 B14R1.20 C=CCCNC(=O)c1cccc(c1)C 240690a_100015191253_100000189346 [0,2,0,0,0,0|1,0,1]=4 8968 B14R1.20 C=CCCNC(=O)c1cccc(c1)C 527a_100015191253_100000189346 [0,2,0,0,0,0|1,0,1]=4 8969 B14R1.20 C=CCCNC(=O)c1cccc(c1)Cl 11a_100015191253_100000210390 [0,2,0,0,0,0|1,0,1]=4 8970 B14R1.20 C=CCCNC(=O)c1cccc(c1)Cl 1626a_100015191253_100000210390 [0,2,0,0,0,0|1,0,1]=4 8971 B14R1.20 C=CCCNC(=O)c1cccc(c1)Cl 240690a_100015191253_100000210390 [0,2,0,0,0,0|1,0,1]=4 8972 B14R1.20 C=CCCNC(=O)c1cccc(c1)Cl 527a_100015191253_100000210390 [0,2,0,0,0,0|1,0,1]=4 8973 B14R1.20 C=CCCNC(=O)c1cccc(c1)F 11a_100015191253_100000210950 [0,2,0,0,0,0|1,0,1]=4 8974 B14R1.20 C=CCCNC(=O)c1cccc(c1)F 1626a_100015191253_100000210950 [0,2,0,0,0,0|1,0,1]=4 8975 B14R1.20 C=CCCNC(=O)c1cccc(c1)F 240690a_100015191253_100000210950 [0,2,0,0,0,0|1,0,1]=4 8976 B14R1.20 C=CCCNC(=O)c1cccc(c1)F 527a_100015191253_100000210950 [0,2,0,0,0,0|1,0,1]=4 8977 B14R1.20 C=CCCNC(=O)c1cccc(c1)I 11a_100015191253_100000184098 [0,2,0,0,0,0|1,0,1]=4 8978 B14R1.20 C=CCCNC(=O)c1cccc(c1)I 1626a_100015191253_100000184098 [0,2,0,0,0,0|1,0,1]=4 8979 B14R1.20 C=CCCNC(=O)c1cccc(c1)I 240690a_100015191253_100000184098 [0,2,0,0,0,0|1,0,1]=4 8980 B14R1.20 C=CCCNC(=O)c1cccc(c1)I 527a_100015191253_100000184098 [0,2,0,0,0,0|1,0,1]=4 8981 B14R1.20 C=CCCNC(=O)c1cccc(c1)O 240690a_100015191253_100000183914 [0,2,0,0,0,0|1,0,1]=4 8982 B14R1.20 C=CCCNC(=O)c1cccc(c1)O 527a_100015191253_100000183914 [0,2,0,0,0,0|1,0,1]=4 8983 B14R1.20 C=CCOCC(=O)c1cccc(c1)Br 34a_200000210373_100000212080 [0,2,0,0,0,0|0,0,2]=4 8984 B14R1.20 C=CCOCC(=O)c1cccc(c1)C 34a_200000210373_100000739480 [0,2,0,0,0,0|0,0,2]=4 8985 B14R1.20 C=CCOCC(=O)c1cccc(c1)Cl 34a_200000210373_100000211444 [0,2,0,0,0,0|0,0,2]=4 8986 B14R1.20 C=CCOCC(=O)c1cccc(c1)Cl 7a_200011592804_100015514636 [0,2,0,0,0,0|0,0,2]=4 8987 B14R1.20 C=CCOCC(=O)c1cccc(c1)F 34a_100011592800_100015514636 [0,2,0,0,0,0|0,0,2]=4 8988 B14R1.20 C=CCOCC(=O)c1cccc(c1)F 34a_200000210373_100000215616 [0,2,0,0,0,0|0,0,2]=4 8989 B14R1.20 C=CCOCC(=O)c1cccc(c1)F 7a_100011592800_100015514636 [0,2,0,0,0,0|0,0,2]=4 8990 B14R1.20 C=CCOCC(=O)c1cccc(c1)O 34a_200000210373_100009813753 [0,2,0,0,0,0|0,0,2]=4 8991 B14R1.20 CC#CCNC(=O)c1cccc(c1)Br 11a_100000685387_100000210664 [0,2,0,0,0,0|1,0,1]=4 8992 B14R1.20 CC#CCNC(=O)c1cccc(c1)Br 1626a_100000685387_100000210664 [0,2,0,0,0,0|1,0,1]=4 8993 B14R1.20 CC#CCNC(=O)c1cccc(c1)Br 527a_100000685387_100000210664 [0,2,0,0,0,0|1,0,1]=4 8994 B14R1.20 CC#CCNC(=O)c1cccc(c1)C 11a_100000685387_100000189346 [0,2,0,0,0,0|1,0,1]=4 8995 B14R1.20 CC#CCNC(=O)c1cccc(c1)C 1626a_100000685387_100000189346 [0,2,0,0,0,0|1,0,1]=4 8996 B14R1.20 CC#CCNC(=O)c1cccc(c1)C 527a_100000685387_100000189346 [0,2,0,0,0,0|1,0,1]=4 8997 B14R1.20 CC#CCNC(=O)c1cccc(c1)Cl 11a_100000685387_100000210390 [0,2,0,0,0,0|1,0,1]=4 8998 B14R1.20 CC#CCNC(=O)c1cccc(c1)Cl 1626a_100000685387_100000210390 [0,2,0,0,0,0|1,0,1]=4 8999 B14R1.20 CC#CCNC(=O)c1cccc(c1)Cl 527a_100000685387_100000210390 [0,2,0,0,0,0|1,0,1]=4 9000 B14R1.20 CC#CCNC(=O)c1cccc(c1)F 11a_100000685387_100000210950 [0,2,0,0,0,0|1,0,1]=4 9001 B14R1.20 CC#CCNC(=O)c1cccc(c1)F 1626a_100000685387_100000210950 [0,2,0,0,0,0|1,0,1]=4 9002 B14R1.20 CC#CCNC(=O)c1cccc(c1)F 527a_100000685387_100000210950 [0,2,0,0,0,0|1,0,1]=4 9003 B14R1.20 CC#CCNC(=O)c1cccc(c1)I 11a_100000685387_100000184098 [0,2,0,0,0,0|1,0,1]=4 9004 B14R1.20 CC#CCNC(=O)c1cccc(c1)I 1626a_100000685387_100000184098 [0,2,0,0,0,0|1,0,1]=4 9005 B14R1.20 CC#CCNC(=O)c1cccc(c1)I 527a_100000685387_100000184098 [0,2,0,0,0,0|1,0,1]=4 9006 B14R1.20 CC#CCNC(=O)c1cccc(c1)O 527a_100000685387_100000183914 [0,2,0,0,0,0|1,0,1]=4 9007 B14R1.20 CC(OCCCF)c1cccc(c1)Br 34a_100000246457_100011934791 [0,2,0,0,0,0|1,0,1]=4 9008 B14R1.20 CC(OCCCF)c1cccc(c1)Br 7a_100000246457_100011934791 [0,2,0,0,0,0|1,0,1]=4 9009 B14R1.20 CC(OCCCF)c1cccc(c1)F 34a_100000744526_100011934791 [0,2,0,0,0,0|1,0,1]=4 9010 B14R1.20 CC(OCCCF)c1cccc(c1)F 7a_100000744526_100011934791 [0,2,0,0,0,0|1,0,1]=4 9011 B14R1.20 CC(OCCCF)c1cccc(c1)I 34a_100013085317_100011934791 [0,2,0,0,0,0|1,0,1]=4 9012 B14R1.20 CC(OCCCF)c1cccc(c1)I 7a_100013085317_100011934791 [0,2,0,0,0,0|1,0,1]=4 9013 B14R1.20 CC(OCCCF)c1cccc(c1)N 34a_100011217120_100011934791 [0,2,0,0,0,0|1,0,1]=4 9014 B14R1.20 CC(OCCCF)c1cccc(c1)N 7a_100011217120_100011934791 [0,2,0,0,0,0|1,0,1]=4 9015 B14R1.20 CC(OCCCO)c1cccc(c1)Br 34a_100000246457_100000230001 [0,2,0,0,0,0|1,0,1]=4 9016 B14R1.20 CC(OCCCO)c1cccc(c1)Br 7a_100000246457_100011215043 [0,2,0,0,0,0|1,0,1]=4 9017 B14R1.20 CC(OCCCO)c1cccc(c1)F 34a_100000744526_100000230001 [0,2,0,0,0,0|1,0,1]=4 9018 B14R1.20 CC(OCCCO)c1cccc(c1)F 7a_100000744526_100011215043 [0,2,0,0,0,0|1,0,1]=4 9019 B14R1.20 CC(OCCCO)c1cccc(c1)I 34a_100013085317_100000230001 [0,2,0,0,0,0|1,0,1]=4 9020 B14R1.20 CC(OCCCO)c1cccc(c1)I 7a_100013085317_100011215043 [0,2,0,0,0,0|1,0,1]=4 9021 B14R1.20 CC(OCCCO)c1cccc(c1)N 34a_100011217120_100000230001 [0,2,0,0,0,0|1,0,1]=4 9022 B14R1.20 CC(OCCCO)c1cccc(c1)N 7a_100011217120_100011215043 [0,2,0,0,0,0|1,0,1]=4 9023 B14R1.20 CC/C=C\CC(=O)c1cccc(c1)Br 1458a_100000210664_100103147603 [0,2,0,0,0,0|1,0,1]=4 9024 B14R1.20 CC/C=C\CC(=O)c1cccc(c1)C 1458a_100000189346_100103147603 [0,2,0,0,0,0|1,0,1]=4 9025 B14R1.20 CC/C=C\CC(=O)c1cccc(c1)Cl 1458a_100000210390_100103147603 [0,2,0,0,0,0|1,0,1]=4 9026 B14R1.20 CC/C=C\CC(=O)c1cccc(c1)F 1458a_100000210950_100103147603 [0,2,0,0,0,0|1,0,1]=4 9027 B14R1.20 CC/C=C\CC(=O)c1cccc(c1)I 1458a_100000184098_100103147603 [0,2,0,0,0,0|1,0,1]=4 9028 B14R1.20 CC/C=C\CC(=O)c1cccc(c1)O 1458a_100000183914_100103147603 [0,2,0,0,0,0|1,0,1]=4 9029 B14R1.20 CCC#CCC(=O)c1cccc(c1)Br 1458a_100000210664_100009813939 [0,2,0,0,0,0|1,0,1]=4 9030 B14R1.20 CCC#CCC(=O)c1cccc(c1)C 1458a_100000189346_100009813939 [0,2,0,0,0,0|1,0,1]=4 9031 B14R1.20 CCC#CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100009813939 [0,2,0,0,0,0|1,0,1]=4 9032 B14R1.20 CCC#CCC(=O)c1cccc(c1)F 1458a_100000210950_100009813939 [0,2,0,0,0,0|1,0,1]=4 9033 B14R1.20 CCC#CCC(=O)c1cccc(c1)I 1458a_100000184098_100009813939 [0,2,0,0,0,0|1,0,1]=4 9034 B14R1.20 CCC#CCC(=O)c1cccc(c1)O 1458a_100000183914_100009813939 [0,2,0,0,0,0|1,0,1]=4 9035 B14R1.20 CCC=NNC(=O)c1cccc(c1)Br 4a_100000189783_100000210100 [0,2,0,0,0,0|1,0,1]=4 9036 B14R1.20 CCC=NNC(=O)c1cccc(c1)C 4a_100000189845_100000210100 [0,2,0,0,0,0|1,0,1]=4 9037 B14R1.20 CCC=NNC(=O)c1cccc(c1)Cl 4a_100000183659_100000210100 [0,2,0,0,0,0|1,0,1]=4 9038 B14R1.20 CCC=NNC(=O)c1cccc(c1)F 4a_100000189798_100000210100 [0,2,0,0,0,0|1,0,1]=4 9039 B14R1.20 CCC=NNC(=O)c1cccc(c1)I 4a_100000186306_100000210100 [0,2,0,0,0,0|1,0,1]=4 9040 B14R1.20 CCCCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210326 [0,2,0,0,0,0|1,0,0]=3 9041 B14R1.20 CCCCCC(=O)c1cccc(c1)C 1458a_100000189346_100000210326 [0,2,0,0,0,0|1,0,0]=3 9042 B14R1.20 CCCCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210326 [0,2,0,0,0,0|1,0,0]=3 9043 B14R1.20 CCCCCC(=O)c1cccc(c1)F 1458a_100000210950_100000210326 [0,2,0,0,0,0|1,0,0]=3 9044 B14R1.20 CCCCCC(=O)c1cccc(c1)I 1458a_100000184098_100000210326 [0,2,0,0,0,0|1,0,0]=3 9045 B14R1.20 CCCCCC(=O)c1cccc(c1)O 1458a_100000183914_100000210326 [0,2,0,0,0,0|1,0,0]=3 9046 B14R1.20 CCCCNC(=O)c1cccc(c1)Br 11a_100000102301_100000210664 [0,2,0,0,0,0|1,0,0]=3 9047 B14R1.20 CCCCNC(=O)c1cccc(c1)Br 1626a_100000102301_100000210664 [0,2,0,0,0,0|1,0,0]=3 9048 B14R1.20 CCCCNC(=O)c1cccc(c1)Br 240690a_100000102301_100000210664 [0,2,0,0,0,0|1,0,0]=3 9049 B14R1.20 CCCCNC(=O)c1cccc(c1)Br 527a_100000102301_100000210664 [0,2,0,0,0,0|1,0,0]=3 9050 B14R1.20 CCCCNC(=O)c1cccc(c1)C 11a_100000102301_100000189346 [0,2,0,0,0,0|1,0,0]=3 9051 B14R1.20 CCCCNC(=O)c1cccc(c1)C 1626a_100000102301_100000189346 [0,2,0,0,0,0|1,0,0]=3 9052 B14R1.20 CCCCNC(=O)c1cccc(c1)C 240690a_100000102301_100000189346 [0,2,0,0,0,0|1,0,0]=3 9053 B14R1.20 CCCCNC(=O)c1cccc(c1)C 527a_100000102301_100000189346 [0,2,0,0,0,0|1,0,0]=3 9054 B14R1.20 CCCCNC(=O)c1cccc(c1)Cl 11a_100000102301_100000210390 [0,2,0,0,0,0|1,0,0]=3 9055 B14R1.20 CCCCNC(=O)c1cccc(c1)Cl 1626a_100000102301_100000210390 [0,2,0,0,0,0|1,0,0]=3 9056 B14R1.20 CCCCNC(=O)c1cccc(c1)Cl 240690a_100000102301_100000210390 [0,2,0,0,0,0|1,0,0]=3 9057 B14R1.20 CCCCNC(=O)c1cccc(c1)Cl 527a_100000102301_100000210390 [0,2,0,0,0,0|1,0,0]=3 9058 B14R1.20 CCCCNC(=O)c1cccc(c1)F 11a_100000102301_100000210950 [0,2,0,0,0,0|1,0,0]=3 9059 B14R1.20 CCCCNC(=O)c1cccc(c1)F 1626a_100000102301_100000210950 [0,2,0,0,0,0|1,0,0]=3 9060 B14R1.20 CCCCNC(=O)c1cccc(c1)F 240690a_100000102301_100000210950 [0,2,0,0,0,0|1,0,0]=3 9061 B14R1.20 CCCCNC(=O)c1cccc(c1)F 527a_100000102301_100000210950 [0,2,0,0,0,0|1,0,0]=3 9062 B14R1.20 CCCCNC(=O)c1cccc(c1)I 11a_100000102301_100000184098 [0,2,0,0,0,0|1,0,0]=3 9063 B14R1.20 CCCCNC(=O)c1cccc(c1)I 1626a_100000102301_100000184098 [0,2,0,0,0,0|1,0,0]=3 9064 B14R1.20 CCCCNC(=O)c1cccc(c1)I 240690a_100000102301_100000184098 [0,2,0,0,0,0|1,0,0]=3 9065 B14R1.20 CCCCNC(=O)c1cccc(c1)I 527a_100000102301_100000184098 [0,2,0,0,0,0|1,0,0]=3 9066 B14R1.20 CCCCNC(=O)c1cccc(c1)O 240690a_100000102301_100000183914 [0,2,0,0,0,0|1,0,0]=3 9067 B14R1.20 CCCCNC(=O)c1cccc(c1)O 271570a_203496583355_200000154868 [0,2,0,0,0,0|1,0,0]=3 9068 B14R1.20 CCCCNC(=O)c1cccc(c1)O 527a_100000102301_100000183914 [0,2,0,0,0,0|1,0,0]=3 9069 B14R1.20 CCCCNC(=O)c1cncc(c1)O 271570a_203496583355_200000154871 [0,2,0,0,0,0|2,0,0]=4 9070 B14R1.20 CCCCOC(C)c1cccc(c1)Br 34a_100000246457_100000210210 [0,2,0,0,0,0|1,0,1]=4 9071 B14R1.20 CCCCOC(C)c1cccc(c1)Br 7a_100000246457_100000210211 [0,2,0,0,0,0|1,0,1]=4 9072 B14R1.20 CCCCOC(C)c1cccc(c1)C 34a_100000757818_100000210210 [0,2,0,0,0,0|1,0,1]=4 9073 B14R1.20 CCCCOC(C)c1cccc(c1)C 7a_100000757818_100000210211 [0,2,0,0,0,0|1,0,1]=4 9074 B14R1.20 CCCCOC(C)c1cccc(c1)F 34a_100000744526_100000210210 [0,2,0,0,0,0|1,0,1]=4 9075 B14R1.20 CCCCOC(C)c1cccc(c1)F 7a_100000744526_100000210211 [0,2,0,0,0,0|1,0,1]=4 9076 B14R1.20 CCCCOC(C)c1cccc(c1)I 34a_100013085317_100000210210 [0,2,0,0,0,0|1,0,1]=4 9077 B14R1.20 CCCCOC(C)c1cccc(c1)I 7a_100013085317_100000210211 [0,2,0,0,0,0|1,0,1]=4 9078 B14R1.20 CCCCOC(C)c1cccc(c1)N 34a_100011217120_100000210210 [0,2,0,0,0,0|1,0,1]=4 9079 B14R1.20 CCCCOC(C)c1cccc(c1)N 7a_100011217120_100000210211 [0,2,0,0,0,0|1,0,1]=4 9080 B14R1.20 CCCCO[C@H](C)c1cccc(c1)Cl 34a_100000747380_100000210210 [0,2,0,0,0,0|1,0,1]=4 9081 B14R1.20 CCCCO[C@H](C)c1cccc(c1)Cl 7a_100000747380_100000210211 [0,2,0,0,0,0|1,0,1]=4 9082 B14R1.20 CCCNN=C(C)c1cccc(c1)Br 4a_100000740057_100000210093 [0,2,0,0,0,0|2,0,0]=4 9083 B14R1.20 CCCNN=C(C)c1cccc(c1)C 4a_100000740057_100000211476 [0,2,0,0,0,0|2,0,0]=4 9084 B14R1.20 CCCNN=C(C)c1cccc(c1)Cl 4a_100000740057_200000210964 [0,2,0,0,0,0|2,0,0]=4 9085 B14R1.20 CCCNN=C(C)c1cccc(c1)F 4a_100000740057_100000187083 [0,2,0,0,0,0|2,0,0]=4 9086 B14R1.20 CCCNN=C(C)c1cccc(c1)I 4a_100000740057_100011356966 [0,2,0,0,0,0|2,0,0]=4 9087 B14R1.20 CCCNN=C(C)c1cccc(c1)O 4a_100000740057_100000211620 [0,2,0,0,0,0|2,0,0]=4 9088 B14R1.20 CCCNNC(=O)c1cccc(c1)Br 22a_100000740057_100000210664 [0,2,0,0,0,0|1,0,0]=3 9089 B14R1.20 CCCNNC(=O)c1cccc(c1)C 22a_100000740057_100000189346 [0,2,0,0,0,0|1,0,0]=3 9090 B14R1.20 CCCNNC(=O)c1cccc(c1)Cl 22a_100000740057_100000210390 [0,2,0,0,0,0|1,0,0]=3 9091 B14R1.20 CCCNNC(=O)c1cccc(c1)F 22a_100000740057_100000210950 [0,2,0,0,0,0|1,0,0]=3 9092 B14R1.20 CCCNNC(=O)c1cccc(c1)I 22a_100000740057_100000184098 [0,2,0,0,0,0|1,0,0]=3 9093 B14R1.20 CCCNNC(=O)c1cccc(c1)O 22a_100000740057_100000183914 [0,2,0,0,0,0|1,0,0]=3 9094 B14R1.20 CCCOCC(=O)c1cccc(c1)Br 34a_100000210258_100000212080 [0,2,0,0,0,0|0,0,0]=2 9095 B14R1.20 CCCOCC(=O)c1cccc(c1)C 34a_100000210258_100000739480 [0,2,0,0,0,0|0,0,0]=2 9096 B14R1.20 CCCOCC(=O)c1cccc(c1)Cl 34a_100000210258_100000211444 [0,2,0,0,0,0|0,0,0]=2 9097 B14R1.20 CCCOCC(=O)c1cccc(c1)Cl 7a_200011592804_100000210303 [0,2,0,0,0,0|0,0,0]=2 9098 B14R1.20 CCCOCC(=O)c1cccc(c1)F 34a_100000210258_100000215616 [0,2,0,0,0,0|0,0,0]=2 9099 B14R1.20 CCCOCC(=O)c1cccc(c1)F 34a_100011592800_100000210303 [0,2,0,0,0,0|0,0,0]=2 9100 B14R1.20 CCCOCC(=O)c1cccc(c1)F 7a_100011592800_100000210303 [0,2,0,0,0,0|0,0,0]=2 9101 B14R1.20 CCCOCC(=O)c1cccc(c1)O 34a_100000210258_100009813753 [0,2,0,0,0,0|0,0,0]=2 9102 B14R1.20 CCCOCC(N)c1cccc(c1)Br 34a_100000690078_100000210303 [0,2,0,0,0,0|1,0,1]=4 9103 B14R1.20 CCCOC[C@@H](N)c1cccc(c1)C 34a_100009818812_100000210303 [0,2,0,0,0,0|1,0,1]=4 9104 B14R1.20 CCCOC[C@@H](N)c1cccc(c1)F 34a_100020641251_100000210303 [0,2,0,0,0,0|1,0,1]=4 9105 B14R1.20 CCCOC[C@H](N)c1cccc(c1)Cl 34a_100032004910_100000210303 [0,2,0,0,0,0|1,0,1]=4 9106 B14R1.20 CCCSCC(=O)c1cccc(c1)Br 62a_100000210303_100000212080 [0,2,0,0,0,0|0,1,0]=3 9107 B14R1.20 CCCSCC(=O)c1cccc(c1)Br 62a_100000212080_100000210303 [0,2,0,0,0,0|0,1,0]=3 9108 B14R1.20 CCCSCC(=O)c1cccc(c1)C 62a_100000210303_100000739480 [0,2,0,0,0,0|0,1,0]=3 9109 B14R1.20 CCCSCC(=O)c1cccc(c1)C 62a_100000739480_100000210303 [0,2,0,0,0,0|0,1,0]=3 9110 B14R1.20 CCCSCC(=O)c1cccc(c1)Cl 62a_100000210303_100000211444 [0,2,0,0,0,0|0,1,0]=3 9111 B14R1.20 CCCSCC(=O)c1cccc(c1)Cl 62a_100000211444_100000210303 [0,2,0,0,0,0|0,1,0]=3 9112 B14R1.20 CCCSCC(=O)c1cccc(c1)F 62a_100000210303_100000215616 [0,2,0,0,0,0|0,1,0]=3 9113 B14R1.20 CCCSCC(=O)c1cccc(c1)F 62a_100000215616_100000210303 [0,2,0,0,0,0|0,1,0]=3 9114 B14R1.20 CCCSCC(=O)c1cccc(c1)O 62a_100000210303_100009813753 [0,2,0,0,0,0|0,1,0]=3 9115 B14R1.20 CCCSCC(=O)c1cccc(c1)O 62a_100009813753_100000210303 [0,2,0,0,0,0|0,1,0]=3 9116 B14R1.20 CCCSCC(=O)c1ccnc(c1)Cl 62a_100000210303_100009817076 [0,2,0,0,0,0|1,1,0]=4 9117 B14R1.20 CCCSCC(=O)c1ccnc(c1)Cl 62a_100009817076_100000210303 [0,2,0,0,0,0|1,1,0]=4 9118 B14R1.20 CCOCCC(=O)c1cccc(c1)Br 1458a_100000210664_100011215890 [0,2,0,0,0,0|1,0,0]=3 9119 B14R1.20 CCOCCC(=O)c1cccc(c1)C 1458a_100000189346_100011215890 [0,2,0,0,0,0|1,0,0]=3 9120 B14R1.20 CCOCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100011215890 [0,2,0,0,0,0|1,0,0]=3 9121 B14R1.20 CCOCCC(=O)c1cccc(c1)F 1458a_100000210950_100011215890 [0,2,0,0,0,0|1,0,0]=3 9122 B14R1.20 CCOCCC(=O)c1cccc(c1)I 1458a_100000184098_100011215890 [0,2,0,0,0,0|1,0,0]=3 9123 B14R1.20 CCOCCC(=O)c1cccc(c1)O 1458a_100000183914_100011215890 [0,2,0,0,0,0|1,0,0]=3 9124 B14R1.20 CCSCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000757381 [0,2,0,0,0,0|1,0,0]=3 9125 B14R1.20 CCSCCC(=O)c1cccc(c1)C 1458a_100000189346_100000757381 [0,2,0,0,0,0|1,0,0]=3 9126 B14R1.20 CCSCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000757381 [0,2,0,0,0,0|1,0,0]=3 9127 B14R1.20 CCSCCC(=O)c1cccc(c1)F 1458a_100000210950_100000757381 [0,2,0,0,0,0|1,0,0]=3 9128 B14R1.20 CCSCCC(=O)c1cccc(c1)I 1458a_100000184098_100000757381 [0,2,0,0,0,0|1,0,0]=3 9129 B14R1.20 CCSCCC(=O)c1cccc(c1)O 1458a_100000183914_100000757381 [0,2,0,0,0,0|1,0,0]=3 9130 B14R1.20 COCCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000740836 [0,2,0,0,0,0|1,0,0]=3 9131 B14R1.20 COCCCC(=O)c1cccc(c1)C 1458a_100000189346_100000740836 [0,2,0,0,0,0|1,0,0]=3 9132 B14R1.20 COCCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000740836 [0,2,0,0,0,0|1,0,0]=3 9133 B14R1.20 COCCCC(=O)c1cccc(c1)F 1458a_100000210950_100000740836 [0,2,0,0,0,0|1,0,0]=3 9134 B14R1.20 COCCCC(=O)c1cccc(c1)I 1458a_100000184098_100000740836 [0,2,0,0,0,0|1,0,0]=3 9135 B14R1.20 COCCCC(=O)c1cccc(c1)O 1458a_100000183914_100000740836 [0,2,0,0,0,0|1,0,0]=3 9136 B14R1.20 COCCNC(=O)c1cccc(c1)Br 1626a_100000209980_100000210664 [0,2,0,0,0,0|1,0,0]=3 9137 B14R1.20 COCCNC(=O)c1cccc(c1)Br 240690a_100000209980_100000210664 [0,2,0,0,0,0|1,0,0]=3 9138 B14R1.20 COCCNC(=O)c1cccc(c1)Br 34a_200000158903_200000210301 [0,2,0,0,0,0|1,0,0]=3 9139 B14R1.20 COCCNC(=O)c1cccc(c1)Br 527a_100000209980_100000210664 [0,2,0,0,0,0|1,0,0]=3 9140 B14R1.20 COCCNC(=O)c1cccc(c1)Br 7a_200000158903_200000210301 [0,2,0,0,0,0|1,0,0]=3 9141 B14R1.20 COCCNC(=O)c1cccc(c1)C 1626a_100000209980_100000189346 [0,2,0,0,0,0|1,0,0]=3 9142 B14R1.20 COCCNC(=O)c1cccc(c1)C 240690a_100000209980_100000189346 [0,2,0,0,0,0|1,0,0]=3 9143 B14R1.20 COCCNC(=O)c1cccc(c1)C 527a_100000209980_100000189346 [0,2,0,0,0,0|1,0,0]=3 9144 B14R1.20 COCCNC(=O)c1cccc(c1)Cl 1626a_100000209980_100000210390 [0,2,0,0,0,0|1,0,0]=3 9145 B14R1.20 COCCNC(=O)c1cccc(c1)Cl 240690a_100000209980_100000210390 [0,2,0,0,0,0|1,0,0]=3 9146 B14R1.20 COCCNC(=O)c1cccc(c1)Cl 527a_100000209980_100000210390 [0,2,0,0,0,0|1,0,0]=3 9147 B14R1.20 COCCNC(=O)c1cccc(c1)F 1626a_100000209980_100000210950 [0,2,0,0,0,0|1,0,0]=3 9148 B14R1.20 COCCNC(=O)c1cccc(c1)F 240690a_100000209980_100000210950 [0,2,0,0,0,0|1,0,0]=3 9149 B14R1.20 COCCNC(=O)c1cccc(c1)F 527a_100000209980_100000210950 [0,2,0,0,0,0|1,0,0]=3 9150 B14R1.20 COCCNC(=O)c1cccc(c1)I 1626a_100000209980_100000184098 [0,2,0,0,0,0|1,0,0]=3 9151 B14R1.20 COCCNC(=O)c1cccc(c1)I 240690a_100000209980_100000184098 [0,2,0,0,0,0|1,0,0]=3 9152 B14R1.20 COCCNC(=O)c1cccc(c1)I 527a_100000209980_100000184098 [0,2,0,0,0,0|1,0,0]=3 9153 B14R1.20 COCCNC(=O)c1cccc(c1)O 240690a_100000209980_100000183914 [0,2,0,0,0,0|1,0,0]=3 9154 B14R1.20 COCCNC(=O)c1cccc(c1)O 527a_100000209980_100000183914 [0,2,0,0,0,0|1,0,0]=3 9155 B14R1.20 COCCOC(C)c1cccc(c1)Br 34a_100000246457_100011201679 [0,2,0,0,0,0|1,0,1]=4 9156 B14R1.20 COCCOC(C)c1cccc(c1)Br 7a_100000246457_100000233755 [0,2,0,0,0,0|1,0,1]=4 9157 B14R1.20 COCCOC(C)c1cccc(c1)C 34a_100000757818_100011201679 [0,2,0,0,0,0|1,0,1]=4 9158 B14R1.20 COCCOC(C)c1cccc(c1)C 7a_100000757818_100000233755 [0,2,0,0,0,0|1,0,1]=4 9159 B14R1.20 COCCOC(C)c1cccc(c1)F 34a_100000744526_100011201679 [0,2,0,0,0,0|1,0,1]=4 9160 B14R1.20 COCCOC(C)c1cccc(c1)F 7a_100000744526_100000233755 [0,2,0,0,0,0|1,0,1]=4 9161 B14R1.20 COCCOC(C)c1cccc(c1)I 34a_100013085317_100011201679 [0,2,0,0,0,0|1,0,1]=4 9162 B14R1.20 COCCOC(C)c1cccc(c1)I 7a_100013085317_100000233755 [0,2,0,0,0,0|1,0,1]=4 9163 B14R1.20 COCCOC(C)c1cccc(c1)N 34a_100011217120_100011201679 [0,2,0,0,0,0|1,0,1]=4 9164 B14R1.20 COCCOC(C)c1cccc(c1)N 7a_100011217120_100000233755 [0,2,0,0,0,0|1,0,1]=4 9165 B14R1.20 COCCO[C@H](C)c1cccc(c1)Cl 34a_100000747380_100011201679 [0,2,0,0,0,0|1,0,1]=4 9166 B14R1.20 COCCO[C@H](C)c1cccc(c1)Cl 7a_100000747380_100000233755 [0,2,0,0,0,0|1,0,1]=4 9167 B14R1.20 COCSCC(=O)c1cccc(c1)Br 62a_100000212080_100000766300 [0,2,0,0,0,0|1,1,0]=4 9168 B14R1.20 COCSCC(=O)c1cccc(c1)Br 62a_100000766300_100000212080 [0,2,0,0,0,0|1,1,0]=4 9169 B14R1.20 COCSCC(=O)c1cccc(c1)C 62a_100000739480_100000766300 [0,2,0,0,0,0|1,1,0]=4 9170 B14R1.20 COCSCC(=O)c1cccc(c1)C 62a_100000766300_100000739480 [0,2,0,0,0,0|1,1,0]=4 9171 B14R1.20 COCSCC(=O)c1cccc(c1)Cl 62a_100000211444_100000766300 [0,2,0,0,0,0|1,1,0]=4 9172 B14R1.20 COCSCC(=O)c1cccc(c1)Cl 62a_100000766300_100000211444 [0,2,0,0,0,0|1,1,0]=4 9173 B14R1.20 COCSCC(=O)c1cccc(c1)F 62a_100000215616_100000766300 [0,2,0,0,0,0|1,1,0]=4 9174 B14R1.20 COCSCC(=O)c1cccc(c1)F 62a_100000766300_100000215616 [0,2,0,0,0,0|1,1,0]=4 9175 B14R1.20 COCSCC(=O)c1cccc(c1)O 62a_100000766300_100009813753 [0,2,0,0,0,0|1,1,0]=4 9176 B14R1.20 COCSCC(=O)c1cccc(c1)O 62a_100009813753_100000766300 [0,2,0,0,0,0|1,1,0]=4 9177 B14R1.20 CSCCNC(=O)c1cccc(c1)Br 11a_100020590264_100000210664 [0,2,0,0,0,0|1,0,0]=3 9178 B14R1.20 CSCCNC(=O)c1cccc(c1)Br 1626a_100020590264_100000210664 [0,2,0,0,0,0|1,0,0]=3 9179 B14R1.20 CSCCNC(=O)c1cccc(c1)Br 240690a_100020590264_100000210664 [0,2,0,0,0,0|1,0,0]=3 9180 B14R1.20 CSCCNC(=O)c1cccc(c1)Br 527a_100020590264_100000210664 [0,2,0,0,0,0|1,0,0]=3 9181 B14R1.20 CSCCNC(=O)c1cccc(c1)C 11a_100020590264_100000189346 [0,2,0,0,0,0|1,0,0]=3 9182 B14R1.20 CSCCNC(=O)c1cccc(c1)C 1626a_100020590264_100000189346 [0,2,0,0,0,0|1,0,0]=3 9183 B14R1.20 CSCCNC(=O)c1cccc(c1)C 240690a_100020590264_100000189346 [0,2,0,0,0,0|1,0,0]=3 9184 B14R1.20 CSCCNC(=O)c1cccc(c1)C 527a_100020590264_100000189346 [0,2,0,0,0,0|1,0,0]=3 9185 B14R1.20 CSCCNC(=O)c1cccc(c1)Cl 11a_100020590264_100000210390 [0,2,0,0,0,0|1,0,0]=3 9186 B14R1.20 CSCCNC(=O)c1cccc(c1)Cl 1626a_100020590264_100000210390 [0,2,0,0,0,0|1,0,0]=3 9187 B14R1.20 CSCCNC(=O)c1cccc(c1)Cl 240690a_100020590264_100000210390 [0,2,0,0,0,0|1,0,0]=3 9188 B14R1.20 CSCCNC(=O)c1cccc(c1)Cl 527a_100020590264_100000210390 [0,2,0,0,0,0|1,0,0]=3 9189 B14R1.20 CSCCNC(=O)c1cccc(c1)F 11a_100020590264_100000210950 [0,2,0,0,0,0|1,0,0]=3 9190 B14R1.20 CSCCNC(=O)c1cccc(c1)F 1626a_100020590264_100000210950 [0,2,0,0,0,0|1,0,0]=3 9191 B14R1.20 CSCCNC(=O)c1cccc(c1)F 240690a_100020590264_100000210950 [0,2,0,0,0,0|1,0,0]=3 9192 B14R1.20 CSCCNC(=O)c1cccc(c1)F 527a_100020590264_100000210950 [0,2,0,0,0,0|1,0,0]=3 9193 B14R1.20 CSCCNC(=O)c1cccc(c1)I 11a_100020590264_100000184098 [0,2,0,0,0,0|1,0,0]=3 9194 B14R1.20 CSCCNC(=O)c1cccc(c1)I 1626a_100020590264_100000184098 [0,2,0,0,0,0|1,0,0]=3 9195 B14R1.20 CSCCNC(=O)c1cccc(c1)I 240690a_100020590264_100000184098 [0,2,0,0,0,0|1,0,0]=3 9196 B14R1.20 CSCCNC(=O)c1cccc(c1)I 527a_100020590264_100000184098 [0,2,0,0,0,0|1,0,0]=3 9197 B14R1.20 CSCCNC(=O)c1cccc(c1)O 240690a_100020590264_100000183914 [0,2,0,0,0,0|1,0,0]=3 9198 B14R1.20 CSCCNC(=O)c1cccc(c1)O 527a_100020590264_100000183914 [0,2,0,0,0,0|1,0,0]=3 9199 B14R1.20 CSCCOC(C)c1cccc(c1)Br 34a_100000246457_100000212216 [0,2,0,0,0,0|1,0,1]=4 9200 B14R1.20 CSCCOC(C)c1cccc(c1)Br 7a_100000246457_100000212216 [0,2,0,0,0,0|1,0,1]=4 9201 B14R1.20 CSCCOC(C)c1cccc(c1)C 34a_100000757818_100000212216 [0,2,0,0,0,0|1,0,1]=4 9202 B14R1.20 CSCCOC(C)c1cccc(c1)C 7a_100000757818_100000212216 [0,2,0,0,0,0|1,0,1]=4 9203 B14R1.20 CSCCOC(C)c1cccc(c1)F 34a_100000744526_100000212216 [0,2,0,0,0,0|1,0,1]=4 9204 B14R1.20 CSCCOC(C)c1cccc(c1)F 7a_100000744526_100000212216 [0,2,0,0,0,0|1,0,1]=4 9205 B14R1.20 CSCCOC(C)c1cccc(c1)I 34a_100013085317_100000212216 [0,2,0,0,0,0|1,0,1]=4 9206 B14R1.20 CSCCOC(C)c1cccc(c1)I 7a_100013085317_100000212216 [0,2,0,0,0,0|1,0,1]=4 9207 B14R1.20 CSCCOC(C)c1cccc(c1)N 34a_100011217120_100000212216 [0,2,0,0,0,0|1,0,1]=4 9208 B14R1.20 CSCCOC(C)c1cccc(c1)N 7a_100011217120_100000212216 [0,2,0,0,0,0|1,0,1]=4 9209 B14R1.20 CSCCO[C@H](C)c1cccc(c1)Cl 34a_100000747380_100000212216 [0,2,0,0,0,0|1,0,1]=4 9210 B14R1.20 CSCCO[C@H](C)c1cccc(c1)Cl 7a_100000747380_100000212216 [0,2,0,0,0,0|1,0,1]=4 9211 B14R1.20 CSCOCC(=O)c1cccc(c1)F 34a_100011592800_100011218213 [0,2,0,0,0,0|1,0,0]=3 9212 B14R1.20 CSCSCC(=O)c1cccc(c1)Br 62a_100000212080_100011218213 [0,2,0,0,0,0|1,1,0]=4 9213 B14R1.20 CSCSCC(=O)c1cccc(c1)Br 62a_100011218213_100000212080 [0,2,0,0,0,0|1,1,0]=4 9214 B14R1.20 CSCSCC(=O)c1cccc(c1)C 62a_100000739480_100011218213 [0,2,0,0,0,0|1,1,0]=4 9215 B14R1.20 CSCSCC(=O)c1cccc(c1)C 62a_100011218213_100000739480 [0,2,0,0,0,0|1,1,0]=4 9216 B14R1.20 CSCSCC(=O)c1cccc(c1)Cl 62a_100000211444_100011218213 [0,2,0,0,0,0|1,1,0]=4 9217 B14R1.20 CSCSCC(=O)c1cccc(c1)Cl 62a_100011218213_100000211444 [0,2,0,0,0,0|1,1,0]=4 9218 B14R1.20 CSCSCC(=O)c1cccc(c1)F 62a_100000215616_100011218213 [0,2,0,0,0,0|1,1,0]=4 9219 B14R1.20 CSCSCC(=O)c1cccc(c1)F 62a_100011218213_100000215616 [0,2,0,0,0,0|1,1,0]=4 9220 B14R1.20 CSCSCC(=O)c1cccc(c1)O 62a_100009813753_100011218213 [0,2,0,0,0,0|1,1,0]=4 9221 B14R1.20 CSCSCC(=O)c1cccc(c1)O 62a_100011218213_100009813753 [0,2,0,0,0,0|1,1,0]=4 9222 B14R1.20 C[C@@H](OCCCF)c1cccc(c1)Cl 34a_100000747380_100011934791 [0,2,0,0,0,0|1,0,1]=4 9223 B14R1.20 C[C@@H](OCCCF)c1cccc(c1)Cl 7a_100000747380_100011934791 [0,2,0,0,0,0|1,0,1]=4 9224 B14R1.20 C[C@@H](OCCCO)c1cccc(c1)Cl 34a_100000747380_100000230001 [0,2,0,0,0,0|1,0,1]=4 9225 B14R1.20 C[C@@H](OCCCO)c1cccc(c1)Cl 7a_100000747380_100011215043 [0,2,0,0,0,0|1,0,1]=4 9226 B14R1.20 Cc1cccc(c1)C(=O)CCCC#N 1458a_100000189346_100000211468 [0,2,0,0,0,0|1,0,1]=4 9227 B14R1.20 Cc1cccc(c1)C(=O)CCCCF 1458a_100000189346_100000729493 [0,2,0,0,0,0|1,0,0]=3 9228 B14R1.20 Cc1cccc(c1)C(=O)CCCCO 1458a_100000189346_100000210776 [0,2,0,0,0,0|1,0,0]=3 9229 B14R1.20 Cc1cccc(c1)C(=O)CNCCF 34a_100000724931_100000739480 [0,2,0,0,0,0|2,0,0]=4 9230 B14R1.20 Cc1cccc(c1)C(=O)CNCCO 2230a_100016997473_100000739480 [0,2,0,0,0,0|2,0,0]=4 9231 B14R1.20 Cc1cccc(c1)C(=O)CNCCO 34a_100016990907_100000739480 [0,2,0,0,0,0|2,0,0]=4 9232 B14R1.20 Cc1cccc(c1)C(=O)COCCBr 34a_100000211926_100000739480 [0,2,0,0,0,0|1,0,0]=3 9233 B14R1.20 Cc1cccc(c1)C(=O)COCCN 34a_100000210304_100000739480 [0,2,0,0,0,0|1,0,0]=3 9234 B14R1.20 Cc1cccc(c1)C(=O)CSCCF 62a_100000739480_100011217306 [0,2,0,0,0,0|1,1,0]=4 9235 B14R1.20 Cc1cccc(c1)C(=O)CSCCF 62a_100011217306_100000739480 [0,2,0,0,0,0|1,1,0]=4 9236 B14R1.20 Cc1cccc(c1)C(=O)CSCCO 62a_100000211926_100000739480 [0,2,0,0,0,0|1,1,0]=4 9237 B14R1.20 Cc1cccc(c1)C(=O)CSCCO 62a_100000739480_100000211926 [0,2,0,0,0,0|1,1,0]=4 9238 B14R1.20 Cc1cccc(c1)C(=O)NCCC#N 11a_100000720768_100000189346 [0,2,0,0,0,0|1,0,1]=4 9239 B14R1.20 Cc1cccc(c1)C(=O)NCCC#N 1626a_100000720768_100000189346 [0,2,0,0,0,0|1,0,1]=4 9240 B14R1.20 Cc1cccc(c1)C(=O)NCCC#N 240690a_100000720768_100000189346 [0,2,0,0,0,0|1,0,1]=4 9241 B14R1.20 Cc1cccc(c1)C(=O)NCCC#N 527a_100000720768_100000189346 [0,2,0,0,0,0|1,0,1]=4 9242 B14R1.20 Cc1cccc(c1)C(=O)NCCCF 11a_100015189416_100000189346 [0,2,0,0,0,0|1,0,0]=3 9243 B14R1.20 Cc1cccc(c1)C(=O)NCCCF 1626a_100015189416_100000189346 [0,2,0,0,0,0|1,0,0]=3 9244 B14R1.20 Cc1cccc(c1)C(=O)NCCCF 240690a_100015189416_100000189346 [0,2,0,0,0,0|1,0,0]=3 9245 B14R1.20 Cc1cccc(c1)C(=O)NCCCF 527a_100015189416_100000189346 [0,2,0,0,0,0|1,0,0]=3 9246 B14R1.20 Cc1cccc(c1)C(=O)NCCCO 240690a_100000182051_100000189346 [0,2,0,0,0,0|1,0,0]=3 9247 B14R1.20 Cc1cccc(c1)C(=O)NCCCO 527a_100000182051_100000189346 [0,2,0,0,0,0|1,0,0]=3 9248 B14R1.20 Cc1cccc(c1)C(=O)NNCCO 22a_100000210001_100000189346 [0,2,0,0,0,0|2,0,0]=4 9249 B14R1.20 Cc1cccc(c1)C(C)OCCCF 34a_100000757818_100011934791 [0,2,0,0,0,0|1,0,1]=4 9250 B14R1.20 Cc1cccc(c1)C(C)OCCCF 7a_100000757818_100011934791 [0,2,0,0,0,0|1,0,1]=4 9251 B14R1.20 Cc1cccc(c1)C(C)OCCCO 34a_100000757818_100000230001 [0,2,0,0,0,0|1,0,1]=4 9252 B14R1.20 Cc1cccc(c1)C(C)OCCCO 7a_100000757818_100011215043 [0,2,0,0,0,0|1,0,1]=4 9253 B14R1.20 N#CCCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000211468 [0,2,0,0,0,0|1,0,1]=4 9254 B14R1.20 N#CCCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000211468 [0,2,0,0,0,0|1,0,1]=4 9255 B14R1.20 N#CCCCC(=O)c1cccc(c1)F 1458a_100000210950_100000211468 [0,2,0,0,0,0|1,0,1]=4 9256 B14R1.20 N#CCCCC(=O)c1cccc(c1)I 1458a_100000184098_100000211468 [0,2,0,0,0,0|1,0,1]=4 9257 B14R1.20 N#CCCCC(=O)c1cccc(c1)O 1458a_100000183914_100000211468 [0,2,0,0,0,0|1,0,1]=4 9258 B14R1.20 N#CCCNC(=O)c1cccc(c1)Br 11a_100000720768_100000210664 [0,2,0,0,0,0|1,0,1]=4 9259 B14R1.20 N#CCCNC(=O)c1cccc(c1)Br 1626a_100000720768_100000210664 [0,2,0,0,0,0|1,0,1]=4 9260 B14R1.20 N#CCCNC(=O)c1cccc(c1)Br 240690a_100000720768_100000210664 [0,2,0,0,0,0|1,0,1]=4 9261 B14R1.20 N#CCCNC(=O)c1cccc(c1)Br 527a_100000720768_100000210664 [0,2,0,0,0,0|1,0,1]=4 9262 B14R1.20 N#CCCNC(=O)c1cccc(c1)Cl 11a_100000720768_100000210390 [0,2,0,0,0,0|1,0,1]=4 9263 B14R1.20 N#CCCNC(=O)c1cccc(c1)Cl 1626a_100000720768_100000210390 [0,2,0,0,0,0|1,0,1]=4 9264 B14R1.20 N#CCCNC(=O)c1cccc(c1)Cl 240690a_100000720768_100000210390 [0,2,0,0,0,0|1,0,1]=4 9265 B14R1.20 N#CCCNC(=O)c1cccc(c1)Cl 527a_100000720768_100000210390 [0,2,0,0,0,0|1,0,1]=4 9266 B14R1.20 N#CCCNC(=O)c1cccc(c1)F 11a_100000720768_100000210950 [0,2,0,0,0,0|1,0,1]=4 9267 B14R1.20 N#CCCNC(=O)c1cccc(c1)F 1626a_100000720768_100000210950 [0,2,0,0,0,0|1,0,1]=4 9268 B14R1.20 N#CCCNC(=O)c1cccc(c1)F 240690a_100000720768_100000210950 [0,2,0,0,0,0|1,0,1]=4 9269 B14R1.20 N#CCCNC(=O)c1cccc(c1)F 527a_100000720768_100000210950 [0,2,0,0,0,0|1,0,1]=4 9270 B14R1.20 N#CCCNC(=O)c1cccc(c1)I 11a_100000720768_100000184098 [0,2,0,0,0,0|1,0,1]=4 9271 B14R1.20 N#CCCNC(=O)c1cccc(c1)I 1626a_100000720768_100000184098 [0,2,0,0,0,0|1,0,1]=4 9272 B14R1.20 N#CCCNC(=O)c1cccc(c1)I 240690a_100000720768_100000184098 [0,2,0,0,0,0|1,0,1]=4 9273 B14R1.20 N#CCCNC(=O)c1cccc(c1)I 527a_100000720768_100000184098 [0,2,0,0,0,0|1,0,1]=4 9274 B14R1.20 N#CCCNC(=O)c1cccc(c1)O 240690a_100000720768_100000183914 [0,2,0,0,0,0|1,0,1]=4 9275 B14R1.20 N#CCCNC(=O)c1cccc(c1)O 527a_100000720768_100000183914 [0,2,0,0,0,0|1,0,1]=4 9276 B14R1.20 N#CCOCC(=O)c1cccc(c1)Cl 7a_200011592804_100011215382 [0,2,0,0,0,0|1,0,1]=4 9277 B14R1.20 N#CCOCC(=O)c1cccc(c1)F 7a_100011592800_100011215382 [0,2,0,0,0,0|1,0,1]=4 9278 B14R1.20 NCCCNC(=O)c1cccc(c1)O 271570a_203496583355_100000748816 [0,2,0,0,0,0|1,0,0]=3 9279 B14R1.20 NCCOCC(=O)c1cccc(c1)Br 34a_100000210304_100000212080 [0,2,0,0,0,0|1,0,0]=3 9280 B14R1.20 NCCOCC(=O)c1cccc(c1)Cl 34a_100000210304_100000211444 [0,2,0,0,0,0|1,0,0]=3 9281 B14R1.20 NCCOCC(=O)c1cccc(c1)F 34a_100000210304_100000215616 [0,2,0,0,0,0|1,0,0]=3 9282 B14R1.20 NCCOCC(=O)c1cccc(c1)O 34a_100000210304_100009813753 [0,2,0,0,0,0|1,0,0]=3 9283 B14R1.20 O=C(CCCCF)c1cccc(c1)Br 1458a_100000210664_100000729493 [0,2,0,0,0,0|1,0,0]=3 9284 B14R1.20 O=C(CCCCF)c1cccc(c1)Cl 1458a_100000210390_100000729493 [0,2,0,0,0,0|1,0,0]=3 9285 B14R1.20 O=C(CCCCF)c1cccc(c1)F 1458a_100000210950_100000729493 [0,2,0,0,0,0|1,0,0]=3 9286 B14R1.20 O=C(CCCCF)c1cccc(c1)I 1458a_100000184098_100000729493 [0,2,0,0,0,0|1,0,0]=3 9287 B14R1.20 O=C(CCCCF)c1cccc(c1)O 1458a_100000183914_100000729493 [0,2,0,0,0,0|1,0,0]=3 9288 B14R1.20 O=C(CCCCO)c1cccc(c1)Br 1458a_100000210664_100000210776 [0,2,0,0,0,0|1,0,0]=3 9289 B14R1.20 O=C(CCCCO)c1cccc(c1)Cl 1458a_100000210390_100000210776 [0,2,0,0,0,0|1,0,0]=3 9290 B14R1.20 O=C(CCCCO)c1cccc(c1)F 1458a_100000210950_100000210776 [0,2,0,0,0,0|1,0,0]=3 9291 B14R1.20 O=C(CCCCO)c1cccc(c1)I 1458a_100000184098_100000210776 [0,2,0,0,0,0|1,0,0]=3 9292 B14R1.20 O=C(CCCCO)c1cccc(c1)O 1458a_100000183914_100000210776 [0,2,0,0,0,0|1,0,0]=3 9293 B14R1.20 O=C(CNCCF)c1cccc(c1)Br 34a_100000724931_100000212080 [0,2,0,0,0,0|2,0,0]=4 9294 B14R1.20 O=C(CNCCF)c1cccc(c1)Cl 34a_100000724931_100000211444 [0,2,0,0,0,0|2,0,0]=4 9295 B14R1.20 O=C(CNCCF)c1cccc(c1)F 34a_100000724931_100000215616 [0,2,0,0,0,0|2,0,0]=4 9296 B14R1.20 O=C(CNCCF)c1cccc(c1)O 34a_100000724931_100009813753 [0,2,0,0,0,0|2,0,0]=4 9297 B14R1.20 O=C(CNCCO)c1cccc(c1)Br 2230a_100016997473_100000212080 [0,2,0,0,0,0|2,0,0]=4 9298 B14R1.20 O=C(CNCCO)c1cccc(c1)Br 34a_100016990907_100000212080 [0,2,0,0,0,0|2,0,0]=4 9299 B14R1.20 O=C(CNCCO)c1cccc(c1)Cl 2230a_100016997473_100000211444 [0,2,0,0,0,0|2,0,0]=4 9300 B14R1.20 O=C(CNCCO)c1cccc(c1)Cl 34a_100016990907_100000211444 [0,2,0,0,0,0|2,0,0]=4 9301 B14R1.20 O=C(CNCCO)c1cccc(c1)F 2230a_100016997473_100000215616 [0,2,0,0,0,0|2,0,0]=4 9302 B14R1.20 O=C(CNCCO)c1cccc(c1)F 34a_100016990907_100000215616 [0,2,0,0,0,0|2,0,0]=4 9303 B14R1.20 O=C(CNCCO)c1cccc(c1)O 34a_100016990907_100009813753 [0,2,0,0,0,0|2,0,0]=4 9304 B14R1.20 O=C(COCCBr)c1cccc(c1)Br 34a_100000211926_100000212080 [0,2,0,0,0,0|1,0,0]=3 9305 B14R1.20 O=C(COCCBr)c1cccc(c1)Cl 34a_100000211926_100000211444 [0,2,0,0,0,0|1,0,0]=3 9306 B14R1.20 O=C(COCCBr)c1cccc(c1)F 34a_100000211926_100000215616 [0,2,0,0,0,0|1,0,0]=3 9307 B14R1.20 O=C(COCCBr)c1cccc(c1)O 34a_100000211926_100009813753 [0,2,0,0,0,0|1,0,0]=3 9308 B14R1.20 O=C(COCCF)c1cccc(c1)Cl 7a_200011592804_100011217306 [0,2,0,0,0,0|1,0,0]=3 9309 B14R1.20 O=C(COCCF)c1cccc(c1)F 34a_100011592800_100011217306 [0,2,0,0,0,0|1,0,0]=3 9310 B14R1.20 O=C(COCCF)c1cccc(c1)F 7a_100011592800_100011217306 [0,2,0,0,0,0|1,0,0]=3 9311 B14R1.20 O=C(COCCO)c1cccc(c1)Cl 7a_200011592804_100000211926 [0,2,0,0,0,0|1,0,0]=3 9312 B14R1.20 O=C(COCCO)c1cccc(c1)F 34a_100011592800_100000211926 [0,2,0,0,0,0|1,0,0]=3 9313 B14R1.20 O=C(COCCO)c1cccc(c1)F 7a_100011592800_100000211926 [0,2,0,0,0,0|1,0,0]=3 9314 B14R1.20 O=C(CSCCF)c1cccc(c1)Br 62a_100000212080_100011217306 [0,2,0,0,0,0|1,1,0]=4 9315 B14R1.20 O=C(CSCCF)c1cccc(c1)Br 62a_100011217306_100000212080 [0,2,0,0,0,0|1,1,0]=4 9316 B14R1.20 O=C(CSCCF)c1cccc(c1)Cl 62a_100000211444_100011217306 [0,2,0,0,0,0|1,1,0]=4 9317 B14R1.20 O=C(CSCCF)c1cccc(c1)Cl 62a_100011217306_100000211444 [0,2,0,0,0,0|1,1,0]=4 9318 B14R1.20 O=C(CSCCF)c1cccc(c1)F 62a_100000215616_100011217306 [0,2,0,0,0,0|1,1,0]=4 9319 B14R1.20 O=C(CSCCF)c1cccc(c1)F 62a_100011217306_100000215616 [0,2,0,0,0,0|1,1,0]=4 9320 B14R1.20 O=C(CSCCF)c1cccc(c1)O 62a_100009813753_100011217306 [0,2,0,0,0,0|1,1,0]=4 9321 B14R1.20 O=C(CSCCF)c1cccc(c1)O 62a_100011217306_100009813753 [0,2,0,0,0,0|1,1,0]=4 9322 B14R1.20 O=C(CSCCO)c1cccc(c1)Br 62a_100000211926_100000212080 [0,2,0,0,0,0|1,1,0]=4 9323 B14R1.20 O=C(CSCCO)c1cccc(c1)Br 62a_100000212080_100000211926 [0,2,0,0,0,0|1,1,0]=4 9324 B14R1.20 O=C(CSCCO)c1cccc(c1)Cl 62a_100000211444_100000211926 [0,2,0,0,0,0|1,1,0]=4 9325 B14R1.20 O=C(CSCCO)c1cccc(c1)Cl 62a_100000211926_100000211444 [0,2,0,0,0,0|1,1,0]=4 9326 B14R1.20 O=C(CSCCO)c1cccc(c1)F 62a_100000211926_100000215616 [0,2,0,0,0,0|1,1,0]=4 9327 B14R1.20 O=C(CSCCO)c1cccc(c1)F 62a_100000215616_100000211926 [0,2,0,0,0,0|1,1,0]=4 9328 B14R1.20 O=C(CSCCO)c1cccc(c1)O 62a_100000211926_100009813753 [0,2,0,0,0,0|1,1,0]=4 9329 B14R1.20 O=C(CSCCO)c1cccc(c1)O 62a_100009813753_100000211926 [0,2,0,0,0,0|1,1,0]=4 9330 B14R1.20 O=C(NCCCF)c1cccc(c1)Br 11a_100015189416_100000210664 [0,2,0,0,0,0|1,0,0]=3 9331 B14R1.20 O=C(NCCCF)c1cccc(c1)Br 1626a_100015189416_100000210664 [0,2,0,0,0,0|1,0,0]=3 9332 B14R1.20 O=C(NCCCF)c1cccc(c1)Br 240690a_100015189416_100000210664 [0,2,0,0,0,0|1,0,0]=3 9333 B14R1.20 O=C(NCCCF)c1cccc(c1)Br 527a_100015189416_100000210664 [0,2,0,0,0,0|1,0,0]=3 9334 B14R1.20 O=C(NCCCF)c1cccc(c1)Cl 11a_100015189416_100000210390 [0,2,0,0,0,0|1,0,0]=3 9335 B14R1.20 O=C(NCCCF)c1cccc(c1)Cl 1626a_100015189416_100000210390 [0,2,0,0,0,0|1,0,0]=3 9336 B14R1.20 O=C(NCCCF)c1cccc(c1)Cl 240690a_100015189416_100000210390 [0,2,0,0,0,0|1,0,0]=3 9337 B14R1.20 O=C(NCCCF)c1cccc(c1)Cl 527a_100015189416_100000210390 [0,2,0,0,0,0|1,0,0]=3 9338 B14R1.20 O=C(NCCCF)c1cccc(c1)F 11a_100015189416_100000210950 [0,2,0,0,0,0|1,0,0]=3 9339 B14R1.20 O=C(NCCCF)c1cccc(c1)F 1626a_100015189416_100000210950 [0,2,0,0,0,0|1,0,0]=3 9340 B14R1.20 O=C(NCCCF)c1cccc(c1)F 240690a_100015189416_100000210950 [0,2,0,0,0,0|1,0,0]=3 9341 B14R1.20 O=C(NCCCF)c1cccc(c1)F 527a_100015189416_100000210950 [0,2,0,0,0,0|1,0,0]=3 9342 B14R1.20 O=C(NCCCF)c1cccc(c1)I 11a_100015189416_100000184098 [0,2,0,0,0,0|1,0,0]=3 9343 B14R1.20 O=C(NCCCF)c1cccc(c1)I 1626a_100015189416_100000184098 [0,2,0,0,0,0|1,0,0]=3 9344 B14R1.20 O=C(NCCCF)c1cccc(c1)I 240690a_100015189416_100000184098 [0,2,0,0,0,0|1,0,0]=3 9345 B14R1.20 O=C(NCCCF)c1cccc(c1)I 527a_100015189416_100000184098 [0,2,0,0,0,0|1,0,0]=3 9346 B14R1.20 O=C(NCCCF)c1cccc(c1)O 240690a_100015189416_100000183914 [0,2,0,0,0,0|1,0,0]=3 9347 B14R1.20 O=C(NCCCF)c1cccc(c1)O 527a_100015189416_100000183914 [0,2,0,0,0,0|1,0,0]=3 9348 B14R1.20 O=C(NCCCO)c1cccc(c1)Br 240690a_100000182051_100000210664 [0,2,0,0,0,0|1,0,0]=3 9349 B14R1.20 O=C(NCCCO)c1cccc(c1)Br 527a_100000182051_100000210664 [0,2,0,0,0,0|1,0,0]=3 9350 B14R1.20 O=C(NCCCO)c1cccc(c1)Cl 240690a_100000182051_100000210390 [0,2,0,0,0,0|1,0,0]=3 9351 B14R1.20 O=C(NCCCO)c1cccc(c1)Cl 527a_100000182051_100000210390 [0,2,0,0,0,0|1,0,0]=3 9352 B14R1.20 O=C(NCCCO)c1cccc(c1)F 240690a_100000182051_100000210950 [0,2,0,0,0,0|1,0,0]=3 9353 B14R1.20 O=C(NCCCO)c1cccc(c1)F 527a_100000182051_100000210950 [0,2,0,0,0,0|1,0,0]=3 9354 B14R1.20 O=C(NCCCO)c1cccc(c1)I 240690a_100000182051_100000184098 [0,2,0,0,0,0|1,0,0]=3 9355 B14R1.20 O=C(NCCCO)c1cccc(c1)I 527a_100000182051_100000184098 [0,2,0,0,0,0|1,0,0]=3 9356 B14R1.20 O=C(NCCCO)c1cccc(c1)O 240690a_100000182051_100000183914 [0,2,0,0,0,0|1,0,0]=3 9357 B14R1.20 O=C(NCCCO)c1cccc(c1)O 527a_100000182051_100000183914 [0,2,0,0,0,0|1,0,0]=3 9358 B14R1.20 O=C(NNCCO)c1cccc(c1)Br 22a_100000210001_100000210664 [0,2,0,0,0,0|2,0,0]=4 9359 B14R1.20 O=C(NNCCO)c1cccc(c1)Cl 22a_100000210001_100000210390 [0,2,0,0,0,0|2,0,0]=4 9360 B14R1.20 O=C(NNCCO)c1cccc(c1)F 22a_100000210001_100000210950 [0,2,0,0,0,0|2,0,0]=4 9361 B14R1.20 O=C(NNCCO)c1cccc(c1)I 22a_100000210001_100000184098 [0,2,0,0,0,0|2,0,0]=4 9362 B14R1.20 O=C(NNCCO)c1cccc(c1)O 22a_100000210001_100000183914 [0,2,0,0,0,0|2,0,0]=4 9363 B14R1.20 O=CCOCC(=O)c1cccc(c1)Cl 7a_200011592804_200015260668 [0,2,0,0,0,0|1,0,1]=4 9364 B14R1.20 O=CCOCC(=O)c1cccc(c1)F 34a_100011592800_200009817547 [0,2,0,0,0,0|1,0,1]=4 9365 B14R1.20 O=CCOCC(=O)c1cccc(c1)F 7a_100011592800_200015260668 [0,2,0,0,0,0|1,0,1]=4 9366 B14R1.20 [13CH3]OCCNC(=O)c1cccc(c1)Br 34a_200000158903_200025704644 [0,2,0,0,0,0|1,0,0]=3 9367 B14R1.20 [13CH3]OCCNC(=O)c1cccc(c1)Br 7a_200000158903_200025704644 [0,2,0,0,0,0|1,0,0]=3 9368 B14R1.22 CCCOC(CC)c1cccc(c1)Cl 34a_100000766619_100000210303 [0,2,0,0,0,0|1,0,1]=4 9369 B14R1.22 CCCOC(CC)c1cccc(c1)Cl 7a_100000766619_100000210303 [0,2,0,0,0,0|1,0,1]=4 9370 B14R1.22 CCCOC(CC)c1cccc(c1)F 34a_100011350881_100000210303 [0,2,0,0,0,0|1,0,1]=4 9371 B14R1.22 CCCOC(CC)c1cccc(c1)F 7a_100011350881_100000210303 [0,2,0,0,0,0|1,0,1]=4 9372 B14R1.22 CCCOC(CC)c1cccc(c1)I 34a_200013212081_100000210303 [0,2,0,0,0,0|1,0,1]=4 9373 B14R1.22 CCCOC(CC)c1cccc(c1)I 7a_200013212081_100000210303 [0,2,0,0,0,0|1,0,1]=4 9374 B14R1.36 CC(CCO)C(=O)c1cccc(c1)Br 1458a_100000210664_100009893172 [0,2,0,0,0,0|2,0,0]=4 9375 B14R1.36 CC(CCO)C(=O)c1cccc(c1)Cl 1458a_100000210390_100009893172 [0,2,0,0,0,0|2,0,0]=4 9376 B14R1.36 CC(CCO)C(=O)c1cccc(c1)F 1458a_100000210950_100009893172 [0,2,0,0,0,0|2,0,0]=4 9377 B14R1.36 CC(CCO)C(=O)c1cccc(c1)I 1458a_100000184098_100009893172 [0,2,0,0,0,0|2,0,0]=4 9378 B14R1.36 CC(CCO)C(=O)c1cccc(c1)O 1458a_100000183914_100009893172 [0,2,0,0,0,0|2,0,0]=4 9379 B14R1.36 CCCC(C)C(=O)c1cccc(c1)Br 1458a_100000210664_100000766640 [0,2,0,0,0,0|1,0,0]=3 9380 B14R1.36 CCCC(C)C(=O)c1cccc(c1)C 1458a_100000189346_100000766640 [0,2,0,0,0,0|1,0,0]=3 9381 B14R1.36 CCCC(C)C(=O)c1cccc(c1)Cl 1458a_100000210390_100000766640 [0,2,0,0,0,0|1,0,0]=3 9382 B14R1.36 CCCC(C)C(=O)c1cccc(c1)F 1458a_100000210950_100000766640 [0,2,0,0,0,0|1,0,0]=3 9383 B14R1.36 CCCC(C)C(=O)c1cccc(c1)I 1458a_100000184098_100000766640 [0,2,0,0,0,0|1,0,0]=3 9384 B14R1.36 CCCC(C)C(=O)c1cccc(c1)O 1458a_100000183914_100000766640 [0,2,0,0,0,0|1,0,0]=3 9385 B14R1.36 CCCN(C)C(=O)c1cccc(c1)Br 11a_100000747261_100000210664 [0,2,0,0,0,0|1,0,0]=3 9386 B14R1.36 CCCN(C)C(=O)c1cccc(c1)Br 1626a_100000747261_100000210664 [0,2,0,0,0,0|1,0,0]=3 9387 B14R1.36 CCCN(C)C(=O)c1cccc(c1)Br 240690a_100000747261_100000210664 [0,2,0,0,0,0|1,0,0]=3 9388 B14R1.36 CCCN(C)C(=O)c1cccc(c1)Br 527a_100000747261_100000210664 [0,2,0,0,0,0|1,0,0]=3 9389 B14R1.36 CCCN(C)C(=O)c1cccc(c1)C 11a_100000747261_100000189346 [0,2,0,0,0,0|1,0,0]=3 9390 B14R1.36 CCCN(C)C(=O)c1cccc(c1)C 1626a_100000747261_100000189346 [0,2,0,0,0,0|1,0,0]=3 9391 B14R1.36 CCCN(C)C(=O)c1cccc(c1)C 240690a_100000747261_100000189346 [0,2,0,0,0,0|1,0,0]=3 9392 B14R1.36 CCCN(C)C(=O)c1cccc(c1)C 527a_100000747261_100000189346 [0,2,0,0,0,0|1,0,0]=3 9393 B14R1.36 CCCN(C)C(=O)c1cccc(c1)Cl 11a_100000747261_100000210390 [0,2,0,0,0,0|1,0,0]=3 9394 B14R1.36 CCCN(C)C(=O)c1cccc(c1)Cl 1626a_100000747261_100000210390 [0,2,0,0,0,0|1,0,0]=3 9395 B14R1.36 CCCN(C)C(=O)c1cccc(c1)Cl 240690a_100000747261_100000210390 [0,2,0,0,0,0|1,0,0]=3 9396 B14R1.36 CCCN(C)C(=O)c1cccc(c1)Cl 527a_100000747261_100000210390 [0,2,0,0,0,0|1,0,0]=3 9397 B14R1.36 CCCN(C)C(=O)c1cccc(c1)F 11a_100000747261_100000210950 [0,2,0,0,0,0|1,0,0]=3 9398 B14R1.36 CCCN(C)C(=O)c1cccc(c1)F 1626a_100000747261_100000210950 [0,2,0,0,0,0|1,0,0]=3 9399 B14R1.36 CCCN(C)C(=O)c1cccc(c1)F 240690a_100000747261_100000210950 [0,2,0,0,0,0|1,0,0]=3 9400 B14R1.36 CCCN(C)C(=O)c1cccc(c1)F 527a_100000747261_100000210950 [0,2,0,0,0,0|1,0,0]=3 9401 B14R1.36 CCCN(C)C(=O)c1cccc(c1)I 11a_100000747261_100000184098 [0,2,0,0,0,0|1,0,0]=3 9402 B14R1.36 CCCN(C)C(=O)c1cccc(c1)I 1626a_100000747261_100000184098 [0,2,0,0,0,0|1,0,0]=3 9403 B14R1.36 CCCN(C)C(=O)c1cccc(c1)I 240690a_100000747261_100000184098 [0,2,0,0,0,0|1,0,0]=3 9404 B14R1.36 CCCN(C)C(=O)c1cccc(c1)I 527a_100000747261_100000184098 [0,2,0,0,0,0|1,0,0]=3 9405 B14R1.36 CCCN(C)C(=O)c1cccc(c1)O 240690a_100000747261_100000183914 [0,2,0,0,0,0|1,0,0]=3 9406 B14R1.36 CCCN(C)C(=O)c1cccc(c1)O 527a_100000747261_100000183914 [0,2,0,0,0,0|1,0,0]=3 9407 B14R1.36 CCNC(C)C(=O)c1cccc(c1)Br 2230a_100015525214_100012349134 [0,2,0,0,0,0|2,0,0]=4 9408 B14R1.36 CCNC(C)C(=O)c1cccc(c1)Cl 2230a_100015525214_100000184413 [0,2,0,0,0,0|2,0,0]=4 9409 B14R1.36 CCNC(C)C(=O)c1cccc(c1)F 2230a_100015525214_100012356231 [0,2,0,0,0,0|2,0,0]=4 9410 B14R1.36 CCOC(C)C(=O)c1cccc(c1)Br 34a_100121572206_100012349134 [0,2,0,0,0,0|2,0,0]=4 9411 B14R1.36 CCOC(C)C(=O)c1cccc(c1)Cl 34a_100121572206_100000184413 [0,2,0,0,0,0|2,0,0]=4 9412 B14R1.36 CCOC(C)C(=O)c1cccc(c1)F 34a_100121572206_100012356231 [0,2,0,0,0,0|2,0,0]=4 9413 B14R1.36 CCSC(C)C(=O)c1cccc(c1)Br 62a_100000210202_100012349134 [0,2,0,0,0,0|2,0,0]=4 9414 B14R1.36 CCSC(C)C(=O)c1cccc(c1)Br 62a_100012349134_100000210202 [0,2,0,0,0,0|2,0,0]=4 9415 B14R1.36 CCSC(C)C(=O)c1cccc(c1)Cl 62a_100000184413_100000210202 [0,2,0,0,0,0|2,0,0]=4 9416 B14R1.36 CCSC(C)C(=O)c1cccc(c1)Cl 62a_100000210202_100000184413 [0,2,0,0,0,0|2,0,0]=4 9417 B14R1.36 CCSC(C)C(=O)c1cccc(c1)F 62a_100000210202_100012356231 [0,2,0,0,0,0|2,0,0]=4 9418 B14R1.36 CCSC(C)C(=O)c1cccc(c1)F 62a_100012356231_100000210202 [0,2,0,0,0,0|2,0,0]=4 9419 B14R1.36 CN(CCO)C(=O)c1cccc(c1)Br 240690a_100000210263_100000210664 [0,2,0,0,0,0|2,0,0]=4 9420 B14R1.36 CN(CCO)C(=O)c1cccc(c1)Br 527a_100000210263_100000210664 [0,2,0,0,0,0|2,0,0]=4 9421 B14R1.36 CN(CCO)C(=O)c1cccc(c1)Cl 240690a_100000210263_100000210390 [0,2,0,0,0,0|2,0,0]=4 9422 B14R1.36 CN(CCO)C(=O)c1cccc(c1)Cl 527a_100000210263_100000210390 [0,2,0,0,0,0|2,0,0]=4 9423 B14R1.36 CN(CCO)C(=O)c1cccc(c1)F 240690a_100000210263_100000210950 [0,2,0,0,0,0|2,0,0]=4 9424 B14R1.36 CN(CCO)C(=O)c1cccc(c1)F 527a_100000210263_100000210950 [0,2,0,0,0,0|2,0,0]=4 9425 B14R1.36 CN(CCO)C(=O)c1cccc(c1)I 240690a_100000210263_100000184098 [0,2,0,0,0,0|2,0,0]=4 9426 B14R1.36 CN(CCO)C(=O)c1cccc(c1)I 527a_100000210263_100000184098 [0,2,0,0,0,0|2,0,0]=4 9427 B14R1.36 CN(CCO)C(=O)c1cccc(c1)O 240690a_100000210263_100000183914 [0,2,0,0,0,0|2,0,0]=4 9428 B14R1.36 CN(CCO)C(=O)c1cccc(c1)O 527a_100000210263_100000183914 [0,2,0,0,0,0|2,0,0]=4 9429 B14R1.36 COCC(C)C(=O)c1cccc(c1)Br 1458a_100000210664_100000765312 [0,2,0,0,0,0|2,0,0]=4 9430 B14R1.36 COCC(C)C(=O)c1cccc(c1)C 1458a_100000189346_100000765312 [0,2,0,0,0,0|2,0,0]=4 9431 B14R1.36 COCC(C)C(=O)c1cccc(c1)Cl 1458a_100000210390_100000765312 [0,2,0,0,0,0|2,0,0]=4 9432 B14R1.36 COCC(C)C(=O)c1cccc(c1)F 1458a_100000210950_100000765312 [0,2,0,0,0,0|2,0,0]=4 9433 B14R1.36 COCC(C)C(=O)c1cccc(c1)I 1458a_100000184098_100000765312 [0,2,0,0,0,0|2,0,0]=4 9434 B14R1.36 COCC(C)C(=O)c1cccc(c1)O 1458a_100000183914_100000765312 [0,2,0,0,0,0|2,0,0]=4 9435 B14R1.36 Cc1cccc(c1)C(=O)C(C)CCO 1458a_100000189346_100009893172 [0,2,0,0,0,0|2,0,0]=4 9436 B14R1.36 Cc1cccc(c1)C(=O)N(C)CCO 240690a_100000210263_100000189346 [0,2,0,0,0,0|2,0,0]=4 9437 B14R1.36 Cc1cccc(c1)C(=O)N(C)CCO 527a_100000210263_100000189346 [0,2,0,0,0,0|2,0,0]=4 9438 B14R1.126 CCCCS(=O)(=O)c1cccc(c1)O 271570a_203496583355_100009816174 [0,2,0,0,0,0|2,0,0]=4 9439 B14R1.126 CCCNS(=O)(=O)c1cccc(c1)Br 270084a_100020643023_100000184224 [0,2,0,0,0,0|2,0,0]=4 9440 B14R1.126 CCCNS(=O)(=O)c1cccc(c1)Br 274078a_100020643023_100000184224 [0,2,0,0,0,0|2,0,0]=4 9441 B14R1.126 CCCNS(=O)(=O)c1cccc(c1)Br 40a_100020643023_100010340488 [0,2,0,0,0,0|2,0,0]=4 9442 B14R1.126 CCCNS(=O)(=O)c1cccc(c1)C 270084a_100020643023_100000182797 [0,2,0,0,0,0|2,0,0]=4 9443 B14R1.126 CCCNS(=O)(=O)c1cccc(c1)C 274078a_100020643023_100000182797 [0,2,0,0,0,0|2,0,0]=4 9444 B14R1.126 CCCNS(=O)(=O)c1cccc(c1)C 40a_100020643023_100010983817 [0,2,0,0,0,0|2,0,0]=4 9445 B14R1.126 CCCNS(=O)(=O)c1cccc(c1)Cl 270084a_100020643023_100000182923 [0,2,0,0,0,0|2,0,0]=4 9446 B14R1.126 CCCNS(=O)(=O)c1cccc(c1)Cl 274078a_100020643023_100000182923 [0,2,0,0,0,0|2,0,0]=4 9447 B14R1.126 CCCNS(=O)(=O)c1cccc(c1)F 270084a_100020643023_100000184201 [0,2,0,0,0,0|2,0,0]=4 9448 B14R1.126 CCCNS(=O)(=O)c1cccc(c1)F 274078a_100020643023_100000184201 [0,2,0,0,0,0|2,0,0]=4 9449 B14R1.126 CCCNS(=O)(=O)c1cccc(c1)N 40a_100020643023_100000034547 [0,2,0,0,0,0|2,0,0]=4 9450 B14R1.126 CCCOC(C)(C)c1cccc(c1)Br 34a_100011346009_100000210303 [0,2,0,0,0,0|1,0,1]=4 9451 B14R1.126 CCCOC(C)(C)c1cccc(c1)Br 7a_100011346009_100000210303 [0,2,0,0,0,0|1,0,1]=4 9452 B14R1.126 CCCOC(C)(C)c1cccc(c1)Cl 34a_100011345980_100000210303 [0,2,0,0,0,0|1,0,1]=4 9453 B14R1.126 CCCOC(C)(C)c1cccc(c1)Cl 7a_100011345980_100000210303 [0,2,0,0,0,0|1,0,1]=4 9454 B14R1.126 CCCOC(C)(C)c1cccc(c1)F 34a_200011345953_100000210303 [0,2,0,0,0,0|1,0,1]=4 9455 B14R1.126 CCCOC(C)(C)c1cccc(c1)F 7a_200011345953_100000210303 [0,2,0,0,0,0|1,0,1]=4 9456 B14R1.149 C=C(C)CCC(=O)c1cccc(c1)Br 1458a_100000210664_100000730704 [0,2,0,0,0,0|1,0,1]=4 9457 B14R1.149 C=C(C)CCC(=O)c1cccc(c1)C 1458a_100000189346_100000730704 [0,2,0,0,0,0|1,0,1]=4 9458 B14R1.149 C=C(C)CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000730704 [0,2,0,0,0,0|1,0,1]=4 9459 B14R1.149 C=C(C)CCC(=O)c1cccc(c1)F 1458a_100000210950_100000730704 [0,2,0,0,0,0|1,0,1]=4 9460 B14R1.149 C=C(C)CCC(=O)c1cccc(c1)I 1458a_100000184098_100000730704 [0,2,0,0,0,0|1,0,1]=4 9461 B14R1.149 C=C(C)CCC(=O)c1cccc(c1)O 1458a_100000183914_100000730704 [0,2,0,0,0,0|1,0,1]=4 9462 B14R1.149 C=C(C)CNC(=O)c1cccc(c1)Br 11a_100000765925_100000210664 [0,2,0,0,0,0|1,0,1]=4 9463 B14R1.149 C=C(C)CNC(=O)c1cccc(c1)Br 1626a_100000765925_100000210664 [0,2,0,0,0,0|1,0,1]=4 9464 B14R1.149 C=C(C)CNC(=O)c1cccc(c1)Br 240690a_100000765925_100000210664 [0,2,0,0,0,0|1,0,1]=4 9465 B14R1.149 C=C(C)CNC(=O)c1cccc(c1)Br 527a_100000765925_100000210664 [0,2,0,0,0,0|1,0,1]=4 9466 B14R1.149 C=C(C)CNC(=O)c1cccc(c1)C 11a_100000765925_100000189346 [0,2,0,0,0,0|1,0,1]=4 9467 B14R1.149 C=C(C)CNC(=O)c1cccc(c1)C 1626a_100000765925_100000189346 [0,2,0,0,0,0|1,0,1]=4 9468 B14R1.149 C=C(C)CNC(=O)c1cccc(c1)C 240690a_100000765925_100000189346 [0,2,0,0,0,0|1,0,1]=4 9469 B14R1.149 C=C(C)CNC(=O)c1cccc(c1)C 527a_100000765925_100000189346 [0,2,0,0,0,0|1,0,1]=4 9470 B14R1.149 C=C(C)CNC(=O)c1cccc(c1)Cl 11a_100000765925_100000210390 [0,2,0,0,0,0|1,0,1]=4 9471 B14R1.149 C=C(C)CNC(=O)c1cccc(c1)Cl 1626a_100000765925_100000210390 [0,2,0,0,0,0|1,0,1]=4 9472 B14R1.149 C=C(C)CNC(=O)c1cccc(c1)Cl 240690a_100000765925_100000210390 [0,2,0,0,0,0|1,0,1]=4 9473 B14R1.149 C=C(C)CNC(=O)c1cccc(c1)Cl 527a_100000765925_100000210390 [0,2,0,0,0,0|1,0,1]=4 9474 B14R1.149 C=C(C)CNC(=O)c1cccc(c1)F 11a_100000765925_100000210950 [0,2,0,0,0,0|1,0,1]=4 9475 B14R1.149 C=C(C)CNC(=O)c1cccc(c1)F 1626a_100000765925_100000210950 [0,2,0,0,0,0|1,0,1]=4 9476 B14R1.149 C=C(C)CNC(=O)c1cccc(c1)F 240690a_100000765925_100000210950 [0,2,0,0,0,0|1,0,1]=4 9477 B14R1.149 C=C(C)CNC(=O)c1cccc(c1)F 527a_100000765925_100000210950 [0,2,0,0,0,0|1,0,1]=4 9478 B14R1.149 C=C(C)CNC(=O)c1cccc(c1)I 11a_100000765925_100000184098 [0,2,0,0,0,0|1,0,1]=4 9479 B14R1.149 C=C(C)CNC(=O)c1cccc(c1)I 1626a_100000765925_100000184098 [0,2,0,0,0,0|1,0,1]=4 9480 B14R1.149 C=C(C)CNC(=O)c1cccc(c1)I 240690a_100000765925_100000184098 [0,2,0,0,0,0|1,0,1]=4 9481 B14R1.149 C=C(C)CNC(=O)c1cccc(c1)I 527a_100000765925_100000184098 [0,2,0,0,0,0|1,0,1]=4 9482 B14R1.149 C=C(C)CNC(=O)c1cccc(c1)O 240690a_100000765925_100000183914 [0,2,0,0,0,0|1,0,1]=4 9483 B14R1.149 C=C(C)CNC(=O)c1cccc(c1)O 527a_100000765925_100000183914 [0,2,0,0,0,0|1,0,1]=4 9484 B14R1.149 CC(=O)CNC(=O)c1cccc(c1)Br 1458a_100000179737_200000210301 [0,2,0,0,0,0|1,0,1]=4 9485 B14R1.149 CC(=O)CNC(=O)c1cccc(c1)C 1458a_100000182573_200000210301 [0,2,0,0,0,0|1,0,1]=4 9486 B14R1.149 CC(=O)CNC(=O)c1cccc(c1)Cl 1458a_100000182572_200000210301 [0,2,0,0,0,0|1,0,1]=4 9487 B14R1.149 CC(=O)CNC(=O)c1cccc(c1)F 1458a_100000183068_200000210301 [0,2,0,0,0,0|1,0,1]=4 9488 B14R1.149 CC(C)CCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210312 [0,2,0,0,0,0|1,0,0]=3 9489 B14R1.149 CC(C)CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210312 [0,2,0,0,0,0|1,0,0]=3 9490 B14R1.149 CC(C)CCC(=O)c1cccc(c1)F 1458a_100000210950_100000210312 [0,2,0,0,0,0|1,0,0]=3 9491 B14R1.149 CC(C)CCC(=O)c1cccc(c1)I 1458a_100000184098_100000210312 [0,2,0,0,0,0|1,0,0]=3 9492 B14R1.149 CC(C)CCC(=O)c1cccc(c1)O 1458a_100000183914_100000210312 [0,2,0,0,0,0|1,0,0]=3 9493 B14R1.149 CC(C)CNC(=O)c1cccc(c1)Br 11a_100000210953_100000210664 [0,2,0,0,0,0|1,0,0]=3 9494 B14R1.149 CC(C)CNC(=O)c1cccc(c1)Br 1626a_100000210953_100000210664 [0,2,0,0,0,0|1,0,0]=3 9495 B14R1.149 CC(C)CNC(=O)c1cccc(c1)Br 240690a_100000210953_100000210664 [0,2,0,0,0,0|1,0,0]=3 9496 B14R1.149 CC(C)CNC(=O)c1cccc(c1)Br 527a_100000210953_100000210664 [0,2,0,0,0,0|1,0,0]=3 9497 B14R1.149 CC(C)CNC(=O)c1cccc(c1)Cl 11a_100000210953_100000210390 [0,2,0,0,0,0|1,0,0]=3 9498 B14R1.149 CC(C)CNC(=O)c1cccc(c1)Cl 1626a_100000210953_100000210390 [0,2,0,0,0,0|1,0,0]=3 9499 B14R1.149 CC(C)CNC(=O)c1cccc(c1)Cl 240690a_100000210953_100000210390 [0,2,0,0,0,0|1,0,0]=3 9500 B14R1.149 CC(C)CNC(=O)c1cccc(c1)Cl 527a_100000210953_100000210390 [0,2,0,0,0,0|1,0,0]=3 9501 B14R1.149 CC(C)CNC(=O)c1cccc(c1)F 11a_100000210953_100000210950 [0,2,0,0,0,0|1,0,0]=3 9502 B14R1.149 CC(C)CNC(=O)c1cccc(c1)F 1626a_100000210953_100000210950 [0,2,0,0,0,0|1,0,0]=3 9503 B14R1.149 CC(C)CNC(=O)c1cccc(c1)F 240690a_100000210953_100000210950 [0,2,0,0,0,0|1,0,0]=3 9504 B14R1.149 CC(C)CNC(=O)c1cccc(c1)F 527a_100000210953_100000210950 [0,2,0,0,0,0|1,0,0]=3 9505 B14R1.149 CC(C)CNC(=O)c1cccc(c1)I 11a_100000210953_100000184098 [0,2,0,0,0,0|1,0,0]=3 9506 B14R1.149 CC(C)CNC(=O)c1cccc(c1)I 1626a_100000210953_100000184098 [0,2,0,0,0,0|1,0,0]=3 9507 B14R1.149 CC(C)CNC(=O)c1cccc(c1)I 240690a_100000210953_100000184098 [0,2,0,0,0,0|1,0,0]=3 9508 B14R1.149 CC(C)CNC(=O)c1cccc(c1)I 527a_100000210953_100000184098 [0,2,0,0,0,0|1,0,0]=3 9509 B14R1.149 CC(C)CNC(=O)c1cccc(c1)O 240690a_100000210953_100000183914 [0,2,0,0,0,0|1,0,0]=3 9510 B14R1.149 CC(C)CNC(=O)c1cccc(c1)O 527a_100000210953_100000183914 [0,2,0,0,0,0|1,0,0]=3 9511 B14R1.149 CC(C)COC(C)c1cccc(c1)Br 34a_100000246457_100000210624 [0,2,0,0,0,0|1,0,1]=4 9512 B14R1.149 CC(C)COC(C)c1cccc(c1)Br 7a_100000246457_100000210760 [0,2,0,0,0,0|1,0,1]=4 9513 B14R1.149 CC(C)COC(C)c1cccc(c1)F 34a_100000744526_100000210624 [0,2,0,0,0,0|1,0,1]=4 9514 B14R1.149 CC(C)COC(C)c1cccc(c1)F 7a_100000744526_100000210760 [0,2,0,0,0,0|1,0,1]=4 9515 B14R1.149 CC(C)COC(C)c1cccc(c1)I 34a_100013085317_100000210624 [0,2,0,0,0,0|1,0,1]=4 9516 B14R1.149 CC(C)COC(C)c1cccc(c1)I 7a_100013085317_100000210760 [0,2,0,0,0,0|1,0,1]=4 9517 B14R1.149 CC(C)COC(C)c1cccc(c1)N 34a_100011217120_100000210624 [0,2,0,0,0,0|1,0,1]=4 9518 B14R1.149 CC(C)COC(C)c1cccc(c1)N 7a_100011217120_100000210760 [0,2,0,0,0,0|1,0,1]=4 9519 B14R1.149 CC(C)CO[C@H](C)c1cccc(c1)Cl 34a_100000747380_100000210624 [0,2,0,0,0,0|1,0,1]=4 9520 B14R1.149 CC(C)CO[C@H](C)c1cccc(c1)Cl 7a_100000747380_100000210760 [0,2,0,0,0,0|1,0,1]=4 9521 B14R1.149 CC(C)NCC(=O)c1cccc(c1)Br 2230a_100138425928_100000212080 [0,2,0,0,0,0|2,0,0]=4 9522 B14R1.149 CC(C)NCC(=O)c1cccc(c1)Br 34a_100138425928_100000212080 [0,2,0,0,0,0|2,0,0]=4 9523 B14R1.149 CC(C)NCC(=O)c1cccc(c1)Cl 2230a_100138425928_100000211444 [0,2,0,0,0,0|2,0,0]=4 9524 B14R1.149 CC(C)NCC(=O)c1cccc(c1)Cl 34a_100138425928_100000211444 [0,2,0,0,0,0|2,0,0]=4 9525 B14R1.149 CC(C)NCC(=O)c1cccc(c1)F 2230a_100138425928_100000215616 [0,2,0,0,0,0|2,0,0]=4 9526 B14R1.149 CC(C)NCC(=O)c1cccc(c1)F 34a_100138425928_100000215616 [0,2,0,0,0,0|2,0,0]=4 9527 B14R1.149 CC(C)NCC(=O)c1cccc(c1)O 34a_100138425928_100009813753 [0,2,0,0,0,0|2,0,0]=4 9528 B14R1.149 CC(C)NNC(=O)c1cccc(c1)Br 22a_100000741168_100000210664 [0,2,0,0,0,0|2,0,0]=4 9529 B14R1.149 CC(C)NNC(=O)c1cccc(c1)Cl 22a_100000741168_100000210390 [0,2,0,0,0,0|2,0,0]=4 9530 B14R1.149 CC(C)NNC(=O)c1cccc(c1)F 22a_100000741168_100000210950 [0,2,0,0,0,0|2,0,0]=4 9531 B14R1.149 CC(C)NNC(=O)c1cccc(c1)I 22a_100000741168_100000184098 [0,2,0,0,0,0|2,0,0]=4 9532 B14R1.149 CC(C)NNC(=O)c1cccc(c1)O 22a_100000741168_100000183914 [0,2,0,0,0,0|2,0,0]=4 9533 B14R1.149 CC(C)OCC(=O)c1cccc(c1)Br 34a_100000212225_100000212080 [0,2,0,0,0,0|2,0,0]=4 9534 B14R1.149 CC(C)OCC(=O)c1cccc(c1)Cl 34a_100000212225_100000211444 [0,2,0,0,0,0|2,0,0]=4 9535 B14R1.149 CC(C)OCC(=O)c1cccc(c1)Cl 7a_200011592804_100000210206 [0,2,0,0,0,0|2,0,0]=4 9536 B14R1.149 CC(C)OCC(=O)c1cccc(c1)F 34a_100000212225_100000215616 [0,2,0,0,0,0|2,0,0]=4 9537 B14R1.149 CC(C)OCC(=O)c1cccc(c1)F 34a_100011592800_100000210206 [0,2,0,0,0,0|2,0,0]=4 9538 B14R1.149 CC(C)OCC(=O)c1cccc(c1)F 7a_100011592800_100000210206 [0,2,0,0,0,0|2,0,0]=4 9539 B14R1.149 CC(C)OCC(=O)c1cccc(c1)O 34a_100000212225_100009813753 [0,2,0,0,0,0|2,0,0]=4 9540 B14R1.149 CC(C)SCC(=O)c1cccc(c1)Br 62a_100000210206_100000212080 [0,2,0,0,0,0|2,0,0]=4 9541 B14R1.149 CC(C)SCC(=O)c1cccc(c1)Br 62a_100000212080_100000210206 [0,2,0,0,0,0|2,0,0]=4 9542 B14R1.149 CC(C)SCC(=O)c1cccc(c1)Cl 62a_100000210206_100000211444 [0,2,0,0,0,0|2,0,0]=4 9543 B14R1.149 CC(C)SCC(=O)c1cccc(c1)Cl 62a_100000211444_100000210206 [0,2,0,0,0,0|2,0,0]=4 9544 B14R1.149 CC(C)SCC(=O)c1cccc(c1)F 62a_100000210206_100000215616 [0,2,0,0,0,0|2,0,0]=4 9545 B14R1.149 CC(C)SCC(=O)c1cccc(c1)F 62a_100000215616_100000210206 [0,2,0,0,0,0|2,0,0]=4 9546 B14R1.149 CC(C)SCC(=O)c1cccc(c1)O 62a_100000210206_100009813753 [0,2,0,0,0,0|2,0,0]=4 9547 B14R1.149 CC(C)SCC(=O)c1cccc(c1)O 62a_100009813753_100000210206 [0,2,0,0,0,0|2,0,0]=4 9548 B14R1.149 CC(O)CCC(=O)c1cccc(c1)Br 1458a_100000210664_100012276601 [0,2,0,0,0,0|1,0,0]=3 9549 B14R1.149 CC(O)CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100012276601 [0,2,0,0,0,0|1,0,0]=3 9550 B14R1.149 CC(O)CCC(=O)c1cccc(c1)F 1458a_100000210950_100012276601 [0,2,0,0,0,0|1,0,0]=3 9551 B14R1.149 CC(O)CCC(=O)c1cccc(c1)I 1458a_100000184098_100012276601 [0,2,0,0,0,0|1,0,0]=3 9552 B14R1.149 CC(O)CCC(=O)c1cccc(c1)O 1458a_100000183914_100012276601 [0,2,0,0,0,0|1,0,0]=3 9553 B14R1.149 CC(O)CNC(=O)c1cccc(c1)Br 11a_100000210904_100000210664 [0,2,0,0,0,0|1,0,0]=3 9554 B14R1.149 CC(O)CNC(=O)c1cccc(c1)Br 240690a_100000210904_100000210664 [0,2,0,0,0,0|1,0,0]=3 9555 B14R1.149 CC(O)CNC(=O)c1cccc(c1)Br 527a_100000210904_100000210664 [0,2,0,0,0,0|1,0,0]=3 9556 B14R1.149 CC(O)CNC(=O)c1cccc(c1)Cl 11a_100000210904_100000210390 [0,2,0,0,0,0|1,0,0]=3 9557 B14R1.149 CC(O)CNC(=O)c1cccc(c1)Cl 240690a_100000210904_100000210390 [0,2,0,0,0,0|1,0,0]=3 9558 B14R1.149 CC(O)CNC(=O)c1cccc(c1)Cl 527a_100000210904_100000210390 [0,2,0,0,0,0|1,0,0]=3 9559 B14R1.149 CC(O)CNC(=O)c1cccc(c1)F 11a_100000210904_100000210950 [0,2,0,0,0,0|1,0,0]=3 9560 B14R1.149 CC(O)CNC(=O)c1cccc(c1)F 240690a_100000210904_100000210950 [0,2,0,0,0,0|1,0,0]=3 9561 B14R1.149 CC(O)CNC(=O)c1cccc(c1)F 527a_100000210904_100000210950 [0,2,0,0,0,0|1,0,0]=3 9562 B14R1.149 CC(O)CNC(=O)c1cccc(c1)I 11a_100000210904_100000184098 [0,2,0,0,0,0|1,0,0]=3 9563 B14R1.149 CC(O)CNC(=O)c1cccc(c1)I 240690a_100000210904_100000184098 [0,2,0,0,0,0|1,0,0]=3 9564 B14R1.149 CC(O)CNC(=O)c1cccc(c1)I 527a_100000210904_100000184098 [0,2,0,0,0,0|1,0,0]=3 9565 B14R1.149 CC(O)CNC(=O)c1cccc(c1)O 240690a_100000210904_100000183914 [0,2,0,0,0,0|1,0,0]=3 9566 B14R1.149 CC(O)CNC(=O)c1cccc(c1)O 527a_100000210904_100000183914 [0,2,0,0,0,0|1,0,0]=3 9567 B14R1.149 CC(O)COC(C)c1cccc(c1)Br 34a_100000246457_100011218427 [0,2,0,0,0,0|1,0,1]=4 9568 B14R1.149 CC(O)COC(C)c1cccc(c1)Br 7a_100000246457_100011218427 [0,2,0,0,0,0|1,0,1]=4 9569 B14R1.149 CC(O)COC(C)c1cccc(c1)F 34a_100000744526_100011218427 [0,2,0,0,0,0|1,0,1]=4 9570 B14R1.149 CC(O)COC(C)c1cccc(c1)F 7a_100000744526_100011218427 [0,2,0,0,0,0|1,0,1]=4 9571 B14R1.149 CC(O)COC(C)c1cccc(c1)I 34a_100013085317_100011218427 [0,2,0,0,0,0|1,0,1]=4 9572 B14R1.149 CC(O)COC(C)c1cccc(c1)I 7a_100013085317_100011218427 [0,2,0,0,0,0|1,0,1]=4 9573 B14R1.149 CC(O)COC(C)c1cccc(c1)N 34a_100011217120_100011218427 [0,2,0,0,0,0|1,0,1]=4 9574 B14R1.149 CC(O)COC(C)c1cccc(c1)N 7a_100011217120_100011218427 [0,2,0,0,0,0|1,0,1]=4 9575 B14R1.149 CC(O)CO[C@H](C)c1cccc(c1)Cl 34a_100000747380_100011218427 [0,2,0,0,0,0|1,0,1]=4 9576 B14R1.149 CC(O)CO[C@H](C)c1cccc(c1)Cl 7a_100000747380_100011218427 [0,2,0,0,0,0|1,0,1]=4 9577 B14R1.149 CC(OC[C@@H](C)O)c1cccc(c1)Br 34a_100000246457_100009817552 [0,2,0,0,0,0|1,0,1]=4 9578 B14R1.149 CC(OC[C@@H](C)O)c1cccc(c1)Br 7a_100000246457_100009817552 [0,2,0,0,0,0|1,0,1]=4 9579 B14R1.149 CC(OC[C@@H](C)O)c1cccc(c1)F 34a_100000744526_100009817552 [0,2,0,0,0,0|1,0,1]=4 9580 B14R1.149 CC(OC[C@@H](C)O)c1cccc(c1)F 7a_100000744526_100009817552 [0,2,0,0,0,0|1,0,1]=4 9581 B14R1.149 CC(OC[C@@H](C)O)c1cccc(c1)I 34a_100013085317_100009817552 [0,2,0,0,0,0|1,0,1]=4 9582 B14R1.149 CC(OC[C@@H](C)O)c1cccc(c1)I 7a_100013085317_100009817552 [0,2,0,0,0,0|1,0,1]=4 9583 B14R1.149 CC(OC[C@@H](C)O)c1cccc(c1)N 34a_100011217120_100009817552 [0,2,0,0,0,0|1,0,1]=4 9584 B14R1.149 CC(OC[C@@H](C)O)c1cccc(c1)N 7a_100011217120_100009817552 [0,2,0,0,0,0|1,0,1]=4 9585 B14R1.149 C[C@@H](O)CO[C@H](C)c1cccc(c1)Cl 34a_100000747380_100009817552 [0,2,0,0,0,0|1,0,1]=4 9586 B14R1.149 C[C@@H](O)CO[C@H](C)c1cccc(c1)Cl 7a_100000747380_100009817552 [0,2,0,0,0,0|1,0,1]=4 9587 B14R1.149 Cc1cccc(c1)C(=O)CCC(C)C 1458a_100000189346_100000210312 [0,2,0,0,0,0|1,0,0]=3 9588 B14R1.149 Cc1cccc(c1)C(=O)CCC(C)O 1458a_100000189346_100012276601 [0,2,0,0,0,0|1,0,0]=3 9589 B14R1.149 Cc1cccc(c1)C(=O)CNC(C)C 2230a_100138425928_100000739480 [0,2,0,0,0,0|2,0,0]=4 9590 B14R1.149 Cc1cccc(c1)C(=O)CNC(C)C 34a_100138425928_100000739480 [0,2,0,0,0,0|2,0,0]=4 9591 B14R1.149 Cc1cccc(c1)C(=O)COC(C)C 34a_100000212225_100000739480 [0,2,0,0,0,0|2,0,0]=4 9592 B14R1.149 Cc1cccc(c1)C(=O)CSC(C)C 62a_100000210206_100000739480 [0,2,0,0,0,0|2,0,0]=4 9593 B14R1.149 Cc1cccc(c1)C(=O)CSC(C)C 62a_100000739480_100000210206 [0,2,0,0,0,0|2,0,0]=4 9594 B14R1.149 Cc1cccc(c1)C(=O)NCC(=O)[13CH3] 1458a_100000182573_200025704644 [0,2,0,0,0,0|1,0,1]=4 9595 B14R1.149 Cc1cccc(c1)C(=O)NCC(C)C 11a_100000210953_100000189346 [0,2,0,0,0,0|1,0,0]=3 9596 B14R1.149 Cc1cccc(c1)C(=O)NCC(C)C 1626a_100000210953_100000189346 [0,2,0,0,0,0|1,0,0]=3 9597 B14R1.149 Cc1cccc(c1)C(=O)NCC(C)C 240690a_100000210953_100000189346 [0,2,0,0,0,0|1,0,0]=3 9598 B14R1.149 Cc1cccc(c1)C(=O)NCC(C)C 527a_100000210953_100000189346 [0,2,0,0,0,0|1,0,0]=3 9599 B14R1.149 Cc1cccc(c1)C(=O)NCC(C)O 11a_100000210904_100000189346 [0,2,0,0,0,0|1,0,0]=3 9600 B14R1.149 Cc1cccc(c1)C(=O)NCC(C)O 240690a_100000210904_100000189346 [0,2,0,0,0,0|1,0,0]=3 9601 B14R1.149 Cc1cccc(c1)C(=O)NCC(C)O 527a_100000210904_100000189346 [0,2,0,0,0,0|1,0,0]=3 9602 B14R1.149 Cc1cccc(c1)C(=O)NCC(F)F 11a_100000765723_100000189346 [0,2,0,0,0,0|2,0,0]=4 9603 B14R1.149 Cc1cccc(c1)C(=O)NCC(F)F 1626a_100000765723_100000189346 [0,2,0,0,0,0|2,0,0]=4 9604 B14R1.149 Cc1cccc(c1)C(=O)NCC(F)F 240690a_100000765723_100000189346 [0,2,0,0,0,0|2,0,0]=4 9605 B14R1.149 Cc1cccc(c1)C(=O)NCC(F)F 527a_100000765723_100000189346 [0,2,0,0,0,0|2,0,0]=4 9606 B14R1.149 Cc1cccc(c1)C(=O)NNC(C)C 22a_100000741168_100000189346 [0,2,0,0,0,0|2,0,0]=4 9607 B14R1.149 Cc1cccc(c1)C(C)OCC(C)C 34a_100000757818_100000210624 [0,2,0,0,0,0|1,0,1]=4 9608 B14R1.149 Cc1cccc(c1)C(C)OCC(C)C 7a_100000757818_100000210760 [0,2,0,0,0,0|1,0,1]=4 9609 B14R1.149 Cc1cccc(c1)C(C)OCC(C)O 34a_100000757818_100011218427 [0,2,0,0,0,0|1,0,1]=4 9610 B14R1.149 Cc1cccc(c1)C(C)OCC(C)O 7a_100000757818_100011218427 [0,2,0,0,0,0|1,0,1]=4 9611 B14R1.149 Cc1cccc(c1)C(C)OC[C@@H](C)O 34a_100000757818_100009817552 [0,2,0,0,0,0|1,0,1]=4 9612 B14R1.149 Cc1cccc(c1)C(C)OC[C@@H](C)O 7a_100000757818_100009817552 [0,2,0,0,0,0|1,0,1]=4 9613 B14R1.149 O=C(NCC(F)F)c1cccc(c1)Br 11a_100000765723_100000210664 [0,2,0,0,0,0|2,0,0]=4 9614 B14R1.149 O=C(NCC(F)F)c1cccc(c1)Br 1626a_100000765723_100000210664 [0,2,0,0,0,0|2,0,0]=4 9615 B14R1.149 O=C(NCC(F)F)c1cccc(c1)Br 240690a_100000765723_100000210664 [0,2,0,0,0,0|2,0,0]=4 9616 B14R1.149 O=C(NCC(F)F)c1cccc(c1)Br 527a_100000765723_100000210664 [0,2,0,0,0,0|2,0,0]=4 9617 B14R1.149 O=C(NCC(F)F)c1cccc(c1)Cl 11a_100000765723_100000210390 [0,2,0,0,0,0|2,0,0]=4 9618 B14R1.149 O=C(NCC(F)F)c1cccc(c1)Cl 1626a_100000765723_100000210390 [0,2,0,0,0,0|2,0,0]=4 9619 B14R1.149 O=C(NCC(F)F)c1cccc(c1)Cl 240690a_100000765723_100000210390 [0,2,0,0,0,0|2,0,0]=4 9620 B14R1.149 O=C(NCC(F)F)c1cccc(c1)Cl 527a_100000765723_100000210390 [0,2,0,0,0,0|2,0,0]=4 9621 B14R1.149 O=C(NCC(F)F)c1cccc(c1)F 11a_100000765723_100000210950 [0,2,0,0,0,0|2,0,0]=4 9622 B14R1.149 O=C(NCC(F)F)c1cccc(c1)F 1626a_100000765723_100000210950 [0,2,0,0,0,0|2,0,0]=4 9623 B14R1.149 O=C(NCC(F)F)c1cccc(c1)F 240690a_100000765723_100000210950 [0,2,0,0,0,0|2,0,0]=4 9624 B14R1.149 O=C(NCC(F)F)c1cccc(c1)F 527a_100000765723_100000210950 [0,2,0,0,0,0|2,0,0]=4 9625 B14R1.149 O=C(NCC(F)F)c1cccc(c1)I 11a_100000765723_100000184098 [0,2,0,0,0,0|2,0,0]=4 9626 B14R1.149 O=C(NCC(F)F)c1cccc(c1)I 1626a_100000765723_100000184098 [0,2,0,0,0,0|2,0,0]=4 9627 B14R1.149 O=C(NCC(F)F)c1cccc(c1)I 240690a_100000765723_100000184098 [0,2,0,0,0,0|2,0,0]=4 9628 B14R1.149 O=C(NCC(F)F)c1cccc(c1)I 527a_100000765723_100000184098 [0,2,0,0,0,0|2,0,0]=4 9629 B14R1.149 O=C(NCC(F)F)c1cccc(c1)O 240690a_100000765723_100000183914 [0,2,0,0,0,0|2,0,0]=4 9630 B14R1.149 O=C(NCC(F)F)c1cccc(c1)O 527a_100000765723_100000183914 [0,2,0,0,0,0|2,0,0]=4 9631 B14R1.149 [13CH3]C(=O)CNC(=O)c1cccc(c1)Br 1458a_100000179737_200025704644 [0,2,0,0,0,0|1,0,1]=4 9632 B14R1.149 [13CH3]C(=O)CNC(=O)c1cccc(c1)Cl 1458a_100000182572_200025704644 [0,2,0,0,0,0|1,0,1]=4 9633 B14R1.149 [13CH3]C(=O)CNC(=O)c1cccc(c1)F 1458a_100000183068_200025704644 [0,2,0,0,0,0|1,0,1]=4 9634 B14R1.918 CCCCC(=O)c1cc(ccc1Br)Br 1458a_100000690610_100000210211 [0,2,0,0,0,0|1,0,0]=3 9635 B14R1.918 CCCCC(=O)c1cc(ccc1Br)C 1458a_100000689033_100000210211 [0,2,0,0,0,0|1,0,0]=3 9636 B14R1.918 CCCCC(=O)c1cc(ccc1Br)Cl 1458a_100000736951_100000210211 [0,2,0,0,0,0|1,0,0]=3 9637 B14R1.918 CCCCC(=O)c1cc(ccc1Br)F 1458a_100000212315_100000210211 [0,2,0,0,0,0|1,0,0]=3 9638 B14R1.918 CCCCC(=O)c1cc(ccc1Br)I 1458a_100000698340_100000210211 [0,2,0,0,0,0|1,0,0]=3 9639 B14R1.918 CCCCC(=O)c1cc(ccc1Br)O 1458a_100012352043_100000210211 [0,2,0,0,0,0|1,0,0]=3 9640 B14R1.918 CCCCC(=O)c1cc(ccc1C)Br 1458a_100000759961_100000210211 [0,2,0,0,0,0|1,0,0]=3 9641 B14R1.918 CCCCC(=O)c1cc(ccc1C)C 1458a_100000195421_100000210211 [0,2,0,0,0,0|1,0,0]=3 9642 B14R1.918 CCCCC(=O)c1cc(ccc1C)Cl 1458a_100000692595_100000210211 [0,2,0,0,0,0|1,0,0]=3 9643 B14R1.918 CCCCC(=O)c1cc(ccc1C)F 1458a_100000240043_100000210211 [0,2,0,0,0,0|1,0,0]=3 9644 B14R1.918 CCCCC(=O)c1cc(ccc1C)I 1458a_100000688012_100000210211 [0,2,0,0,0,0|1,0,0]=3 9645 B14R1.918 CCCCC(=O)c1cc(ccc1C)O 1458a_100000687834_100000210211 [0,2,0,0,0,0|1,0,0]=3 9646 B14R1.918 CCCCC(=O)c1cc(ccc1Cl)Br 1458a_100000211212_100000210211 [0,2,0,0,0,0|1,0,0]=3 9647 B14R1.918 CCCCC(=O)c1cc(ccc1Cl)C 1458a_100011290873_100000210211 [0,2,0,0,0,0|1,0,0]=3 9648 B14R1.918 CCCCC(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_100000210211 [0,2,0,0,0,0|1,0,0]=3 9649 B14R1.918 CCCCC(=O)c1cc(ccc1Cl)F 1458a_100011219680_100000210211 [0,2,0,0,0,0|1,0,0]=3 9650 B14R1.918 CCCCC(=O)c1cc(ccc1Cl)I 1458a_100000688013_100000210211 [0,2,0,0,0,0|1,0,0]=3 9651 B14R1.918 CCCCC(=O)c1cc(ccc1Cl)O 1458a_100000719527_100000210211 [0,2,0,0,0,0|1,0,0]=3 9652 B14R1.918 CCCCC(=O)c1cc(ccc1F)Br 1458a_100000212322_100000210211 [0,2,0,0,0,0|1,0,0]=3 9653 B14R1.918 CCCCC(=O)c1cc(ccc1F)C 1458a_100000749327_100000210211 [0,2,0,0,0,0|1,0,0]=3 9654 B14R1.918 CCCCC(=O)c1cc(ccc1F)Cl 1458a_100000214954_100000210211 [0,2,0,0,0,0|1,0,0]=3 9655 B14R1.918 CCCCC(=O)c1cc(ccc1F)F 1458a_100000198512_100000210211 [0,2,0,0,0,0|1,0,0]=3 9656 B14R1.918 CCCCC(=O)c1cc(ccc1F)I 1458a_100000688014_100000210211 [0,2,0,0,0,0|1,0,0]=3 9657 B14R1.918 CCCCC(=O)c1cc(ccc1F)O 1458a_100000037260_100000210211 [0,2,0,0,0,0|1,0,0]=3 9658 B14R1.918 CCCCC(=O)c1cc(ccc1I)Br 1458a_100000183945_100000210211 [0,2,0,0,0,0|1,0,0]=3 9659 B14R1.918 CCCCC(=O)c1cc(ccc1I)C 1458a_100000057929_100000210211 [0,2,0,0,0,0|1,0,0]=3 9660 B14R1.918 CCCCC(=O)c1cc(ccc1I)Cl 1458a_100000739379_100000210211 [0,2,0,0,0,0|1,0,0]=3 9661 B14R1.918 CCCCC(=O)c1cc(ccc1I)F 1458a_100000748905_100000210211 [0,2,0,0,0,0|1,0,0]=3 9662 B14R1.918 CCCCC(=O)c1cc(ccc1I)I 1458a_100000750460_100000210211 [0,2,0,0,0,0|1,0,0]=3 9663 B14R1.918 CCCCC(=O)c1cc(ccc1I)O 1458a_200009995701_100000210211 [0,2,0,0,0,0|1,0,0]=3 9664 B14R1.918 CCCCC(=O)c1cc(ccc1O)Br 1458a_100000212140_100000210211 [0,2,0,0,0,0|1,0,0]=3 9665 B14R1.918 CCCCC(=O)c1cc(ccc1O)C 1458a_100000229998_100000210211 [0,2,0,0,0,0|1,0,0]=3 9666 B14R1.918 CCCCC(=O)c1cc(ccc1O)Cl 1458a_100000212143_100000210211 [0,2,0,0,0,0|1,0,0]=3 9667 B14R1.918 CCCCC(=O)c1cc(ccc1O)F 1458a_100000742286_100000210211 [0,2,0,0,0,0|1,0,0]=3 9668 B14R1.918 CCCCC(=O)c1cc(ccc1O)I 1458a_100000212111_100000210211 [0,2,0,0,0,0|1,0,0]=3 9669 B14R1.918 CCCCC(=O)c1cc(ccc1O)O 1458a_100000758025_100000210211 [0,2,0,0,0,0|1,0,0]=3 9670 B14R1.918 CCCNC(=O)c1cc(ccc1Br)Br 11a_100020643023_100000690610 [0,2,0,0,0,0|1,0,0]=3 9671 B14R1.918 CCCNC(=O)c1cc(ccc1Br)Br 1626a_100020643023_100000690610 [0,2,0,0,0,0|1,0,0]=3 9672 B14R1.918 CCCNC(=O)c1cc(ccc1Br)Br 240690a_100020643023_100000690610 [0,2,0,0,0,0|1,0,0]=3 9673 B14R1.918 CCCNC(=O)c1cc(ccc1Br)Br 527a_100020643023_100000690610 [0,2,0,0,0,0|1,0,0]=3 9674 B14R1.918 CCCNC(=O)c1cc(ccc1Br)C 11a_100020643023_100000689033 [0,2,0,0,0,0|1,0,0]=3 9675 B14R1.918 CCCNC(=O)c1cc(ccc1Br)C 1626a_100020643023_100000689033 [0,2,0,0,0,0|1,0,0]=3 9676 B14R1.918 CCCNC(=O)c1cc(ccc1Br)C 240690a_100020643023_100000689033 [0,2,0,0,0,0|1,0,0]=3 9677 B14R1.918 CCCNC(=O)c1cc(ccc1Br)C 527a_100020643023_100000689033 [0,2,0,0,0,0|1,0,0]=3 9678 B14R1.918 CCCNC(=O)c1cc(ccc1Br)Cl 11a_100020643023_100000736951 [0,2,0,0,0,0|1,0,0]=3 9679 B14R1.918 CCCNC(=O)c1cc(ccc1Br)Cl 1626a_100020643023_100000736951 [0,2,0,0,0,0|1,0,0]=3 9680 B14R1.918 CCCNC(=O)c1cc(ccc1Br)Cl 240690a_100020643023_100000736951 [0,2,0,0,0,0|1,0,0]=3 9681 B14R1.918 CCCNC(=O)c1cc(ccc1Br)Cl 527a_100020643023_100000736951 [0,2,0,0,0,0|1,0,0]=3 9682 B14R1.918 CCCNC(=O)c1cc(ccc1Br)F 11a_100020643023_100000212315 [0,2,0,0,0,0|1,0,0]=3 9683 B14R1.918 CCCNC(=O)c1cc(ccc1Br)F 1626a_100020643023_100000212315 [0,2,0,0,0,0|1,0,0]=3 9684 B14R1.918 CCCNC(=O)c1cc(ccc1Br)F 240690a_100020643023_100000212315 [0,2,0,0,0,0|1,0,0]=3 9685 B14R1.918 CCCNC(=O)c1cc(ccc1Br)F 527a_100020643023_100000212315 [0,2,0,0,0,0|1,0,0]=3 9686 B14R1.918 CCCNC(=O)c1cc(ccc1Br)I 11a_100020643023_100000698340 [0,2,0,0,0,0|1,0,0]=3 9687 B14R1.918 CCCNC(=O)c1cc(ccc1Br)I 1626a_100020643023_100000698340 [0,2,0,0,0,0|1,0,0]=3 9688 B14R1.918 CCCNC(=O)c1cc(ccc1Br)I 240690a_100020643023_100000698340 [0,2,0,0,0,0|1,0,0]=3 9689 B14R1.918 CCCNC(=O)c1cc(ccc1Br)I 527a_100020643023_100000698340 [0,2,0,0,0,0|1,0,0]=3 9690 B14R1.918 CCCNC(=O)c1cc(ccc1Br)O 240690a_100020643023_100012352043 [0,2,0,0,0,0|1,0,0]=3 9691 B14R1.918 CCCNC(=O)c1cc(ccc1Br)O 527a_100020643023_100012352043 [0,2,0,0,0,0|1,0,0]=3 9692 B14R1.918 CCCNC(=O)c1cc(ccc1C)Br 11a_100020643023_100000759961 [0,2,0,0,0,0|1,0,0]=3 9693 B14R1.918 CCCNC(=O)c1cc(ccc1C)Br 1626a_100020643023_100000759961 [0,2,0,0,0,0|1,0,0]=3 9694 B14R1.918 CCCNC(=O)c1cc(ccc1C)Br 240690a_100020643023_100000759961 [0,2,0,0,0,0|1,0,0]=3 9695 B14R1.918 CCCNC(=O)c1cc(ccc1C)Br 527a_100020643023_100000759961 [0,2,0,0,0,0|1,0,0]=3 9696 B14R1.918 CCCNC(=O)c1cc(ccc1C)C 11a_100020643023_100000195421 [0,2,0,0,0,0|1,0,0]=3 9697 B14R1.918 CCCNC(=O)c1cc(ccc1C)C 1626a_100020643023_100000195421 [0,2,0,0,0,0|1,0,0]=3 9698 B14R1.918 CCCNC(=O)c1cc(ccc1C)C 240690a_100020643023_100000195421 [0,2,0,0,0,0|1,0,0]=3 9699 B14R1.918 CCCNC(=O)c1cc(ccc1C)C 527a_100020643023_100000195421 [0,2,0,0,0,0|1,0,0]=3 9700 B14R1.918 CCCNC(=O)c1cc(ccc1C)Cl 11a_100020643023_100000692595 [0,2,0,0,0,0|1,0,0]=3 9701 B14R1.918 CCCNC(=O)c1cc(ccc1C)Cl 1626a_100020643023_100000692595 [0,2,0,0,0,0|1,0,0]=3 9702 B14R1.918 CCCNC(=O)c1cc(ccc1C)Cl 240690a_100020643023_100000692595 [0,2,0,0,0,0|1,0,0]=3 9703 B14R1.918 CCCNC(=O)c1cc(ccc1C)Cl 527a_100020643023_100000692595 [0,2,0,0,0,0|1,0,0]=3 9704 B14R1.918 CCCNC(=O)c1cc(ccc1C)F 11a_100020643023_100000240043 [0,2,0,0,0,0|1,0,0]=3 9705 B14R1.918 CCCNC(=O)c1cc(ccc1C)F 1626a_100020643023_100000240043 [0,2,0,0,0,0|1,0,0]=3 9706 B14R1.918 CCCNC(=O)c1cc(ccc1C)F 240690a_100020643023_100000240043 [0,2,0,0,0,0|1,0,0]=3 9707 B14R1.918 CCCNC(=O)c1cc(ccc1C)F 527a_100020643023_100000240043 [0,2,0,0,0,0|1,0,0]=3 9708 B14R1.918 CCCNC(=O)c1cc(ccc1C)I 11a_100020643023_100000688012 [0,2,0,0,0,0|1,0,0]=3 9709 B14R1.918 CCCNC(=O)c1cc(ccc1C)I 1626a_100020643023_100000688012 [0,2,0,0,0,0|1,0,0]=3 9710 B14R1.918 CCCNC(=O)c1cc(ccc1C)I 240690a_100020643023_100000688012 [0,2,0,0,0,0|1,0,0]=3 9711 B14R1.918 CCCNC(=O)c1cc(ccc1C)I 527a_100020643023_100000688012 [0,2,0,0,0,0|1,0,0]=3 9712 B14R1.918 CCCNC(=O)c1cc(ccc1C)O 240690a_100020643023_100000687834 [0,2,0,0,0,0|1,0,0]=3 9713 B14R1.918 CCCNC(=O)c1cc(ccc1Cl)Br 11a_100020643023_100000211212 [0,2,0,0,0,0|1,0,0]=3 9714 B14R1.918 CCCNC(=O)c1cc(ccc1Cl)Br 1626a_100020643023_100000211212 [0,2,0,0,0,0|1,0,0]=3 9715 B14R1.918 CCCNC(=O)c1cc(ccc1Cl)Br 240690a_100020643023_100000211212 [0,2,0,0,0,0|1,0,0]=3 9716 B14R1.918 CCCNC(=O)c1cc(ccc1Cl)Br 527a_100020643023_100000211212 [0,2,0,0,0,0|1,0,0]=3 9717 B14R1.918 CCCNC(=O)c1cc(ccc1Cl)C 11a_100020643023_100011290873 [0,2,0,0,0,0|1,0,0]=3 9718 B14R1.918 CCCNC(=O)c1cc(ccc1Cl)C 1626a_100020643023_100011290873 [0,2,0,0,0,0|1,0,0]=3 9719 B14R1.918 CCCNC(=O)c1cc(ccc1Cl)C 240690a_100020643023_100011290873 [0,2,0,0,0,0|1,0,0]=3 9720 B14R1.918 CCCNC(=O)c1cc(ccc1Cl)C 527a_100020643023_100011290873 [0,2,0,0,0,0|1,0,0]=3 9721 B14R1.918 CCCNC(=O)c1cc(ccc1Cl)Cl 11a_100020643023_100000210642 [0,2,0,0,0,0|1,0,0]=3 9722 B14R1.918 CCCNC(=O)c1cc(ccc1Cl)Cl 1626a_100020643023_100000210642 [0,2,0,0,0,0|1,0,0]=3 9723 B14R1.918 CCCNC(=O)c1cc(ccc1Cl)Cl 240690a_100020643023_100000210642 [0,2,0,0,0,0|1,0,0]=3 9724 B14R1.918 CCCNC(=O)c1cc(ccc1Cl)Cl 527a_100020643023_100000210642 [0,2,0,0,0,0|1,0,0]=3 9725 B14R1.918 CCCNC(=O)c1cc(ccc1Cl)F 11a_100020643023_100011219680 [0,2,0,0,0,0|1,0,0]=3 9726 B14R1.918 CCCNC(=O)c1cc(ccc1Cl)F 1626a_100020643023_100011219680 [0,2,0,0,0,0|1,0,0]=3 9727 B14R1.918 CCCNC(=O)c1cc(ccc1Cl)F 240690a_100020643023_100011219680 [0,2,0,0,0,0|1,0,0]=3 9728 B14R1.918 CCCNC(=O)c1cc(ccc1Cl)F 527a_100020643023_100011219680 [0,2,0,0,0,0|1,0,0]=3 9729 B14R1.918 CCCNC(=O)c1cc(ccc1Cl)I 11a_100020643023_100000688013 [0,2,0,0,0,0|1,0,0]=3 9730 B14R1.918 CCCNC(=O)c1cc(ccc1Cl)I 1626a_100020643023_100000688013 [0,2,0,0,0,0|1,0,0]=3 9731 B14R1.918 CCCNC(=O)c1cc(ccc1Cl)I 240690a_100020643023_100000688013 [0,2,0,0,0,0|1,0,0]=3 9732 B14R1.918 CCCNC(=O)c1cc(ccc1Cl)I 527a_100020643023_100000688013 [0,2,0,0,0,0|1,0,0]=3 9733 B14R1.918 CCCNC(=O)c1cc(ccc1Cl)O 240690a_100020643023_100000719527 [0,2,0,0,0,0|1,0,0]=3 9734 B14R1.918 CCCNC(=O)c1cc(ccc1Cl)O 527a_100020643023_100000719527 [0,2,0,0,0,0|1,0,0]=3 9735 B14R1.918 CCCNC(=O)c1cc(ccc1F)Br 11a_100020643023_100000212322 [0,2,0,0,0,0|1,0,0]=3 9736 B14R1.918 CCCNC(=O)c1cc(ccc1F)Br 1626a_100020643023_100000212322 [0,2,0,0,0,0|1,0,0]=3 9737 B14R1.918 CCCNC(=O)c1cc(ccc1F)Br 240690a_100020643023_100000212322 [0,2,0,0,0,0|1,0,0]=3 9738 B14R1.918 CCCNC(=O)c1cc(ccc1F)Br 527a_100020643023_100000212322 [0,2,0,0,0,0|1,0,0]=3 9739 B14R1.918 CCCNC(=O)c1cc(ccc1F)C 11a_100020643023_100000749327 [0,2,0,0,0,0|1,0,0]=3 9740 B14R1.918 CCCNC(=O)c1cc(ccc1F)C 1626a_100020643023_100000749327 [0,2,0,0,0,0|1,0,0]=3 9741 B14R1.918 CCCNC(=O)c1cc(ccc1F)C 240690a_100020643023_100000749327 [0,2,0,0,0,0|1,0,0]=3 9742 B14R1.918 CCCNC(=O)c1cc(ccc1F)C 527a_100020643023_100000749327 [0,2,0,0,0,0|1,0,0]=3 9743 B14R1.918 CCCNC(=O)c1cc(ccc1F)Cl 11a_100020643023_100000214954 [0,2,0,0,0,0|1,0,0]=3 9744 B14R1.918 CCCNC(=O)c1cc(ccc1F)Cl 1626a_100020643023_100000214954 [0,2,0,0,0,0|1,0,0]=3 9745 B14R1.918 CCCNC(=O)c1cc(ccc1F)Cl 240690a_100020643023_100000214954 [0,2,0,0,0,0|1,0,0]=3 9746 B14R1.918 CCCNC(=O)c1cc(ccc1F)Cl 527a_100020643023_100000214954 [0,2,0,0,0,0|1,0,0]=3 9747 B14R1.918 CCCNC(=O)c1cc(ccc1F)F 11a_100020643023_100000198512 [0,2,0,0,0,0|1,0,0]=3 9748 B14R1.918 CCCNC(=O)c1cc(ccc1F)F 1626a_100020643023_100000198512 [0,2,0,0,0,0|1,0,0]=3 9749 B14R1.918 CCCNC(=O)c1cc(ccc1F)F 240690a_100020643023_100000198512 [0,2,0,0,0,0|1,0,0]=3 9750 B14R1.918 CCCNC(=O)c1cc(ccc1F)F 527a_100020643023_100000198512 [0,2,0,0,0,0|1,0,0]=3 9751 B14R1.918 CCCNC(=O)c1cc(ccc1F)I 11a_100020643023_100000688014 [0,2,0,0,0,0|1,0,0]=3 9752 B14R1.918 CCCNC(=O)c1cc(ccc1F)I 1626a_100020643023_100000688014 [0,2,0,0,0,0|1,0,0]=3 9753 B14R1.918 CCCNC(=O)c1cc(ccc1F)I 240690a_100020643023_100000688014 [0,2,0,0,0,0|1,0,0]=3 9754 B14R1.918 CCCNC(=O)c1cc(ccc1F)I 527a_100020643023_100000688014 [0,2,0,0,0,0|1,0,0]=3 9755 B14R1.918 CCCNC(=O)c1cc(ccc1F)O 240690a_100020643023_100000037260 [0,2,0,0,0,0|1,0,0]=3 9756 B14R1.918 CCCNC(=O)c1cc(ccc1F)O 527a_100020643023_100000037260 [0,2,0,0,0,0|1,0,0]=3 9757 B14R1.918 CCCNC(=O)c1cc(ccc1I)Br 11a_100020643023_100000183945 [0,2,0,0,0,0|1,0,0]=3 9758 B14R1.918 CCCNC(=O)c1cc(ccc1I)Br 1626a_100020643023_100000183945 [0,2,0,0,0,0|1,0,0]=3 9759 B14R1.918 CCCNC(=O)c1cc(ccc1I)Br 240690a_100020643023_100000183945 [0,2,0,0,0,0|1,0,0]=3 9760 B14R1.918 CCCNC(=O)c1cc(ccc1I)C 11a_100020643023_100000057929 [0,2,0,0,0,0|1,0,0]=3 9761 B14R1.918 CCCNC(=O)c1cc(ccc1I)C 1626a_100020643023_100000057929 [0,2,0,0,0,0|1,0,0]=3 9762 B14R1.918 CCCNC(=O)c1cc(ccc1I)C 240690a_100020643023_100000057929 [0,2,0,0,0,0|1,0,0]=3 9763 B14R1.918 CCCNC(=O)c1cc(ccc1I)C 527a_100020643023_100000057929 [0,2,0,0,0,0|1,0,0]=3 9764 B14R1.918 CCCNC(=O)c1cc(ccc1I)Cl 11a_100020643023_100000739379 [0,2,0,0,0,0|1,0,0]=3 9765 B14R1.918 CCCNC(=O)c1cc(ccc1I)Cl 1626a_100020643023_100000739379 [0,2,0,0,0,0|1,0,0]=3 9766 B14R1.918 CCCNC(=O)c1cc(ccc1I)Cl 240690a_100020643023_100000739379 [0,2,0,0,0,0|1,0,0]=3 9767 B14R1.918 CCCNC(=O)c1cc(ccc1I)Cl 527a_100020643023_100000739379 [0,2,0,0,0,0|1,0,0]=3 9768 B14R1.918 CCCNC(=O)c1cc(ccc1I)F 11a_100020643023_100000748905 [0,2,0,0,0,0|1,0,0]=3 9769 B14R1.918 CCCNC(=O)c1cc(ccc1I)F 1626a_100020643023_100000748905 [0,2,0,0,0,0|1,0,0]=3 9770 B14R1.918 CCCNC(=O)c1cc(ccc1I)F 240690a_100020643023_100000748905 [0,2,0,0,0,0|1,0,0]=3 9771 B14R1.918 CCCNC(=O)c1cc(ccc1I)F 527a_100020643023_100000748905 [0,2,0,0,0,0|1,0,0]=3 9772 B14R1.918 CCCNC(=O)c1cc(ccc1I)I 11a_100020643023_100000750460 [0,2,0,0,0,0|1,0,0]=3 9773 B14R1.918 CCCNC(=O)c1cc(ccc1I)I 1626a_100020643023_100000750460 [0,2,0,0,0,0|1,0,0]=3 9774 B14R1.918 CCCNC(=O)c1cc(ccc1I)I 240690a_100020643023_100000750460 [0,2,0,0,0,0|1,0,0]=3 9775 B14R1.918 CCCNC(=O)c1cc(ccc1I)I 527a_100020643023_100000750460 [0,2,0,0,0,0|1,0,0]=3 9776 B14R1.918 CCCNC(=O)c1cc(ccc1I)O 1626a_100020643023_200009995701 [0,2,0,0,0,0|1,0,0]=3 9777 B14R1.918 CCCNC(=O)c1cc(ccc1I)O 240690a_100020643023_200009995701 [0,2,0,0,0,0|1,0,0]=3 9778 B14R1.918 CCCNC(=O)c1cc(ccc1I)O 527a_100020643023_200009995701 [0,2,0,0,0,0|1,0,0]=3 9779 B14R1.918 CCCNC(=O)c1cc(ccc1O)Br 1626a_100020643023_100000212140 [0,2,0,0,0,0|1,0,0]=3 9780 B14R1.918 CCCNC(=O)c1cc(ccc1O)Br 240690a_100020643023_100000212140 [0,2,0,0,0,0|1,0,0]=3 9781 B14R1.918 CCCNC(=O)c1cc(ccc1O)Br 527a_100020643023_100000212140 [0,2,0,0,0,0|1,0,0]=3 9782 B14R1.918 CCCNC(=O)c1cc(ccc1O)C 240690a_100020643023_100000229998 [0,2,0,0,0,0|1,0,0]=3 9783 B14R1.918 CCCNC(=O)c1cc(ccc1O)C 527a_100020643023_100000229998 [0,2,0,0,0,0|1,0,0]=3 9784 B14R1.918 CCCNC(=O)c1cc(ccc1O)Cl 11a_100020643023_100000212143 [0,2,0,0,0,0|1,0,0]=3 9785 B14R1.918 CCCNC(=O)c1cc(ccc1O)Cl 1626a_100020643023_100000212143 [0,2,0,0,0,0|1,0,0]=3 9786 B14R1.918 CCCNC(=O)c1cc(ccc1O)Cl 240690a_100020643023_100000212143 [0,2,0,0,0,0|1,0,0]=3 9787 B14R1.918 CCCNC(=O)c1cc(ccc1O)Cl 527a_100020643023_100000212143 [0,2,0,0,0,0|1,0,0]=3 9788 B14R1.918 CCCNC(=O)c1cc(ccc1O)F 240690a_100020643023_100000742286 [0,2,0,0,0,0|1,0,0]=3 9789 B14R1.918 CCCNC(=O)c1cc(ccc1O)F 527a_100020643023_100000742286 [0,2,0,0,0,0|1,0,0]=3 9790 B14R1.918 CCCNC(=O)c1cc(ccc1O)I 240690a_100020643023_100000212111 [0,2,0,0,0,0|1,0,0]=3 9791 B14R1.918 CCCNC(=O)c1cc(ccc1O)I 527a_100020643023_100000212111 [0,2,0,0,0,0|1,0,0]=3 9792 B14R1.918 CCCOC(C)c1cc(ccc1C)C 34a_200000246511_100000210303 [0,2,0,0,0,0|1,0,1]=4 9793 B14R1.918 CCCOC(C)c1cc(ccc1C)C 7a_200000246511_100000210303 [0,2,0,0,0,0|1,0,1]=4 9794 B14R1.918 CCCOC(C)c1cc(ccc1C)Cl 34a_100012002745_100000210303 [0,2,0,0,0,0|1,0,1]=4 9795 B14R1.918 CCCOC(C)c1cc(ccc1C)Cl 7a_100012002745_100000210303 [0,2,0,0,0,0|1,0,1]=4 9796 B14R1.918 CCCOC(C)c1cc(ccc1Cl)Cl 34a_100000742519_100000210303 [0,2,0,0,0,0|1,0,1]=4 9797 B14R1.918 CCCOC(C)c1cc(ccc1Cl)Cl 7a_100000742519_100000210303 [0,2,0,0,0,0|1,0,1]=4 9798 B14R1.918 CCCOC(C)c1cc(ccc1F)Br 34a_100011943926_100000210303 [0,2,0,0,0,0|1,0,1]=4 9799 B14R1.918 CCCOC(C)c1cc(ccc1F)Br 7a_100011943926_100000210303 [0,2,0,0,0,0|1,0,1]=4 9800 B14R1.918 CCCOC(C)c1cc(ccc1F)F 34a_100000246540_100000210303 [0,2,0,0,0,0|1,0,1]=4 9801 B14R1.918 CCCOC(C)c1cc(ccc1F)F 7a_100000246540_100000210303 [0,2,0,0,0,0|1,0,1]=4 9802 B14R1.918 CCCO[C@@H](C)c1cc(ccc1I)F 34a_100134768474_100000210303 [0,2,0,0,0,0|1,0,1]=4 9803 B14R1.918 CCCO[C@@H](C)c1cc(ccc1I)F 7a_100134768474_100000210303 [0,2,0,0,0,0|1,0,1]=4 9804 B14R1.918 CCNCC(=O)c1cc(ccc1Br)Cl 2230a_100015525214_100012361344 [0,2,0,0,0,0|2,0,0]=4 9805 B14R1.918 CCNCC(=O)c1cc(ccc1C)C 2230a_100015525214_100000183774 [0,2,0,0,0,0|2,0,0]=4 9806 B14R1.918 CCNCC(=O)c1cc(ccc1Cl)Cl 2230a_100015525214_100000183120 [0,2,0,0,0,0|2,0,0]=4 9807 B14R1.918 CCNNC(=O)c1cc(ccc1Br)Br 22a_100000756455_100000690610 [0,2,0,0,0,0|2,0,0]=4 9808 B14R1.918 CCNNC(=O)c1cc(ccc1Br)C 22a_100000756455_100000689033 [0,2,0,0,0,0|2,0,0]=4 9809 B14R1.918 CCNNC(=O)c1cc(ccc1Br)Cl 22a_100000756455_100000736951 [0,2,0,0,0,0|2,0,0]=4 9810 B14R1.918 CCNNC(=O)c1cc(ccc1Br)F 22a_100000756455_100000212315 [0,2,0,0,0,0|2,0,0]=4 9811 B14R1.918 CCNNC(=O)c1cc(ccc1Br)I 22a_100000756455_100000698340 [0,2,0,0,0,0|2,0,0]=4 9812 B14R1.918 CCNNC(=O)c1cc(ccc1Br)O 22a_100000756455_100012352043 [0,2,0,0,0,0|2,0,0]=4 9813 B14R1.918 CCNNC(=O)c1cc(ccc1C)Br 22a_100000756455_100000759961 [0,2,0,0,0,0|2,0,0]=4 9814 B14R1.918 CCNNC(=O)c1cc(ccc1C)C 22a_100000756455_100000195421 [0,2,0,0,0,0|2,0,0]=4 9815 B14R1.918 CCNNC(=O)c1cc(ccc1C)Cl 22a_100000756455_100000692595 [0,2,0,0,0,0|2,0,0]=4 9816 B14R1.918 CCNNC(=O)c1cc(ccc1C)F 22a_100000756455_100000240043 [0,2,0,0,0,0|2,0,0]=4 9817 B14R1.918 CCNNC(=O)c1cc(ccc1C)I 22a_100000756455_100000688012 [0,2,0,0,0,0|2,0,0]=4 9818 B14R1.918 CCNNC(=O)c1cc(ccc1C)O 22a_100000756455_100000687834 [0,2,0,0,0,0|2,0,0]=4 9819 B14R1.918 CCNNC(=O)c1cc(ccc1Cl)Br 22a_100000756455_100000211212 [0,2,0,0,0,0|2,0,0]=4 9820 B14R1.918 CCNNC(=O)c1cc(ccc1Cl)C 22a_100000756455_100011290873 [0,2,0,0,0,0|2,0,0]=4 9821 B14R1.918 CCNNC(=O)c1cc(ccc1Cl)Cl 22a_100000756455_100000210642 [0,2,0,0,0,0|2,0,0]=4 9822 B14R1.918 CCNNC(=O)c1cc(ccc1Cl)F 22a_100000756455_100011219680 [0,2,0,0,0,0|2,0,0]=4 9823 B14R1.918 CCNNC(=O)c1cc(ccc1Cl)I 22a_100000756455_100000688013 [0,2,0,0,0,0|2,0,0]=4 9824 B14R1.918 CCNNC(=O)c1cc(ccc1Cl)O 22a_100000756455_100000719527 [0,2,0,0,0,0|2,0,0]=4 9825 B14R1.918 CCNNC(=O)c1cc(ccc1F)Br 22a_100000756455_100000212322 [0,2,0,0,0,0|2,0,0]=4 9826 B14R1.918 CCNNC(=O)c1cc(ccc1F)C 22a_100000756455_100000749327 [0,2,0,0,0,0|2,0,0]=4 9827 B14R1.918 CCNNC(=O)c1cc(ccc1F)Cl 22a_100000756455_100000214954 [0,2,0,0,0,0|2,0,0]=4 9828 B14R1.918 CCNNC(=O)c1cc(ccc1F)F 22a_100000756455_100000198512 [0,2,0,0,0,0|2,0,0]=4 9829 B14R1.918 CCNNC(=O)c1cc(ccc1F)I 22a_100000756455_100000688014 [0,2,0,0,0,0|2,0,0]=4 9830 B14R1.918 CCNNC(=O)c1cc(ccc1F)O 22a_100000756455_100000037260 [0,2,0,0,0,0|2,0,0]=4 9831 B14R1.918 CCNNC(=O)c1cc(ccc1I)Br 22a_100000756455_100000183945 [0,2,0,0,0,0|2,0,0]=4 9832 B14R1.918 CCNNC(=O)c1cc(ccc1I)C 22a_100000756455_100000057929 [0,2,0,0,0,0|2,0,0]=4 9833 B14R1.918 CCNNC(=O)c1cc(ccc1I)Cl 22a_100000756455_100000739379 [0,2,0,0,0,0|2,0,0]=4 9834 B14R1.918 CCNNC(=O)c1cc(ccc1I)F 22a_100000756455_100000748905 [0,2,0,0,0,0|2,0,0]=4 9835 B14R1.918 CCNNC(=O)c1cc(ccc1I)I 22a_100000756455_100000750460 [0,2,0,0,0,0|2,0,0]=4 9836 B14R1.918 CCNNC(=O)c1cc(ccc1I)O 22a_100000756455_200009995701 [0,2,0,0,0,0|2,0,0]=4 9837 B14R1.918 CCNNC(=O)c1cc(ccc1O)Br 22a_100000756455_100000212140 [0,2,0,0,0,0|2,0,0]=4 9838 B14R1.918 CCNNC(=O)c1cc(ccc1O)C 22a_100000756455_100000229998 [0,2,0,0,0,0|2,0,0]=4 9839 B14R1.918 CCNNC(=O)c1cc(ccc1O)Cl 22a_100000756455_100000212143 [0,2,0,0,0,0|2,0,0]=4 9840 B14R1.918 CCNNC(=O)c1cc(ccc1O)F 22a_100000756455_100000742286 [0,2,0,0,0,0|2,0,0]=4 9841 B14R1.918 CCNNC(=O)c1cc(ccc1O)I 22a_100000756455_100000212111 [0,2,0,0,0,0|2,0,0]=4 9842 B14R1.918 CCOCC(=O)c1cc(ccc1Br)Cl 34a_100121572206_100012361344 [0,2,0,0,0,0|2,0,0]=4 9843 B14R1.918 CCOCC(=O)c1cc(ccc1C)C 34a_100121572206_100000183774 [0,2,0,0,0,0|2,0,0]=4 9844 B14R1.918 CCOCC(=O)c1cc(ccc1Cl)F 34a_100121572206_200010187420 [0,2,0,0,0,0|2,0,0]=4 9845 B14R1.918 CCOCC(=O)c1cc(ccc1F)F 34a_100121572206_100000211571 [0,2,0,0,0,0|2,0,0]=4 9846 B14R1.918 CCOCC(=O)c1cc(ccc1O)Br 34a_100121572206_200009828000 [0,2,0,0,0,0|2,0,0]=4 9847 B14R1.918 CCOCC(=O)c1cc(ccc1O)F 34a_100121572206_100009814381 [0,2,0,0,0,0|2,0,0]=4 9848 B14R1.918 CCOCC(=O)c1cc(ccc1O)O 34a_100121572206_100009814097 [0,2,0,0,0,0|2,0,0]=4 9849 B14R1.918 CCSCC(=O)c1cc(ccc1Br)Cl 62a_100012361344_100000210202 [0,2,0,0,0,0|2,0,0]=4 9850 B14R1.918 CCSCC(=O)c1cc(ccc1C)C 62a_100000183774_100000210202 [0,2,0,0,0,0|2,0,0]=4 9851 B14R1.918 CCSCC(=O)c1cc(ccc1C)C 62a_100000210202_100000183774 [0,2,0,0,0,0|2,0,0]=4 9852 B14R1.918 CCSCC(=O)c1cc(ccc1Cl)Cl 62a_100000183120_100000210202 [0,2,0,0,0,0|2,0,0]=4 9853 B14R1.918 CCSCC(=O)c1cc(ccc1Cl)F 62a_100000210202_200010187420 [0,2,0,0,0,0|2,0,0]=4 9854 B14R1.918 CCSCC(=O)c1cc(ccc1Cl)F 62a_200010187420_100000210202 [0,2,0,0,0,0|2,0,0]=4 9855 B14R1.918 CCSCC(=O)c1cc(ccc1F)F 62a_100000210202_100000211571 [0,2,0,0,0,0|2,0,0]=4 9856 B14R1.918 CCSCC(=O)c1cc(ccc1F)F 62a_100000211571_100000210202 [0,2,0,0,0,0|2,0,0]=4 9857 B14R1.918 CCSCC(=O)c1cc(ccc1O)Br 62a_200009828000_100000210202 [0,2,0,0,0,0|2,0,0]=4 9858 B14R1.918 CCSCC(=O)c1cc(ccc1O)Cl 62a_200009816716_100000210202 [0,2,0,0,0,0|2,0,0]=4 9859 B14R1.918 CCSCC(=O)c1cc(ccc1O)F 62a_100000210202_100009814381 [0,2,0,0,0,0|2,0,0]=4 9860 B14R1.918 CCSCC(=O)c1cc(ccc1O)F 62a_100009814381_100000210202 [0,2,0,0,0,0|2,0,0]=4 9861 B14R1.918 CCSCC(=O)c1cc(ccc1O)O 62a_100000210202_100009814097 [0,2,0,0,0,0|2,0,0]=4 9862 B14R1.918 CCSCC(=O)c1cc(ccc1O)O 62a_100009814097_100000210202 [0,2,0,0,0,0|2,0,0]=4 9863 B14R1.918 COCCC(=O)c1cc(ccc1Br)Br 1458a_100000690610_100000233755 [0,2,0,0,0,0|2,0,0]=4 9864 B14R1.918 COCCC(=O)c1cc(ccc1Br)C 1458a_100000689033_100000233755 [0,2,0,0,0,0|2,0,0]=4 9865 B14R1.918 COCCC(=O)c1cc(ccc1Br)Cl 1458a_100000736951_100000233755 [0,2,0,0,0,0|2,0,0]=4 9866 B14R1.918 COCCC(=O)c1cc(ccc1Br)F 1458a_100000212315_100000233755 [0,2,0,0,0,0|2,0,0]=4 9867 B14R1.918 COCCC(=O)c1cc(ccc1Br)I 1458a_100000698340_100000233755 [0,2,0,0,0,0|2,0,0]=4 9868 B14R1.918 COCCC(=O)c1cc(ccc1Br)O 1458a_100012352043_100000233755 [0,2,0,0,0,0|2,0,0]=4 9869 B14R1.918 COCCC(=O)c1cc(ccc1C)Br 1458a_100000759961_100000233755 [0,2,0,0,0,0|2,0,0]=4 9870 B14R1.918 COCCC(=O)c1cc(ccc1C)C 1458a_100000195421_100000233755 [0,2,0,0,0,0|2,0,0]=4 9871 B14R1.918 COCCC(=O)c1cc(ccc1C)Cl 1458a_100000692595_100000233755 [0,2,0,0,0,0|2,0,0]=4 9872 B14R1.918 COCCC(=O)c1cc(ccc1C)F 1458a_100000240043_100000233755 [0,2,0,0,0,0|2,0,0]=4 9873 B14R1.918 COCCC(=O)c1cc(ccc1C)I 1458a_100000688012_100000233755 [0,2,0,0,0,0|2,0,0]=4 9874 B14R1.918 COCCC(=O)c1cc(ccc1C)O 1458a_100000687834_100000233755 [0,2,0,0,0,0|2,0,0]=4 9875 B14R1.918 COCCC(=O)c1cc(ccc1Cl)Br 1458a_100000211212_100000233755 [0,2,0,0,0,0|2,0,0]=4 9876 B14R1.918 COCCC(=O)c1cc(ccc1Cl)C 1458a_100011290873_100000233755 [0,2,0,0,0,0|2,0,0]=4 9877 B14R1.918 COCCC(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_100000233755 [0,2,0,0,0,0|2,0,0]=4 9878 B14R1.918 COCCC(=O)c1cc(ccc1Cl)F 1458a_100011219680_100000233755 [0,2,0,0,0,0|2,0,0]=4 9879 B14R1.918 COCCC(=O)c1cc(ccc1Cl)I 1458a_100000688013_100000233755 [0,2,0,0,0,0|2,0,0]=4 9880 B14R1.918 COCCC(=O)c1cc(ccc1Cl)O 1458a_100000719527_100000233755 [0,2,0,0,0,0|2,0,0]=4 9881 B14R1.918 COCCC(=O)c1cc(ccc1F)Br 1458a_100000212322_100000233755 [0,2,0,0,0,0|2,0,0]=4 9882 B14R1.918 COCCC(=O)c1cc(ccc1F)C 1458a_100000749327_100000233755 [0,2,0,0,0,0|2,0,0]=4 9883 B14R1.918 COCCC(=O)c1cc(ccc1F)Cl 1458a_100000214954_100000233755 [0,2,0,0,0,0|2,0,0]=4 9884 B14R1.918 COCCC(=O)c1cc(ccc1F)F 1458a_100000198512_100000233755 [0,2,0,0,0,0|2,0,0]=4 9885 B14R1.918 COCCC(=O)c1cc(ccc1F)I 1458a_100000688014_100000233755 [0,2,0,0,0,0|2,0,0]=4 9886 B14R1.918 COCCC(=O)c1cc(ccc1F)O 1458a_100000037260_100000233755 [0,2,0,0,0,0|2,0,0]=4 9887 B14R1.918 COCCC(=O)c1cc(ccc1I)Br 1458a_100000183945_100000233755 [0,2,0,0,0,0|2,0,0]=4 9888 B14R1.918 COCCC(=O)c1cc(ccc1I)C 1458a_100000057929_100000233755 [0,2,0,0,0,0|2,0,0]=4 9889 B14R1.918 COCCC(=O)c1cc(ccc1I)Cl 1458a_100000739379_100000233755 [0,2,0,0,0,0|2,0,0]=4 9890 B14R1.918 COCCC(=O)c1cc(ccc1I)F 1458a_100000748905_100000233755 [0,2,0,0,0,0|2,0,0]=4 9891 B14R1.918 COCCC(=O)c1cc(ccc1I)I 1458a_100000750460_100000233755 [0,2,0,0,0,0|2,0,0]=4 9892 B14R1.918 COCCC(=O)c1cc(ccc1I)O 1458a_200009995701_100000233755 [0,2,0,0,0,0|2,0,0]=4 9893 B14R1.918 COCCC(=O)c1cc(ccc1O)Br 1458a_100000212140_100000233755 [0,2,0,0,0,0|2,0,0]=4 9894 B14R1.918 COCCC(=O)c1cc(ccc1O)C 1458a_100000229998_100000233755 [0,2,0,0,0,0|2,0,0]=4 9895 B14R1.918 COCCC(=O)c1cc(ccc1O)Cl 1458a_100000212143_100000233755 [0,2,0,0,0,0|2,0,0]=4 9896 B14R1.918 COCCC(=O)c1cc(ccc1O)F 1458a_100000742286_100000233755 [0,2,0,0,0,0|2,0,0]=4 9897 B14R1.918 COCCC(=O)c1cc(ccc1O)I 1458a_100000212111_100000233755 [0,2,0,0,0,0|2,0,0]=4 9898 B14R1.918 COCCC(=O)c1cc(ccc1O)O 1458a_100000758025_100000233755 [0,2,0,0,0,0|2,0,0]=4 9899 B14R1.918 CSCCC(=O)c1cc(ccc1Br)Br 1458a_100000690610_100000751147 [0,2,0,0,0,0|2,0,0]=4 9900 B14R1.918 CSCCC(=O)c1cc(ccc1Br)C 1458a_100000689033_100000751147 [0,2,0,0,0,0|2,0,0]=4 9901 B14R1.918 CSCCC(=O)c1cc(ccc1Br)Cl 1458a_100000736951_100000751147 [0,2,0,0,0,0|2,0,0]=4 9902 B14R1.918 CSCCC(=O)c1cc(ccc1Br)F 1458a_100000212315_100000751147 [0,2,0,0,0,0|2,0,0]=4 9903 B14R1.918 CSCCC(=O)c1cc(ccc1Br)I 1458a_100000698340_100000751147 [0,2,0,0,0,0|2,0,0]=4 9904 B14R1.918 CSCCC(=O)c1cc(ccc1Br)O 1458a_100012352043_100000751147 [0,2,0,0,0,0|2,0,0]=4 9905 B14R1.918 CSCCC(=O)c1cc(ccc1C)Br 1458a_100000759961_100000751147 [0,2,0,0,0,0|2,0,0]=4 9906 B14R1.918 CSCCC(=O)c1cc(ccc1C)C 1458a_100000195421_100000751147 [0,2,0,0,0,0|2,0,0]=4 9907 B14R1.918 CSCCC(=O)c1cc(ccc1C)Cl 1458a_100000692595_100000751147 [0,2,0,0,0,0|2,0,0]=4 9908 B14R1.918 CSCCC(=O)c1cc(ccc1C)F 1458a_100000240043_100000751147 [0,2,0,0,0,0|2,0,0]=4 9909 B14R1.918 CSCCC(=O)c1cc(ccc1C)I 1458a_100000688012_100000751147 [0,2,0,0,0,0|2,0,0]=4 9910 B14R1.918 CSCCC(=O)c1cc(ccc1C)O 1458a_100000687834_100000751147 [0,2,0,0,0,0|2,0,0]=4 9911 B14R1.918 CSCCC(=O)c1cc(ccc1Cl)Br 1458a_100000211212_100000751147 [0,2,0,0,0,0|2,0,0]=4 9912 B14R1.918 CSCCC(=O)c1cc(ccc1Cl)C 1458a_100011290873_100000751147 [0,2,0,0,0,0|2,0,0]=4 9913 B14R1.918 CSCCC(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_100000751147 [0,2,0,0,0,0|2,0,0]=4 9914 B14R1.918 CSCCC(=O)c1cc(ccc1Cl)F 1458a_100011219680_100000751147 [0,2,0,0,0,0|2,0,0]=4 9915 B14R1.918 CSCCC(=O)c1cc(ccc1Cl)I 1458a_100000688013_100000751147 [0,2,0,0,0,0|2,0,0]=4 9916 B14R1.918 CSCCC(=O)c1cc(ccc1Cl)O 1458a_100000719527_100000751147 [0,2,0,0,0,0|2,0,0]=4 9917 B14R1.918 CSCCC(=O)c1cc(ccc1F)Br 1458a_100000212322_100000751147 [0,2,0,0,0,0|2,0,0]=4 9918 B14R1.918 CSCCC(=O)c1cc(ccc1F)C 1458a_100000749327_100000751147 [0,2,0,0,0,0|2,0,0]=4 9919 B14R1.918 CSCCC(=O)c1cc(ccc1F)Cl 1458a_100000214954_100000751147 [0,2,0,0,0,0|2,0,0]=4 9920 B14R1.918 CSCCC(=O)c1cc(ccc1F)F 1458a_100000198512_100000751147 [0,2,0,0,0,0|2,0,0]=4 9921 B14R1.918 CSCCC(=O)c1cc(ccc1F)I 1458a_100000688014_100000751147 [0,2,0,0,0,0|2,0,0]=4 9922 B14R1.918 CSCCC(=O)c1cc(ccc1F)O 1458a_100000037260_100000751147 [0,2,0,0,0,0|2,0,0]=4 9923 B14R1.918 CSCCC(=O)c1cc(ccc1I)Br 1458a_100000183945_100000751147 [0,2,0,0,0,0|2,0,0]=4 9924 B14R1.918 CSCCC(=O)c1cc(ccc1I)C 1458a_100000057929_100000751147 [0,2,0,0,0,0|2,0,0]=4 9925 B14R1.918 CSCCC(=O)c1cc(ccc1I)Cl 1458a_100000739379_100000751147 [0,2,0,0,0,0|2,0,0]=4 9926 B14R1.918 CSCCC(=O)c1cc(ccc1I)F 1458a_100000748905_100000751147 [0,2,0,0,0,0|2,0,0]=4 9927 B14R1.918 CSCCC(=O)c1cc(ccc1I)I 1458a_100000750460_100000751147 [0,2,0,0,0,0|2,0,0]=4 9928 B14R1.918 CSCCC(=O)c1cc(ccc1I)O 1458a_200009995701_100000751147 [0,2,0,0,0,0|2,0,0]=4 9929 B14R1.918 CSCCC(=O)c1cc(ccc1O)Br 1458a_100000212140_100000751147 [0,2,0,0,0,0|2,0,0]=4 9930 B14R1.918 CSCCC(=O)c1cc(ccc1O)C 1458a_100000229998_100000751147 [0,2,0,0,0,0|2,0,0]=4 9931 B14R1.918 CSCCC(=O)c1cc(ccc1O)Cl 1458a_100000212143_100000751147 [0,2,0,0,0,0|2,0,0]=4 9932 B14R1.918 CSCCC(=O)c1cc(ccc1O)F 1458a_100000742286_100000751147 [0,2,0,0,0,0|2,0,0]=4 9933 B14R1.918 CSCCC(=O)c1cc(ccc1O)I 1458a_100000212111_100000751147 [0,2,0,0,0,0|2,0,0]=4 9934 B14R1.918 CSCCC(=O)c1cc(ccc1O)O 1458a_100000758025_100000751147 [0,2,0,0,0,0|2,0,0]=4 9935 B14R1.918 Cc1ccc(c(c1)C(=O)CCCF)Br 1458a_100000689033_100011934791 [0,2,0,0,0,0|2,0,0]=4 9936 B14R1.918 Cc1ccc(c(c1)C(=O)CCCF)C 1458a_100000195421_100011934791 [0,2,0,0,0,0|2,0,0]=4 9937 B14R1.918 Cc1ccc(c(c1)C(=O)CCCF)Cl 1458a_100011290873_100011934791 [0,2,0,0,0,0|2,0,0]=4 9938 B14R1.918 Cc1ccc(c(c1)C(=O)CCCF)F 1458a_100000749327_100011934791 [0,2,0,0,0,0|2,0,0]=4 9939 B14R1.918 Cc1ccc(c(c1)C(=O)CCCF)I 1458a_100000057929_100011934791 [0,2,0,0,0,0|2,0,0]=4 9940 B14R1.918 Cc1ccc(c(c1)C(=O)CCCF)O 1458a_100000229998_100011934791 [0,2,0,0,0,0|2,0,0]=4 9941 B14R1.918 Cc1ccc(c(c1)C(=O)CCCO)Br 1458a_100000689033_100011215043 [0,2,0,0,0,0|2,0,0]=4 9942 B14R1.918 Cc1ccc(c(c1)C(=O)CCCO)C 1458a_100000195421_100011215043 [0,2,0,0,0,0|2,0,0]=4 9943 B14R1.918 Cc1ccc(c(c1)C(=O)CCCO)Cl 1458a_100011290873_100011215043 [0,2,0,0,0,0|2,0,0]=4 9944 B14R1.918 Cc1ccc(c(c1)C(=O)CCCO)F 1458a_100000749327_100011215043 [0,2,0,0,0,0|2,0,0]=4 9945 B14R1.918 Cc1ccc(c(c1)C(=O)CCCO)I 1458a_100000057929_100011215043 [0,2,0,0,0,0|2,0,0]=4 9946 B14R1.918 Cc1ccc(c(c1)C(=O)CCCO)O 1458a_100000229998_100011215043 [0,2,0,0,0,0|2,0,0]=4 9947 B14R1.918 Cc1ccc(c(c1)C(=O)NCCF)Br 11a_100000724931_100000689033 [0,2,0,0,0,0|2,0,0]=4 9948 B14R1.918 Cc1ccc(c(c1)C(=O)NCCF)Br 1626a_100000724931_100000689033 [0,2,0,0,0,0|2,0,0]=4 9949 B14R1.918 Cc1ccc(c(c1)C(=O)NCCF)Br 240690a_100000724931_100000689033 [0,2,0,0,0,0|2,0,0]=4 9950 B14R1.918 Cc1ccc(c(c1)C(=O)NCCF)Br 527a_100000724931_100000689033 [0,2,0,0,0,0|2,0,0]=4 9951 B14R1.918 Cc1ccc(c(c1)C(=O)NCCF)C 11a_100000724931_100000195421 [0,2,0,0,0,0|2,0,0]=4 9952 B14R1.918 Cc1ccc(c(c1)C(=O)NCCF)C 1626a_100000724931_100000195421 [0,2,0,0,0,0|2,0,0]=4 9953 B14R1.918 Cc1ccc(c(c1)C(=O)NCCF)C 240690a_100000724931_100000195421 [0,2,0,0,0,0|2,0,0]=4 9954 B14R1.918 Cc1ccc(c(c1)C(=O)NCCF)C 527a_100000724931_100000195421 [0,2,0,0,0,0|2,0,0]=4 9955 B14R1.918 Cc1ccc(c(c1)C(=O)NCCF)Cl 11a_100000724931_100011290873 [0,2,0,0,0,0|2,0,0]=4 9956 B14R1.918 Cc1ccc(c(c1)C(=O)NCCF)Cl 1626a_100000724931_100011290873 [0,2,0,0,0,0|2,0,0]=4 9957 B14R1.918 Cc1ccc(c(c1)C(=O)NCCF)Cl 240690a_100000724931_100011290873 [0,2,0,0,0,0|2,0,0]=4 9958 B14R1.918 Cc1ccc(c(c1)C(=O)NCCF)Cl 527a_100000724931_100011290873 [0,2,0,0,0,0|2,0,0]=4 9959 B14R1.918 Cc1ccc(c(c1)C(=O)NCCF)F 11a_100000724931_100000749327 [0,2,0,0,0,0|2,0,0]=4 9960 B14R1.918 Cc1ccc(c(c1)C(=O)NCCF)F 1626a_100000724931_100000749327 [0,2,0,0,0,0|2,0,0]=4 9961 B14R1.918 Cc1ccc(c(c1)C(=O)NCCF)F 240690a_100000724931_100000749327 [0,2,0,0,0,0|2,0,0]=4 9962 B14R1.918 Cc1ccc(c(c1)C(=O)NCCF)F 527a_100000724931_100000749327 [0,2,0,0,0,0|2,0,0]=4 9963 B14R1.918 Cc1ccc(c(c1)C(=O)NCCF)I 11a_100000724931_100000057929 [0,2,0,0,0,0|2,0,0]=4 9964 B14R1.918 Cc1ccc(c(c1)C(=O)NCCF)I 1626a_100000724931_100000057929 [0,2,0,0,0,0|2,0,0]=4 9965 B14R1.918 Cc1ccc(c(c1)C(=O)NCCF)I 240690a_100000724931_100000057929 [0,2,0,0,0,0|2,0,0]=4 9966 B14R1.918 Cc1ccc(c(c1)C(=O)NCCF)I 527a_100000724931_100000057929 [0,2,0,0,0,0|2,0,0]=4 9967 B14R1.918 Cc1ccc(c(c1)C(=O)NCCF)O 240690a_100000724931_100000229998 [0,2,0,0,0,0|2,0,0]=4 9968 B14R1.918 Cc1ccc(c(c1)C(=O)NCCF)O 527a_100000724931_100000229998 [0,2,0,0,0,0|2,0,0]=4 9969 B14R1.918 Cc1ccc(c(c1)C(=O)NCCO)Br 240690a_100000210304_100000689033 [0,2,0,0,0,0|2,0,0]=4 9970 B14R1.918 Cc1ccc(c(c1)C(=O)NCCO)Br 527a_100000210304_100000689033 [0,2,0,0,0,0|2,0,0]=4 9971 B14R1.918 Cc1ccc(c(c1)C(=O)NCCO)C 240690a_100000210304_100000195421 [0,2,0,0,0,0|2,0,0]=4 9972 B14R1.918 Cc1ccc(c(c1)C(=O)NCCO)C 527a_100000210304_100000195421 [0,2,0,0,0,0|2,0,0]=4 9973 B14R1.918 Cc1ccc(c(c1)C(=O)NCCO)Cl 240690a_100000210304_100011290873 [0,2,0,0,0,0|2,0,0]=4 9974 B14R1.918 Cc1ccc(c(c1)C(=O)NCCO)Cl 527a_100000210304_100011290873 [0,2,0,0,0,0|2,0,0]=4 9975 B14R1.918 Cc1ccc(c(c1)C(=O)NCCO)F 240690a_100000210304_100000749327 [0,2,0,0,0,0|2,0,0]=4 9976 B14R1.918 Cc1ccc(c(c1)C(=O)NCCO)F 527a_100000210304_100000749327 [0,2,0,0,0,0|2,0,0]=4 9977 B14R1.918 Cc1ccc(c(c1)C(=O)NCCO)I 240690a_100000210304_100000057929 [0,2,0,0,0,0|2,0,0]=4 9978 B14R1.918 Cc1ccc(c(c1)C(=O)NCCO)I 527a_100000210304_100000057929 [0,2,0,0,0,0|2,0,0]=4 9979 B14R1.918 Cc1ccc(c(c1)C(=O)NCCO)O 240690a_100000210304_100000229998 [0,2,0,0,0,0|2,0,0]=4 9980 B14R1.918 Cc1ccc(c(c1)C(=O)NCCO)O 527a_100000210304_100000229998 [0,2,0,0,0,0|2,0,0]=4 9981 B14R1.918 Cc1ccc(cc1C(=O)CCCF)Br 1458a_100000759961_100011934791 [0,2,0,0,0,0|2,0,0]=4 9982 B14R1.918 Cc1ccc(cc1C(=O)CCCF)Cl 1458a_100000692595_100011934791 [0,2,0,0,0,0|2,0,0]=4 9983 B14R1.918 Cc1ccc(cc1C(=O)CCCF)F 1458a_100000240043_100011934791 [0,2,0,0,0,0|2,0,0]=4 9984 B14R1.918 Cc1ccc(cc1C(=O)CCCF)I 1458a_100000688012_100011934791 [0,2,0,0,0,0|2,0,0]=4 9985 B14R1.918 Cc1ccc(cc1C(=O)CCCF)O 1458a_100000687834_100011934791 [0,2,0,0,0,0|2,0,0]=4 9986 B14R1.918 Cc1ccc(cc1C(=O)CCCO)Br 1458a_100000759961_100011215043 [0,2,0,0,0,0|2,0,0]=4 9987 B14R1.918 Cc1ccc(cc1C(=O)CCCO)Cl 1458a_100000692595_100011215043 [0,2,0,0,0,0|2,0,0]=4 9988 B14R1.918 Cc1ccc(cc1C(=O)CCCO)F 1458a_100000240043_100011215043 [0,2,0,0,0,0|2,0,0]=4 9989 B14R1.918 Cc1ccc(cc1C(=O)CCCO)I 1458a_100000688012_100011215043 [0,2,0,0,0,0|2,0,0]=4 9990 B14R1.918 Cc1ccc(cc1C(=O)CCCO)O 1458a_100000687834_100011215043 [0,2,0,0,0,0|2,0,0]=4 9991 B14R1.918 Cc1ccc(cc1C(=O)NCCF)Br 11a_100000724931_100000759961 [0,2,0,0,0,0|2,0,0]=4 9992 B14R1.918 Cc1ccc(cc1C(=O)NCCF)Br 1626a_100000724931_100000759961 [0,2,0,0,0,0|2,0,0]=4 9993 B14R1.918 Cc1ccc(cc1C(=O)NCCF)Br 240690a_100000724931_100000759961 [0,2,0,0,0,0|2,0,0]=4 9994 B14R1.918 Cc1ccc(cc1C(=O)NCCF)Br 527a_100000724931_100000759961 [0,2,0,0,0,0|2,0,0]=4 9995 B14R1.918 Cc1ccc(cc1C(=O)NCCF)Cl 11a_100000724931_100000692595 [0,2,0,0,0,0|2,0,0]=4 9996 B14R1.918 Cc1ccc(cc1C(=O)NCCF)Cl 1626a_100000724931_100000692595 [0,2,0,0,0,0|2,0,0]=4 9997 B14R1.918 Cc1ccc(cc1C(=O)NCCF)Cl 240690a_100000724931_100000692595 [0,2,0,0,0,0|2,0,0]=4 9998 B14R1.918 Cc1ccc(cc1C(=O)NCCF)Cl 527a_100000724931_100000692595 [0,2,0,0,0,0|2,0,0]=4 9999 B14R1.918 Cc1ccc(cc1C(=O)NCCF)F 11a_100000724931_100000240043 [0,2,0,0,0,0|2,0,0]=4 10000 B14R1.918 Cc1ccc(cc1C(=O)NCCF)F 1626a_100000724931_100000240043 [0,2,0,0,0,0|2,0,0]=4 10001 B14R1.918 Cc1ccc(cc1C(=O)NCCF)F 240690a_100000724931_100000240043 [0,2,0,0,0,0|2,0,0]=4 10002 B14R1.918 Cc1ccc(cc1C(=O)NCCF)F 527a_100000724931_100000240043 [0,2,0,0,0,0|2,0,0]=4 10003 B14R1.918 Cc1ccc(cc1C(=O)NCCF)I 11a_100000724931_100000688012 [0,2,0,0,0,0|2,0,0]=4 10004 B14R1.918 Cc1ccc(cc1C(=O)NCCF)I 1626a_100000724931_100000688012 [0,2,0,0,0,0|2,0,0]=4 10005 B14R1.918 Cc1ccc(cc1C(=O)NCCF)I 240690a_100000724931_100000688012 [0,2,0,0,0,0|2,0,0]=4 10006 B14R1.918 Cc1ccc(cc1C(=O)NCCF)I 527a_100000724931_100000688012 [0,2,0,0,0,0|2,0,0]=4 10007 B14R1.918 Cc1ccc(cc1C(=O)NCCF)O 240690a_100000724931_100000687834 [0,2,0,0,0,0|2,0,0]=4 10008 B14R1.918 Cc1ccc(cc1C(=O)NCCO)Br 240690a_100000210304_100000759961 [0,2,0,0,0,0|2,0,0]=4 10009 B14R1.918 Cc1ccc(cc1C(=O)NCCO)Br 527a_100000210304_100000759961 [0,2,0,0,0,0|2,0,0]=4 10010 B14R1.918 Cc1ccc(cc1C(=O)NCCO)Cl 240690a_100000210304_100000692595 [0,2,0,0,0,0|2,0,0]=4 10011 B14R1.918 Cc1ccc(cc1C(=O)NCCO)Cl 527a_100000210304_100000692595 [0,2,0,0,0,0|2,0,0]=4 10012 B14R1.918 Cc1ccc(cc1C(=O)NCCO)F 240690a_100000210304_100000240043 [0,2,0,0,0,0|2,0,0]=4 10013 B14R1.918 Cc1ccc(cc1C(=O)NCCO)F 527a_100000210304_100000240043 [0,2,0,0,0,0|2,0,0]=4 10014 B14R1.918 Cc1ccc(cc1C(=O)NCCO)I 240690a_100000210304_100000688012 [0,2,0,0,0,0|2,0,0]=4 10015 B14R1.918 Cc1ccc(cc1C(=O)NCCO)I 527a_100000210304_100000688012 [0,2,0,0,0,0|2,0,0]=4 10016 B14R1.918 Cc1ccc(cc1C(=O)NCCO)O 240690a_100000210304_100000687834 [0,2,0,0,0,0|2,0,0]=4 10017 B14R1.918 O=C(CCCF)c1cc(ccc1Br)Br 1458a_100000690610_100011934791 [0,2,0,0,0,0|2,0,0]=4 10018 B14R1.918 O=C(CCCF)c1cc(ccc1Br)Cl 1458a_100000736951_100011934791 [0,2,0,0,0,0|2,0,0]=4 10019 B14R1.918 O=C(CCCF)c1cc(ccc1Br)F 1458a_100000212315_100011934791 [0,2,0,0,0,0|2,0,0]=4 10020 B14R1.918 O=C(CCCF)c1cc(ccc1Br)I 1458a_100000698340_100011934791 [0,2,0,0,0,0|2,0,0]=4 10021 B14R1.918 O=C(CCCF)c1cc(ccc1Br)O 1458a_100012352043_100011934791 [0,2,0,0,0,0|2,0,0]=4 10022 B14R1.918 O=C(CCCF)c1cc(ccc1Cl)Br 1458a_100000211212_100011934791 [0,2,0,0,0,0|2,0,0]=4 10023 B14R1.918 O=C(CCCF)c1cc(ccc1Cl)Cl 1458a_100000210642_100011934791 [0,2,0,0,0,0|2,0,0]=4 10024 B14R1.918 O=C(CCCF)c1cc(ccc1Cl)F 1458a_100011219680_100011934791 [0,2,0,0,0,0|2,0,0]=4 10025 B14R1.918 O=C(CCCF)c1cc(ccc1Cl)I 1458a_100000688013_100011934791 [0,2,0,0,0,0|2,0,0]=4 10026 B14R1.918 O=C(CCCF)c1cc(ccc1Cl)O 1458a_100000719527_100011934791 [0,2,0,0,0,0|2,0,0]=4 10027 B14R1.918 O=C(CCCF)c1cc(ccc1F)Br 1458a_100000212322_100011934791 [0,2,0,0,0,0|2,0,0]=4 10028 B14R1.918 O=C(CCCF)c1cc(ccc1F)Cl 1458a_100000214954_100011934791 [0,2,0,0,0,0|2,0,0]=4 10029 B14R1.918 O=C(CCCF)c1cc(ccc1F)F 1458a_100000198512_100011934791 [0,2,0,0,0,0|2,0,0]=4 10030 B14R1.918 O=C(CCCF)c1cc(ccc1F)I 1458a_100000688014_100011934791 [0,2,0,0,0,0|2,0,0]=4 10031 B14R1.918 O=C(CCCF)c1cc(ccc1F)O 1458a_100000037260_100011934791 [0,2,0,0,0,0|2,0,0]=4 10032 B14R1.918 O=C(CCCF)c1cc(ccc1I)Br 1458a_100000183945_100011934791 [0,2,0,0,0,0|2,0,0]=4 10033 B14R1.918 O=C(CCCF)c1cc(ccc1I)Cl 1458a_100000739379_100011934791 [0,2,0,0,0,0|2,0,0]=4 10034 B14R1.918 O=C(CCCF)c1cc(ccc1I)F 1458a_100000748905_100011934791 [0,2,0,0,0,0|2,0,0]=4 10035 B14R1.918 O=C(CCCF)c1cc(ccc1I)I 1458a_100000750460_100011934791 [0,2,0,0,0,0|2,0,0]=4 10036 B14R1.918 O=C(CCCF)c1cc(ccc1I)O 1458a_200009995701_100011934791 [0,2,0,0,0,0|2,0,0]=4 10037 B14R1.918 O=C(CCCF)c1cc(ccc1O)Br 1458a_100000212140_100011934791 [0,2,0,0,0,0|2,0,0]=4 10038 B14R1.918 O=C(CCCF)c1cc(ccc1O)Cl 1458a_100000212143_100011934791 [0,2,0,0,0,0|2,0,0]=4 10039 B14R1.918 O=C(CCCF)c1cc(ccc1O)F 1458a_100000742286_100011934791 [0,2,0,0,0,0|2,0,0]=4 10040 B14R1.918 O=C(CCCF)c1cc(ccc1O)I 1458a_100000212111_100011934791 [0,2,0,0,0,0|2,0,0]=4 10041 B14R1.918 O=C(CCCF)c1cc(ccc1O)O 1458a_100000758025_100011934791 [0,2,0,0,0,0|2,0,0]=4 10042 B14R1.918 O=C(CCCO)c1cc(ccc1Br)Br 1458a_100000690610_100011215043 [0,2,0,0,0,0|2,0,0]=4 10043 B14R1.918 O=C(CCCO)c1cc(ccc1Br)Cl 1458a_100000736951_100011215043 [0,2,0,0,0,0|2,0,0]=4 10044 B14R1.918 O=C(CCCO)c1cc(ccc1Br)F 1458a_100000212315_100011215043 [0,2,0,0,0,0|2,0,0]=4 10045 B14R1.918 O=C(CCCO)c1cc(ccc1Br)I 1458a_100000698340_100011215043 [0,2,0,0,0,0|2,0,0]=4 10046 B14R1.918 O=C(CCCO)c1cc(ccc1Br)O 1458a_100012352043_100011215043 [0,2,0,0,0,0|2,0,0]=4 10047 B14R1.918 O=C(CCCO)c1cc(ccc1Cl)Br 1458a_100000211212_100011215043 [0,2,0,0,0,0|2,0,0]=4 10048 B14R1.918 O=C(CCCO)c1cc(ccc1Cl)Cl 1458a_100000210642_100011215043 [0,2,0,0,0,0|2,0,0]=4 10049 B14R1.918 O=C(CCCO)c1cc(ccc1Cl)F 1458a_100011219680_100011215043 [0,2,0,0,0,0|2,0,0]=4 10050 B14R1.918 O=C(CCCO)c1cc(ccc1Cl)I 1458a_100000688013_100011215043 [0,2,0,0,0,0|2,0,0]=4 10051 B14R1.918 O=C(CCCO)c1cc(ccc1Cl)O 1458a_100000719527_100011215043 [0,2,0,0,0,0|2,0,0]=4 10052 B14R1.918 O=C(CCCO)c1cc(ccc1F)Br 1458a_100000212322_100011215043 [0,2,0,0,0,0|2,0,0]=4 10053 B14R1.918 O=C(CCCO)c1cc(ccc1F)Cl 1458a_100000214954_100011215043 [0,2,0,0,0,0|2,0,0]=4 10054 B14R1.918 O=C(CCCO)c1cc(ccc1F)F 1458a_100000198512_100011215043 [0,2,0,0,0,0|2,0,0]=4 10055 B14R1.918 O=C(CCCO)c1cc(ccc1F)I 1458a_100000688014_100011215043 [0,2,0,0,0,0|2,0,0]=4 10056 B14R1.918 O=C(CCCO)c1cc(ccc1F)O 1458a_100000037260_100011215043 [0,2,0,0,0,0|2,0,0]=4 10057 B14R1.918 O=C(CCCO)c1cc(ccc1I)Br 1458a_100000183945_100011215043 [0,2,0,0,0,0|2,0,0]=4 10058 B14R1.918 O=C(CCCO)c1cc(ccc1I)Cl 1458a_100000739379_100011215043 [0,2,0,0,0,0|2,0,0]=4 10059 B14R1.918 O=C(CCCO)c1cc(ccc1I)F 1458a_100000748905_100011215043 [0,2,0,0,0,0|2,0,0]=4 10060 B14R1.918 O=C(CCCO)c1cc(ccc1I)I 1458a_100000750460_100011215043 [0,2,0,0,0,0|2,0,0]=4 10061 B14R1.918 O=C(CCCO)c1cc(ccc1I)O 1458a_200009995701_100011215043 [0,2,0,0,0,0|2,0,0]=4 10062 B14R1.918 O=C(CCCO)c1cc(ccc1O)Br 1458a_100000212140_100011215043 [0,2,0,0,0,0|2,0,0]=4 10063 B14R1.918 O=C(CCCO)c1cc(ccc1O)Cl 1458a_100000212143_100011215043 [0,2,0,0,0,0|2,0,0]=4 10064 B14R1.918 O=C(CCCO)c1cc(ccc1O)F 1458a_100000742286_100011215043 [0,2,0,0,0,0|2,0,0]=4 10065 B14R1.918 O=C(CCCO)c1cc(ccc1O)I 1458a_100000212111_100011215043 [0,2,0,0,0,0|2,0,0]=4 10066 B14R1.918 O=C(CCCO)c1cc(ccc1O)O 1458a_100000758025_100011215043 [0,2,0,0,0,0|2,0,0]=4 10067 B14R1.918 O=C(NCCF)c1cc(ccc1Br)Br 11a_100000724931_100000690610 [0,2,0,0,0,0|2,0,0]=4 10068 B14R1.918 O=C(NCCF)c1cc(ccc1Br)Br 1626a_100000724931_100000690610 [0,2,0,0,0,0|2,0,0]=4 10069 B14R1.918 O=C(NCCF)c1cc(ccc1Br)Br 240690a_100000724931_100000690610 [0,2,0,0,0,0|2,0,0]=4 10070 B14R1.918 O=C(NCCF)c1cc(ccc1Br)Br 527a_100000724931_100000690610 [0,2,0,0,0,0|2,0,0]=4 10071 B14R1.918 O=C(NCCF)c1cc(ccc1Br)Cl 11a_100000724931_100000736951 [0,2,0,0,0,0|2,0,0]=4 10072 B14R1.918 O=C(NCCF)c1cc(ccc1Br)Cl 1626a_100000724931_100000736951 [0,2,0,0,0,0|2,0,0]=4 10073 B14R1.918 O=C(NCCF)c1cc(ccc1Br)Cl 240690a_100000724931_100000736951 [0,2,0,0,0,0|2,0,0]=4 10074 B14R1.918 O=C(NCCF)c1cc(ccc1Br)Cl 527a_100000724931_100000736951 [0,2,0,0,0,0|2,0,0]=4 10075 B14R1.918 O=C(NCCF)c1cc(ccc1Br)F 11a_100000724931_100000212315 [0,2,0,0,0,0|2,0,0]=4 10076 B14R1.918 O=C(NCCF)c1cc(ccc1Br)F 1626a_100000724931_100000212315 [0,2,0,0,0,0|2,0,0]=4 10077 B14R1.918 O=C(NCCF)c1cc(ccc1Br)F 240690a_100000724931_100000212315 [0,2,0,0,0,0|2,0,0]=4 10078 B14R1.918 O=C(NCCF)c1cc(ccc1Br)F 527a_100000724931_100000212315 [0,2,0,0,0,0|2,0,0]=4 10079 B14R1.918 O=C(NCCF)c1cc(ccc1Br)I 11a_100000724931_100000698340 [0,2,0,0,0,0|2,0,0]=4 10080 B14R1.918 O=C(NCCF)c1cc(ccc1Br)I 1626a_100000724931_100000698340 [0,2,0,0,0,0|2,0,0]=4 10081 B14R1.918 O=C(NCCF)c1cc(ccc1Br)I 240690a_100000724931_100000698340 [0,2,0,0,0,0|2,0,0]=4 10082 B14R1.918 O=C(NCCF)c1cc(ccc1Br)I 527a_100000724931_100000698340 [0,2,0,0,0,0|2,0,0]=4 10083 B14R1.918 O=C(NCCF)c1cc(ccc1Br)O 240690a_100000724931_100012352043 [0,2,0,0,0,0|2,0,0]=4 10084 B14R1.918 O=C(NCCF)c1cc(ccc1Br)O 527a_100000724931_100012352043 [0,2,0,0,0,0|2,0,0]=4 10085 B14R1.918 O=C(NCCF)c1cc(ccc1Cl)Br 11a_100000724931_100000211212 [0,2,0,0,0,0|2,0,0]=4 10086 B14R1.918 O=C(NCCF)c1cc(ccc1Cl)Br 1626a_100000724931_100000211212 [0,2,0,0,0,0|2,0,0]=4 10087 B14R1.918 O=C(NCCF)c1cc(ccc1Cl)Br 240690a_100000724931_100000211212 [0,2,0,0,0,0|2,0,0]=4 10088 B14R1.918 O=C(NCCF)c1cc(ccc1Cl)Br 527a_100000724931_100000211212 [0,2,0,0,0,0|2,0,0]=4 10089 B14R1.918 O=C(NCCF)c1cc(ccc1Cl)Cl 11a_100000724931_100000210642 [0,2,0,0,0,0|2,0,0]=4 10090 B14R1.918 O=C(NCCF)c1cc(ccc1Cl)Cl 1626a_100000724931_100000210642 [0,2,0,0,0,0|2,0,0]=4 10091 B14R1.918 O=C(NCCF)c1cc(ccc1Cl)Cl 240690a_100000724931_100000210642 [0,2,0,0,0,0|2,0,0]=4 10092 B14R1.918 O=C(NCCF)c1cc(ccc1Cl)Cl 527a_100000724931_100000210642 [0,2,0,0,0,0|2,0,0]=4 10093 B14R1.918 O=C(NCCF)c1cc(ccc1Cl)F 11a_100000724931_100011219680 [0,2,0,0,0,0|2,0,0]=4 10094 B14R1.918 O=C(NCCF)c1cc(ccc1Cl)F 1626a_100000724931_100011219680 [0,2,0,0,0,0|2,0,0]=4 10095 B14R1.918 O=C(NCCF)c1cc(ccc1Cl)F 240690a_100000724931_100011219680 [0,2,0,0,0,0|2,0,0]=4 10096 B14R1.918 O=C(NCCF)c1cc(ccc1Cl)F 527a_100000724931_100011219680 [0,2,0,0,0,0|2,0,0]=4 10097 B14R1.918 O=C(NCCF)c1cc(ccc1Cl)I 11a_100000724931_100000688013 [0,2,0,0,0,0|2,0,0]=4 10098 B14R1.918 O=C(NCCF)c1cc(ccc1Cl)I 1626a_100000724931_100000688013 [0,2,0,0,0,0|2,0,0]=4 10099 B14R1.918 O=C(NCCF)c1cc(ccc1Cl)I 240690a_100000724931_100000688013 [0,2,0,0,0,0|2,0,0]=4 10100 B14R1.918 O=C(NCCF)c1cc(ccc1Cl)I 527a_100000724931_100000688013 [0,2,0,0,0,0|2,0,0]=4 10101 B14R1.918 O=C(NCCF)c1cc(ccc1Cl)O 240690a_100000724931_100000719527 [0,2,0,0,0,0|2,0,0]=4 10102 B14R1.918 O=C(NCCF)c1cc(ccc1Cl)O 527a_100000724931_100000719527 [0,2,0,0,0,0|2,0,0]=4 10103 B14R1.918 O=C(NCCF)c1cc(ccc1F)Br 11a_100000724931_100000212322 [0,2,0,0,0,0|2,0,0]=4 10104 B14R1.918 O=C(NCCF)c1cc(ccc1F)Br 1626a_100000724931_100000212322 [0,2,0,0,0,0|2,0,0]=4 10105 B14R1.918 O=C(NCCF)c1cc(ccc1F)Br 240690a_100000724931_100000212322 [0,2,0,0,0,0|2,0,0]=4 10106 B14R1.918 O=C(NCCF)c1cc(ccc1F)Br 527a_100000724931_100000212322 [0,2,0,0,0,0|2,0,0]=4 10107 B14R1.918 O=C(NCCF)c1cc(ccc1F)Cl 11a_100000724931_100000214954 [0,2,0,0,0,0|2,0,0]=4 10108 B14R1.918 O=C(NCCF)c1cc(ccc1F)Cl 1626a_100000724931_100000214954 [0,2,0,0,0,0|2,0,0]=4 10109 B14R1.918 O=C(NCCF)c1cc(ccc1F)Cl 240690a_100000724931_100000214954 [0,2,0,0,0,0|2,0,0]=4 10110 B14R1.918 O=C(NCCF)c1cc(ccc1F)Cl 527a_100000724931_100000214954 [0,2,0,0,0,0|2,0,0]=4 10111 B14R1.918 O=C(NCCF)c1cc(ccc1F)F 11a_100000724931_100000198512 [0,2,0,0,0,0|2,0,0]=4 10112 B14R1.918 O=C(NCCF)c1cc(ccc1F)F 1626a_100000724931_100000198512 [0,2,0,0,0,0|2,0,0]=4 10113 B14R1.918 O=C(NCCF)c1cc(ccc1F)F 240690a_100000724931_100000198512 [0,2,0,0,0,0|2,0,0]=4 10114 B14R1.918 O=C(NCCF)c1cc(ccc1F)F 527a_100000724931_100000198512 [0,2,0,0,0,0|2,0,0]=4 10115 B14R1.918 O=C(NCCF)c1cc(ccc1F)I 11a_100000724931_100000688014 [0,2,0,0,0,0|2,0,0]=4 10116 B14R1.918 O=C(NCCF)c1cc(ccc1F)I 1626a_100000724931_100000688014 [0,2,0,0,0,0|2,0,0]=4 10117 B14R1.918 O=C(NCCF)c1cc(ccc1F)I 240690a_100000724931_100000688014 [0,2,0,0,0,0|2,0,0]=4 10118 B14R1.918 O=C(NCCF)c1cc(ccc1F)I 527a_100000724931_100000688014 [0,2,0,0,0,0|2,0,0]=4 10119 B14R1.918 O=C(NCCF)c1cc(ccc1F)O 240690a_100000724931_100000037260 [0,2,0,0,0,0|2,0,0]=4 10120 B14R1.918 O=C(NCCF)c1cc(ccc1F)O 527a_100000724931_100000037260 [0,2,0,0,0,0|2,0,0]=4 10121 B14R1.918 O=C(NCCF)c1cc(ccc1I)Br 11a_100000724931_100000183945 [0,2,0,0,0,0|2,0,0]=4 10122 B14R1.918 O=C(NCCF)c1cc(ccc1I)Br 1626a_100000724931_100000183945 [0,2,0,0,0,0|2,0,0]=4 10123 B14R1.918 O=C(NCCF)c1cc(ccc1I)Br 240690a_100000724931_100000183945 [0,2,0,0,0,0|2,0,0]=4 10124 B14R1.918 O=C(NCCF)c1cc(ccc1I)Cl 11a_100000724931_100000739379 [0,2,0,0,0,0|2,0,0]=4 10125 B14R1.918 O=C(NCCF)c1cc(ccc1I)Cl 1626a_100000724931_100000739379 [0,2,0,0,0,0|2,0,0]=4 10126 B14R1.918 O=C(NCCF)c1cc(ccc1I)Cl 240690a_100000724931_100000739379 [0,2,0,0,0,0|2,0,0]=4 10127 B14R1.918 O=C(NCCF)c1cc(ccc1I)Cl 527a_100000724931_100000739379 [0,2,0,0,0,0|2,0,0]=4 10128 B14R1.918 O=C(NCCF)c1cc(ccc1I)F 11a_100000724931_100000748905 [0,2,0,0,0,0|2,0,0]=4 10129 B14R1.918 O=C(NCCF)c1cc(ccc1I)F 1626a_100000724931_100000748905 [0,2,0,0,0,0|2,0,0]=4 10130 B14R1.918 O=C(NCCF)c1cc(ccc1I)F 240690a_100000724931_100000748905 [0,2,0,0,0,0|2,0,0]=4 10131 B14R1.918 O=C(NCCF)c1cc(ccc1I)F 527a_100000724931_100000748905 [0,2,0,0,0,0|2,0,0]=4 10132 B14R1.918 O=C(NCCF)c1cc(ccc1I)I 11a_100000724931_100000750460 [0,2,0,0,0,0|2,0,0]=4 10133 B14R1.918 O=C(NCCF)c1cc(ccc1I)I 1626a_100000724931_100000750460 [0,2,0,0,0,0|2,0,0]=4 10134 B14R1.918 O=C(NCCF)c1cc(ccc1I)I 240690a_100000724931_100000750460 [0,2,0,0,0,0|2,0,0]=4 10135 B14R1.918 O=C(NCCF)c1cc(ccc1I)I 527a_100000724931_100000750460 [0,2,0,0,0,0|2,0,0]=4 10136 B14R1.918 O=C(NCCF)c1cc(ccc1I)O 1626a_100000724931_200009995701 [0,2,0,0,0,0|2,0,0]=4 10137 B14R1.918 O=C(NCCF)c1cc(ccc1I)O 240690a_100000724931_200009995701 [0,2,0,0,0,0|2,0,0]=4 10138 B14R1.918 O=C(NCCF)c1cc(ccc1I)O 527a_100000724931_200009995701 [0,2,0,0,0,0|2,0,0]=4 10139 B14R1.918 O=C(NCCF)c1cc(ccc1O)Br 1626a_100000724931_100000212140 [0,2,0,0,0,0|2,0,0]=4 10140 B14R1.918 O=C(NCCF)c1cc(ccc1O)Br 240690a_100000724931_100000212140 [0,2,0,0,0,0|2,0,0]=4 10141 B14R1.918 O=C(NCCF)c1cc(ccc1O)Br 527a_100000724931_100000212140 [0,2,0,0,0,0|2,0,0]=4 10142 B14R1.918 O=C(NCCF)c1cc(ccc1O)Cl 11a_100000724931_100000212143 [0,2,0,0,0,0|2,0,0]=4 10143 B14R1.918 O=C(NCCF)c1cc(ccc1O)Cl 1626a_100000724931_100000212143 [0,2,0,0,0,0|2,0,0]=4 10144 B14R1.918 O=C(NCCF)c1cc(ccc1O)Cl 240690a_100000724931_100000212143 [0,2,0,0,0,0|2,0,0]=4 10145 B14R1.918 O=C(NCCF)c1cc(ccc1O)Cl 527a_100000724931_100000212143 [0,2,0,0,0,0|2,0,0]=4 10146 B14R1.918 O=C(NCCF)c1cc(ccc1O)F 240690a_100000724931_100000742286 [0,2,0,0,0,0|2,0,0]=4 10147 B14R1.918 O=C(NCCF)c1cc(ccc1O)F 527a_100000724931_100000742286 [0,2,0,0,0,0|2,0,0]=4 10148 B14R1.918 O=C(NCCF)c1cc(ccc1O)I 240690a_100000724931_100000212111 [0,2,0,0,0,0|2,0,0]=4 10149 B14R1.918 O=C(NCCF)c1cc(ccc1O)I 527a_100000724931_100000212111 [0,2,0,0,0,0|2,0,0]=4 10150 B14R1.918 O=C(NCCO)c1cc(ccc1Br)Br 240690a_100000210304_100000690610 [0,2,0,0,0,0|2,0,0]=4 10151 B14R1.918 O=C(NCCO)c1cc(ccc1Br)Br 527a_100000210304_100000690610 [0,2,0,0,0,0|2,0,0]=4 10152 B14R1.918 O=C(NCCO)c1cc(ccc1Br)Cl 240690a_100000210304_100000736951 [0,2,0,0,0,0|2,0,0]=4 10153 B14R1.918 O=C(NCCO)c1cc(ccc1Br)Cl 527a_100000210304_100000736951 [0,2,0,0,0,0|2,0,0]=4 10154 B14R1.918 O=C(NCCO)c1cc(ccc1Br)F 240690a_100000210304_100000212315 [0,2,0,0,0,0|2,0,0]=4 10155 B14R1.918 O=C(NCCO)c1cc(ccc1Br)F 527a_100000210304_100000212315 [0,2,0,0,0,0|2,0,0]=4 10156 B14R1.918 O=C(NCCO)c1cc(ccc1Br)I 240690a_100000210304_100000698340 [0,2,0,0,0,0|2,0,0]=4 10157 B14R1.918 O=C(NCCO)c1cc(ccc1Br)I 527a_100000210304_100000698340 [0,2,0,0,0,0|2,0,0]=4 10158 B14R1.918 O=C(NCCO)c1cc(ccc1Br)O 240690a_100000210304_100012352043 [0,2,0,0,0,0|2,0,0]=4 10159 B14R1.918 O=C(NCCO)c1cc(ccc1Br)O 527a_100000210304_100012352043 [0,2,0,0,0,0|2,0,0]=4 10160 B14R1.918 O=C(NCCO)c1cc(ccc1Cl)Br 240690a_100000210304_100000211212 [0,2,0,0,0,0|2,0,0]=4 10161 B14R1.918 O=C(NCCO)c1cc(ccc1Cl)Br 527a_100000210304_100000211212 [0,2,0,0,0,0|2,0,0]=4 10162 B14R1.918 O=C(NCCO)c1cc(ccc1Cl)Cl 240690a_100000210304_100000210642 [0,2,0,0,0,0|2,0,0]=4 10163 B14R1.918 O=C(NCCO)c1cc(ccc1Cl)Cl 527a_100000210304_100000210642 [0,2,0,0,0,0|2,0,0]=4 10164 B14R1.918 O=C(NCCO)c1cc(ccc1Cl)F 240690a_100000210304_100011219680 [0,2,0,0,0,0|2,0,0]=4 10165 B14R1.918 O=C(NCCO)c1cc(ccc1Cl)F 527a_100000210304_100011219680 [0,2,0,0,0,0|2,0,0]=4 10166 B14R1.918 O=C(NCCO)c1cc(ccc1Cl)I 240690a_100000210304_100000688013 [0,2,0,0,0,0|2,0,0]=4 10167 B14R1.918 O=C(NCCO)c1cc(ccc1Cl)I 527a_100000210304_100000688013 [0,2,0,0,0,0|2,0,0]=4 10168 B14R1.918 O=C(NCCO)c1cc(ccc1Cl)O 240690a_100000210304_100000719527 [0,2,0,0,0,0|2,0,0]=4 10169 B14R1.918 O=C(NCCO)c1cc(ccc1Cl)O 527a_100000210304_100000719527 [0,2,0,0,0,0|2,0,0]=4 10170 B14R1.918 O=C(NCCO)c1cc(ccc1F)Br 240690a_100000210304_100000212322 [0,2,0,0,0,0|2,0,0]=4 10171 B14R1.918 O=C(NCCO)c1cc(ccc1F)Br 527a_100000210304_100000212322 [0,2,0,0,0,0|2,0,0]=4 10172 B14R1.918 O=C(NCCO)c1cc(ccc1F)Cl 240690a_100000210304_100000214954 [0,2,0,0,0,0|2,0,0]=4 10173 B14R1.918 O=C(NCCO)c1cc(ccc1F)Cl 527a_100000210304_100000214954 [0,2,0,0,0,0|2,0,0]=4 10174 B14R1.918 O=C(NCCO)c1cc(ccc1F)F 240690a_100000210304_100000198512 [0,2,0,0,0,0|2,0,0]=4 10175 B14R1.918 O=C(NCCO)c1cc(ccc1F)F 527a_100000210304_100000198512 [0,2,0,0,0,0|2,0,0]=4 10176 B14R1.918 O=C(NCCO)c1cc(ccc1F)I 240690a_100000210304_100000688014 [0,2,0,0,0,0|2,0,0]=4 10177 B14R1.918 O=C(NCCO)c1cc(ccc1F)I 527a_100000210304_100000688014 [0,2,0,0,0,0|2,0,0]=4 10178 B14R1.918 O=C(NCCO)c1cc(ccc1F)O 240690a_100000210304_100000037260 [0,2,0,0,0,0|2,0,0]=4 10179 B14R1.918 O=C(NCCO)c1cc(ccc1F)O 527a_100000210304_100000037260 [0,2,0,0,0,0|2,0,0]=4 10180 B14R1.918 O=C(NCCO)c1cc(ccc1I)Br 240690a_100000210304_100000183945 [0,2,0,0,0,0|2,0,0]=4 10181 B14R1.918 O=C(NCCO)c1cc(ccc1I)Cl 240690a_100000210304_100000739379 [0,2,0,0,0,0|2,0,0]=4 10182 B14R1.918 O=C(NCCO)c1cc(ccc1I)Cl 527a_100000210304_100000739379 [0,2,0,0,0,0|2,0,0]=4 10183 B14R1.918 O=C(NCCO)c1cc(ccc1I)F 240690a_100000210304_100000748905 [0,2,0,0,0,0|2,0,0]=4 10184 B14R1.918 O=C(NCCO)c1cc(ccc1I)F 527a_100000210304_100000748905 [0,2,0,0,0,0|2,0,0]=4 10185 B14R1.918 O=C(NCCO)c1cc(ccc1I)I 240690a_100000210304_100000750460 [0,2,0,0,0,0|2,0,0]=4 10186 B14R1.918 O=C(NCCO)c1cc(ccc1I)I 527a_100000210304_100000750460 [0,2,0,0,0,0|2,0,0]=4 10187 B14R1.918 O=C(NCCO)c1cc(ccc1I)O 240690a_100000210304_200009995701 [0,2,0,0,0,0|2,0,0]=4 10188 B14R1.918 O=C(NCCO)c1cc(ccc1I)O 527a_100000210304_200009995701 [0,2,0,0,0,0|2,0,0]=4 10189 B14R1.918 O=C(NCCO)c1cc(ccc1O)Br 240690a_100000210304_100000212140 [0,2,0,0,0,0|2,0,0]=4 10190 B14R1.918 O=C(NCCO)c1cc(ccc1O)Br 527a_100000210304_100000212140 [0,2,0,0,0,0|2,0,0]=4 10191 B14R1.918 O=C(NCCO)c1cc(ccc1O)Cl 240690a_100000210304_100000212143 [0,2,0,0,0,0|2,0,0]=4 10192 B14R1.918 O=C(NCCO)c1cc(ccc1O)Cl 527a_100000210304_100000212143 [0,2,0,0,0,0|2,0,0]=4 10193 B14R1.918 O=C(NCCO)c1cc(ccc1O)F 240690a_100000210304_100000742286 [0,2,0,0,0,0|2,0,0]=4 10194 B14R1.918 O=C(NCCO)c1cc(ccc1O)F 271570a_203496583355_200000206141 [0,2,0,0,0,0|2,0,0]=4 10195 B14R1.918 O=C(NCCO)c1cc(ccc1O)F 527a_100000210304_100000742286 [0,2,0,0,0,0|2,0,0]=4 10196 B14R1.918 O=C(NCCO)c1cc(ccc1O)I 240690a_100000210304_100000212111 [0,2,0,0,0,0|2,0,0]=4 10197 B14R1.918 O=C(NCCO)c1cc(ccc1O)I 527a_100000210304_100000212111 [0,2,0,0,0,0|2,0,0]=4 10198 B14R1.923 CCCCC(=O)c1cc(cc(c1)Br)Br 1458a_100000687083_100000210211 [0,2,0,0,0,0|1,0,0]=3 10199 B14R1.923 CCCCC(=O)c1cc(cc(c1)Br)C 1458a_100000760426_100000210211 [0,2,0,0,0,0|1,0,0]=3 10200 B14R1.923 CCCCC(=O)c1cc(cc(c1)Br)Cl 1458a_100000687899_100000210211 [0,2,0,0,0,0|1,0,0]=3 10201 B14R1.923 CCCCC(=O)c1cc(cc(c1)Br)F 1458a_100000739618_100000210211 [0,2,0,0,0,0|1,0,0]=3 10202 B14R1.923 CCCCC(=O)c1cc(cc(c1)Br)O 1458a_100011934545_100000210211 [0,2,0,0,0,0|1,0,0]=3 10203 B14R1.923 CCCCC(=O)c1cc(cc(c1)C)C 1458a_100000210874_100000210211 [0,2,0,0,0,0|1,0,0]=3 10204 B14R1.923 CCCCC(=O)c1cc(cc(c1)Cl)C 1458a_100000684526_100000210211 [0,2,0,0,0,0|1,0,0]=3 10205 B14R1.923 CCCCC(=O)c1cc(cc(c1)Cl)Cl 1458a_100000210701_100000210211 [0,2,0,0,0,0|1,0,0]=3 10206 B14R1.923 CCCCC(=O)c1cc(cc(c1)Cl)F 1458a_100000685768_100000210211 [0,2,0,0,0,0|1,0,0]=3 10207 B14R1.923 CCCCC(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_100000210211 [0,2,0,0,0,0|1,0,0]=3 10208 B14R1.923 CCCCC(=O)c1cc(cc(c1)F)C 1458a_100000763163_100000210211 [0,2,0,0,0,0|1,0,0]=3 10209 B14R1.923 CCCCC(=O)c1cc(cc(c1)F)F 1458a_100000211655_100000210211 [0,2,0,0,0,0|1,0,0]=3 10210 B14R1.923 CCCCC(=O)c1cc(cc(c1)F)O 1458a_100012017291_100000210211 [0,2,0,0,0,0|1,0,0]=3 10211 B14R1.923 CCCCC(=O)c1cc(cc(c1)I)Br 1458a_100000689235_100000210211 [0,2,0,0,0,0|1,0,0]=3 10212 B14R1.923 CCCCC(=O)c1cc(cc(c1)I)C 1458a_100000729426_100000210211 [0,2,0,0,0,0|1,0,0]=3 10213 B14R1.923 CCCCC(=O)c1cc(cc(c1)I)Cl 1458a_100012047205_100000210211 [0,2,0,0,0,0|1,0,0]=3 10214 B14R1.923 CCCCC(=O)c1cc(cc(c1)I)F 1458a_100012047268_100000210211 [0,2,0,0,0,0|1,0,0]=3 10215 B14R1.923 CCCCC(=O)c1cc(cc(c1)I)I 1458a_100011204819_100000210211 [0,2,0,0,0,0|1,0,0]=3 10216 B14R1.923 CCCCC(=O)c1cc(cc(c1)O)C 1458a_100000094094_100000210211 [0,2,0,0,0,0|1,0,0]=3 10217 B14R1.923 CCCNC(=O)c1cc(cc(c1)Br)Br 11a_100020643023_100000687083 [0,2,0,0,0,0|1,0,0]=3 10218 B14R1.923 CCCNC(=O)c1cc(cc(c1)Br)Br 1626a_100020643023_100000687083 [0,2,0,0,0,0|1,0,0]=3 10219 B14R1.923 CCCNC(=O)c1cc(cc(c1)Br)Br 240690a_100020643023_100000687083 [0,2,0,0,0,0|1,0,0]=3 10220 B14R1.923 CCCNC(=O)c1cc(cc(c1)Br)Br 527a_100020643023_100000687083 [0,2,0,0,0,0|1,0,0]=3 10221 B14R1.923 CCCNC(=O)c1cc(cc(c1)Br)C 11a_100020643023_100000760426 [0,2,0,0,0,0|1,0,0]=3 10222 B14R1.923 CCCNC(=O)c1cc(cc(c1)Br)C 1626a_100020643023_100000760426 [0,2,0,0,0,0|1,0,0]=3 10223 B14R1.923 CCCNC(=O)c1cc(cc(c1)Br)C 240690a_100020643023_100000760426 [0,2,0,0,0,0|1,0,0]=3 10224 B14R1.923 CCCNC(=O)c1cc(cc(c1)Br)C 527a_100020643023_100000760426 [0,2,0,0,0,0|1,0,0]=3 10225 B14R1.923 CCCNC(=O)c1cc(cc(c1)Br)Cl 11a_100020643023_100000687899 [0,2,0,0,0,0|1,0,0]=3 10226 B14R1.923 CCCNC(=O)c1cc(cc(c1)Br)Cl 1626a_100020643023_100000687899 [0,2,0,0,0,0|1,0,0]=3 10227 B14R1.923 CCCNC(=O)c1cc(cc(c1)Br)Cl 240690a_100020643023_100000687899 [0,2,0,0,0,0|1,0,0]=3 10228 B14R1.923 CCCNC(=O)c1cc(cc(c1)Br)Cl 527a_100020643023_100000687899 [0,2,0,0,0,0|1,0,0]=3 10229 B14R1.923 CCCNC(=O)c1cc(cc(c1)Br)F 11a_100020643023_100000739618 [0,2,0,0,0,0|1,0,0]=3 10230 B14R1.923 CCCNC(=O)c1cc(cc(c1)Br)F 1626a_100020643023_100000739618 [0,2,0,0,0,0|1,0,0]=3 10231 B14R1.923 CCCNC(=O)c1cc(cc(c1)Br)F 240690a_100020643023_100000739618 [0,2,0,0,0,0|1,0,0]=3 10232 B14R1.923 CCCNC(=O)c1cc(cc(c1)Br)F 527a_100020643023_100000739618 [0,2,0,0,0,0|1,0,0]=3 10233 B14R1.923 CCCNC(=O)c1cc(cc(c1)Br)O 240690a_100020643023_100011934545 [0,2,0,0,0,0|1,0,0]=3 10234 B14R1.923 CCCNC(=O)c1cc(cc(c1)Br)O 527a_100020643023_100011934545 [0,2,0,0,0,0|1,0,0]=3 10235 B14R1.923 CCCNC(=O)c1cc(cc(c1)C)C 11a_100020643023_100000210874 [0,2,0,0,0,0|1,0,0]=3 10236 B14R1.923 CCCNC(=O)c1cc(cc(c1)C)C 1626a_100020643023_100000210874 [0,2,0,0,0,0|1,0,0]=3 10237 B14R1.923 CCCNC(=O)c1cc(cc(c1)C)C 240690a_100020643023_100000210874 [0,2,0,0,0,0|1,0,0]=3 10238 B14R1.923 CCCNC(=O)c1cc(cc(c1)C)C 527a_100020643023_100000210874 [0,2,0,0,0,0|1,0,0]=3 10239 B14R1.923 CCCNC(=O)c1cc(cc(c1)Cl)C 11a_100020643023_100000684526 [0,2,0,0,0,0|1,0,0]=3 10240 B14R1.923 CCCNC(=O)c1cc(cc(c1)Cl)C 1626a_100020643023_100000684526 [0,2,0,0,0,0|1,0,0]=3 10241 B14R1.923 CCCNC(=O)c1cc(cc(c1)Cl)C 240690a_100020643023_100000684526 [0,2,0,0,0,0|1,0,0]=3 10242 B14R1.923 CCCNC(=O)c1cc(cc(c1)Cl)C 527a_100020643023_100000684526 [0,2,0,0,0,0|1,0,0]=3 10243 B14R1.923 CCCNC(=O)c1cc(cc(c1)Cl)Cl 11a_100020643023_100000210701 [0,2,0,0,0,0|1,0,0]=3 10244 B14R1.923 CCCNC(=O)c1cc(cc(c1)Cl)Cl 1626a_100020643023_100000210701 [0,2,0,0,0,0|1,0,0]=3 10245 B14R1.923 CCCNC(=O)c1cc(cc(c1)Cl)Cl 240690a_100020643023_100000210701 [0,2,0,0,0,0|1,0,0]=3 10246 B14R1.923 CCCNC(=O)c1cc(cc(c1)Cl)Cl 527a_100020643023_100000210701 [0,2,0,0,0,0|1,0,0]=3 10247 B14R1.923 CCCNC(=O)c1cc(cc(c1)Cl)F 11a_100020643023_100000685768 [0,2,0,0,0,0|1,0,0]=3 10248 B14R1.923 CCCNC(=O)c1cc(cc(c1)Cl)F 1626a_100020643023_100000685768 [0,2,0,0,0,0|1,0,0]=3 10249 B14R1.923 CCCNC(=O)c1cc(cc(c1)Cl)F 240690a_100020643023_100000685768 [0,2,0,0,0,0|1,0,0]=3 10250 B14R1.923 CCCNC(=O)c1cc(cc(c1)Cl)F 527a_100020643023_100000685768 [0,2,0,0,0,0|1,0,0]=3 10251 B14R1.923 CCCNC(=O)c1cc(cc(c1)Cl)O 240690a_100020643023_100011997059 [0,2,0,0,0,0|1,0,0]=3 10252 B14R1.923 CCCNC(=O)c1cc(cc(c1)Cl)O 527a_100020643023_100011997059 [0,2,0,0,0,0|1,0,0]=3 10253 B14R1.923 CCCNC(=O)c1cc(cc(c1)F)C 11a_100020643023_100000763163 [0,2,0,0,0,0|1,0,0]=3 10254 B14R1.923 CCCNC(=O)c1cc(cc(c1)F)C 1626a_100020643023_100000763163 [0,2,0,0,0,0|1,0,0]=3 10255 B14R1.923 CCCNC(=O)c1cc(cc(c1)F)C 240690a_100020643023_100000763163 [0,2,0,0,0,0|1,0,0]=3 10256 B14R1.923 CCCNC(=O)c1cc(cc(c1)F)C 527a_100020643023_100000763163 [0,2,0,0,0,0|1,0,0]=3 10257 B14R1.923 CCCNC(=O)c1cc(cc(c1)F)F 11a_100020643023_100000211655 [0,2,0,0,0,0|1,0,0]=3 10258 B14R1.923 CCCNC(=O)c1cc(cc(c1)F)F 1626a_100020643023_100000211655 [0,2,0,0,0,0|1,0,0]=3 10259 B14R1.923 CCCNC(=O)c1cc(cc(c1)F)F 240690a_100020643023_100000211655 [0,2,0,0,0,0|1,0,0]=3 10260 B14R1.923 CCCNC(=O)c1cc(cc(c1)F)F 527a_100020643023_100000211655 [0,2,0,0,0,0|1,0,0]=3 10261 B14R1.923 CCCNC(=O)c1cc(cc(c1)F)O 11a_100020643023_100012017291 [0,2,0,0,0,0|1,0,0]=3 10262 B14R1.923 CCCNC(=O)c1cc(cc(c1)F)O 240690a_100020643023_100012017291 [0,2,0,0,0,0|1,0,0]=3 10263 B14R1.923 CCCNC(=O)c1cc(cc(c1)F)O 527a_100020643023_100012017291 [0,2,0,0,0,0|1,0,0]=3 10264 B14R1.923 CCCNC(=O)c1cc(cc(c1)I)Br 11a_100020643023_100000689235 [0,2,0,0,0,0|1,0,0]=3 10265 B14R1.923 CCCNC(=O)c1cc(cc(c1)I)Br 1626a_100020643023_100000689235 [0,2,0,0,0,0|1,0,0]=3 10266 B14R1.923 CCCNC(=O)c1cc(cc(c1)I)Br 240690a_100020643023_100000689235 [0,2,0,0,0,0|1,0,0]=3 10267 B14R1.923 CCCNC(=O)c1cc(cc(c1)I)Br 527a_100020643023_100000689235 [0,2,0,0,0,0|1,0,0]=3 10268 B14R1.923 CCCNC(=O)c1cc(cc(c1)I)C 11a_100020643023_100000729426 [0,2,0,0,0,0|1,0,0]=3 10269 B14R1.923 CCCNC(=O)c1cc(cc(c1)I)C 1626a_100020643023_100000729426 [0,2,0,0,0,0|1,0,0]=3 10270 B14R1.923 CCCNC(=O)c1cc(cc(c1)I)C 240690a_100020643023_100000729426 [0,2,0,0,0,0|1,0,0]=3 10271 B14R1.923 CCCNC(=O)c1cc(cc(c1)I)C 527a_100020643023_100000729426 [0,2,0,0,0,0|1,0,0]=3 10272 B14R1.923 CCCNC(=O)c1cc(cc(c1)I)Cl 11a_100020643023_100012047205 [0,2,0,0,0,0|1,0,0]=3 10273 B14R1.923 CCCNC(=O)c1cc(cc(c1)I)Cl 1626a_100020643023_100012047205 [0,2,0,0,0,0|1,0,0]=3 10274 B14R1.923 CCCNC(=O)c1cc(cc(c1)I)Cl 240690a_100020643023_100012047205 [0,2,0,0,0,0|1,0,0]=3 10275 B14R1.923 CCCNC(=O)c1cc(cc(c1)I)Cl 527a_100020643023_100012047205 [0,2,0,0,0,0|1,0,0]=3 10276 B14R1.923 CCCNC(=O)c1cc(cc(c1)I)F 11a_100020643023_100012047268 [0,2,0,0,0,0|1,0,0]=3 10277 B14R1.923 CCCNC(=O)c1cc(cc(c1)I)F 1626a_100020643023_100012047268 [0,2,0,0,0,0|1,0,0]=3 10278 B14R1.923 CCCNC(=O)c1cc(cc(c1)I)F 240690a_100020643023_100012047268 [0,2,0,0,0,0|1,0,0]=3 10279 B14R1.923 CCCNC(=O)c1cc(cc(c1)I)F 527a_100020643023_100012047268 [0,2,0,0,0,0|1,0,0]=3 10280 B14R1.923 CCCNC(=O)c1cc(cc(c1)I)I 11a_100020643023_100011204819 [0,2,0,0,0,0|1,0,0]=3 10281 B14R1.923 CCCNC(=O)c1cc(cc(c1)I)I 1626a_100020643023_100011204819 [0,2,0,0,0,0|1,0,0]=3 10282 B14R1.923 CCCNC(=O)c1cc(cc(c1)I)I 240690a_100020643023_100011204819 [0,2,0,0,0,0|1,0,0]=3 10283 B14R1.923 CCCNC(=O)c1cc(cc(c1)I)I 527a_100020643023_100011204819 [0,2,0,0,0,0|1,0,0]=3 10284 B14R1.923 CCCNC(=O)c1cc(cc(c1)O)C 240690a_100020643023_100000094094 [0,2,0,0,0,0|1,0,0]=3 10285 B14R1.923 CCCNC(=O)c1cc(cc(c1)O)C 527a_100020643023_100000094094 [0,2,0,0,0,0|1,0,0]=3 10286 B14R1.923 CCCNC(=O)c1cc(cc(c1)O)O 240690a_100020643023_100000690292 [0,2,0,0,0,0|1,0,0]=3 10287 B14R1.923 CCCNC(=O)c1cc(cc(c1)O)O 527a_100020643023_100000690292 [0,2,0,0,0,0|1,0,0]=3 10288 B14R1.923 CCCO[C@@H](C)c1cc(cc(c1)F)F 34a_100012136759_100000210303 [0,2,0,0,0,0|1,0,1]=4 10289 B14R1.923 CCCO[C@@H](C)c1cc(cc(c1)F)F 7a_100012136759_100000210303 [0,2,0,0,0,0|1,0,1]=4 10290 B14R1.923 CCNCC(=O)c1cc(cc(c1)Cl)Cl 2230a_100015525214_200012340517 [0,2,0,0,0,0|2,0,0]=4 10291 B14R1.923 CCNCC(=O)c1cc(cc(c1)F)F 2230a_100015525214_100011216790 [0,2,0,0,0,0|2,0,0]=4 10292 B14R1.923 CCNCC(=O)c1cc(cc(c1)O)O 2230a_100015525214_100010006762 [0,2,0,0,0,0|2,0,0]=4 10293 B14R1.923 CCNNC(=O)c1cc(cc(c1)Br)Br 22a_100000756455_100000687083 [0,2,0,0,0,0|2,0,0]=4 10294 B14R1.923 CCNNC(=O)c1cc(cc(c1)Br)C 22a_100000756455_100000760426 [0,2,0,0,0,0|2,0,0]=4 10295 B14R1.923 CCNNC(=O)c1cc(cc(c1)Br)Cl 22a_100000756455_100000687899 [0,2,0,0,0,0|2,0,0]=4 10296 B14R1.923 CCNNC(=O)c1cc(cc(c1)Br)F 22a_100000756455_100000739618 [0,2,0,0,0,0|2,0,0]=4 10297 B14R1.923 CCNNC(=O)c1cc(cc(c1)Br)O 22a_100000756455_100011934545 [0,2,0,0,0,0|2,0,0]=4 10298 B14R1.923 CCNNC(=O)c1cc(cc(c1)C)C 22a_100000756455_100000210874 [0,2,0,0,0,0|2,0,0]=4 10299 B14R1.923 CCNNC(=O)c1cc(cc(c1)Cl)C 22a_100000756455_100000684526 [0,2,0,0,0,0|2,0,0]=4 10300 B14R1.923 CCNNC(=O)c1cc(cc(c1)Cl)Cl 22a_100000756455_100000210701 [0,2,0,0,0,0|2,0,0]=4 10301 B14R1.923 CCNNC(=O)c1cc(cc(c1)Cl)F 22a_100000756455_100000685768 [0,2,0,0,0,0|2,0,0]=4 10302 B14R1.923 CCNNC(=O)c1cc(cc(c1)Cl)O 22a_100000756455_100011997059 [0,2,0,0,0,0|2,0,0]=4 10303 B14R1.923 CCNNC(=O)c1cc(cc(c1)F)C 22a_100000756455_100000763163 [0,2,0,0,0,0|2,0,0]=4 10304 B14R1.923 CCNNC(=O)c1cc(cc(c1)F)F 22a_100000756455_100000211655 [0,2,0,0,0,0|2,0,0]=4 10305 B14R1.923 CCNNC(=O)c1cc(cc(c1)F)O 22a_100000756455_100012017291 [0,2,0,0,0,0|2,0,0]=4 10306 B14R1.923 CCNNC(=O)c1cc(cc(c1)I)Br 22a_100000756455_100000689235 [0,2,0,0,0,0|2,0,0]=4 10307 B14R1.923 CCNNC(=O)c1cc(cc(c1)I)C 22a_100000756455_100000729426 [0,2,0,0,0,0|2,0,0]=4 10308 B14R1.923 CCNNC(=O)c1cc(cc(c1)I)Cl 22a_100000756455_100012047205 [0,2,0,0,0,0|2,0,0]=4 10309 B14R1.923 CCNNC(=O)c1cc(cc(c1)I)F 22a_100000756455_100012047268 [0,2,0,0,0,0|2,0,0]=4 10310 B14R1.923 CCNNC(=O)c1cc(cc(c1)I)I 22a_100000756455_100011204819 [0,2,0,0,0,0|2,0,0]=4 10311 B14R1.923 CCNNC(=O)c1cc(cc(c1)O)C 22a_100000756455_100000094094 [0,2,0,0,0,0|2,0,0]=4 10312 B14R1.923 CCNNC(=O)c1cc(cc(c1)O)O 22a_100000756455_100000690292 [0,2,0,0,0,0|2,0,0]=4 10313 B14R1.923 CCOCC(=O)c1cc(cc(c1)Cl)Cl 34a_100121572206_200012340517 [0,2,0,0,0,0|2,0,0]=4 10314 B14R1.923 CCOCC(=O)c1cc(cc(c1)F)F 34a_100012568930_100000210202 [0,2,0,0,0,0|2,0,0]=4 10315 B14R1.923 CCOCC(=O)c1cc(cc(c1)F)F 34a_100121572206_100011216790 [0,2,0,0,0,0|2,0,0]=4 10316 B14R1.923 CCOCC(=O)c1cc(cc(c1)F)F 7a_100012568930_100000210202 [0,2,0,0,0,0|2,0,0]=4 10317 B14R1.923 CCOCC(=O)c1cc(cc(c1)O)O 34a_100121572206_100010006762 [0,2,0,0,0,0|2,0,0]=4 10318 B14R1.923 CCSCC(=O)c1cc(cc(c1)Cl)Cl 62a_100000210202_200012340517 [0,2,0,0,0,0|2,0,0]=4 10319 B14R1.923 CCSCC(=O)c1cc(cc(c1)Cl)Cl 62a_200012340517_100000210202 [0,2,0,0,0,0|2,0,0]=4 10320 B14R1.923 CCSCC(=O)c1cc(cc(c1)F)F 62a_100000210202_100011216790 [0,2,0,0,0,0|2,0,0]=4 10321 B14R1.923 CCSCC(=O)c1cc(cc(c1)F)F 62a_100011216790_100000210202 [0,2,0,0,0,0|2,0,0]=4 10322 B14R1.923 CCSCC(=O)c1cc(cc(c1)O)O 62a_100000210202_100010006762 [0,2,0,0,0,0|2,0,0]=4 10323 B14R1.923 CCSCC(=O)c1cc(cc(c1)O)O 62a_100010006762_100000210202 [0,2,0,0,0,0|2,0,0]=4 10324 B14R1.923 COCCC(=O)c1cc(cc(c1)Br)Br 1458a_100000687083_100000233755 [0,2,0,0,0,0|2,0,0]=4 10325 B14R1.923 COCCC(=O)c1cc(cc(c1)Br)C 1458a_100000760426_100000233755 [0,2,0,0,0,0|2,0,0]=4 10326 B14R1.923 COCCC(=O)c1cc(cc(c1)Br)Cl 1458a_100000687899_100000233755 [0,2,0,0,0,0|2,0,0]=4 10327 B14R1.923 COCCC(=O)c1cc(cc(c1)Br)F 1458a_100000739618_100000233755 [0,2,0,0,0,0|2,0,0]=4 10328 B14R1.923 COCCC(=O)c1cc(cc(c1)Br)O 1458a_100011934545_100000233755 [0,2,0,0,0,0|2,0,0]=4 10329 B14R1.923 COCCC(=O)c1cc(cc(c1)C)C 1458a_100000210874_100000233755 [0,2,0,0,0,0|2,0,0]=4 10330 B14R1.923 COCCC(=O)c1cc(cc(c1)Cl)C 1458a_100000684526_100000233755 [0,2,0,0,0,0|2,0,0]=4 10331 B14R1.923 COCCC(=O)c1cc(cc(c1)Cl)Cl 1458a_100000210701_100000233755 [0,2,0,0,0,0|2,0,0]=4 10332 B14R1.923 COCCC(=O)c1cc(cc(c1)Cl)F 1458a_100000685768_100000233755 [0,2,0,0,0,0|2,0,0]=4 10333 B14R1.923 COCCC(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_100000233755 [0,2,0,0,0,0|2,0,0]=4 10334 B14R1.923 COCCC(=O)c1cc(cc(c1)F)C 1458a_100000763163_100000233755 [0,2,0,0,0,0|2,0,0]=4 10335 B14R1.923 COCCC(=O)c1cc(cc(c1)F)F 1458a_100000211655_100000233755 [0,2,0,0,0,0|2,0,0]=4 10336 B14R1.923 COCCC(=O)c1cc(cc(c1)F)O 1458a_100012017291_100000233755 [0,2,0,0,0,0|2,0,0]=4 10337 B14R1.923 COCCC(=O)c1cc(cc(c1)I)Br 1458a_100000689235_100000233755 [0,2,0,0,0,0|2,0,0]=4 10338 B14R1.923 COCCC(=O)c1cc(cc(c1)I)C 1458a_100000729426_100000233755 [0,2,0,0,0,0|2,0,0]=4 10339 B14R1.923 COCCC(=O)c1cc(cc(c1)I)Cl 1458a_100012047205_100000233755 [0,2,0,0,0,0|2,0,0]=4 10340 B14R1.923 COCCC(=O)c1cc(cc(c1)I)F 1458a_100012047268_100000233755 [0,2,0,0,0,0|2,0,0]=4 10341 B14R1.923 COCCC(=O)c1cc(cc(c1)I)I 1458a_100011204819_100000233755 [0,2,0,0,0,0|2,0,0]=4 10342 B14R1.923 COCCC(=O)c1cc(cc(c1)O)C 1458a_100000094094_100000233755 [0,2,0,0,0,0|2,0,0]=4 10343 B14R1.923 CSCCC(=O)c1cc(cc(c1)Br)Br 1458a_100000687083_100000751147 [0,2,0,0,0,0|2,0,0]=4 10344 B14R1.923 CSCCC(=O)c1cc(cc(c1)Br)C 1458a_100000760426_100000751147 [0,2,0,0,0,0|2,0,0]=4 10345 B14R1.923 CSCCC(=O)c1cc(cc(c1)Br)Cl 1458a_100000687899_100000751147 [0,2,0,0,0,0|2,0,0]=4 10346 B14R1.923 CSCCC(=O)c1cc(cc(c1)Br)F 1458a_100000739618_100000751147 [0,2,0,0,0,0|2,0,0]=4 10347 B14R1.923 CSCCC(=O)c1cc(cc(c1)Br)O 1458a_100011934545_100000751147 [0,2,0,0,0,0|2,0,0]=4 10348 B14R1.923 CSCCC(=O)c1cc(cc(c1)C)C 1458a_100000210874_100000751147 [0,2,0,0,0,0|2,0,0]=4 10349 B14R1.923 CSCCC(=O)c1cc(cc(c1)Cl)C 1458a_100000684526_100000751147 [0,2,0,0,0,0|2,0,0]=4 10350 B14R1.923 CSCCC(=O)c1cc(cc(c1)Cl)Cl 1458a_100000210701_100000751147 [0,2,0,0,0,0|2,0,0]=4 10351 B14R1.923 CSCCC(=O)c1cc(cc(c1)Cl)F 1458a_100000685768_100000751147 [0,2,0,0,0,0|2,0,0]=4 10352 B14R1.923 CSCCC(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_100000751147 [0,2,0,0,0,0|2,0,0]=4 10353 B14R1.923 CSCCC(=O)c1cc(cc(c1)F)C 1458a_100000763163_100000751147 [0,2,0,0,0,0|2,0,0]=4 10354 B14R1.923 CSCCC(=O)c1cc(cc(c1)F)F 1458a_100000211655_100000751147 [0,2,0,0,0,0|2,0,0]=4 10355 B14R1.923 CSCCC(=O)c1cc(cc(c1)F)O 1458a_100012017291_100000751147 [0,2,0,0,0,0|2,0,0]=4 10356 B14R1.923 CSCCC(=O)c1cc(cc(c1)I)Br 1458a_100000689235_100000751147 [0,2,0,0,0,0|2,0,0]=4 10357 B14R1.923 CSCCC(=O)c1cc(cc(c1)I)C 1458a_100000729426_100000751147 [0,2,0,0,0,0|2,0,0]=4 10358 B14R1.923 CSCCC(=O)c1cc(cc(c1)I)Cl 1458a_100012047205_100000751147 [0,2,0,0,0,0|2,0,0]=4 10359 B14R1.923 CSCCC(=O)c1cc(cc(c1)I)F 1458a_100012047268_100000751147 [0,2,0,0,0,0|2,0,0]=4 10360 B14R1.923 CSCCC(=O)c1cc(cc(c1)I)I 1458a_100011204819_100000751147 [0,2,0,0,0,0|2,0,0]=4 10361 B14R1.923 CSCCC(=O)c1cc(cc(c1)O)C 1458a_100000094094_100000751147 [0,2,0,0,0,0|2,0,0]=4 10362 B14R1.923 Cc1cc(cc(c1)C(=O)CCCF)Br 1458a_100000760426_100011934791 [0,2,0,0,0,0|2,0,0]=4 10363 B14R1.923 Cc1cc(cc(c1)C(=O)CCCF)C 1458a_100000210874_100011934791 [0,2,0,0,0,0|2,0,0]=4 10364 B14R1.923 Cc1cc(cc(c1)C(=O)CCCF)Cl 1458a_100000684526_100011934791 [0,2,0,0,0,0|2,0,0]=4 10365 B14R1.923 Cc1cc(cc(c1)C(=O)CCCF)F 1458a_100000763163_100011934791 [0,2,0,0,0,0|2,0,0]=4 10366 B14R1.923 Cc1cc(cc(c1)C(=O)CCCF)I 1458a_100000729426_100011934791 [0,2,0,0,0,0|2,0,0]=4 10367 B14R1.923 Cc1cc(cc(c1)C(=O)CCCF)O 1458a_100000094094_100011934791 [0,2,0,0,0,0|2,0,0]=4 10368 B14R1.923 Cc1cc(cc(c1)C(=O)CCCO)Br 1458a_100000760426_100011215043 [0,2,0,0,0,0|2,0,0]=4 10369 B14R1.923 Cc1cc(cc(c1)C(=O)CCCO)C 1458a_100000210874_100011215043 [0,2,0,0,0,0|2,0,0]=4 10370 B14R1.923 Cc1cc(cc(c1)C(=O)CCCO)Cl 1458a_100000684526_100011215043 [0,2,0,0,0,0|2,0,0]=4 10371 B14R1.923 Cc1cc(cc(c1)C(=O)CCCO)F 1458a_100000763163_100011215043 [0,2,0,0,0,0|2,0,0]=4 10372 B14R1.923 Cc1cc(cc(c1)C(=O)CCCO)I 1458a_100000729426_100011215043 [0,2,0,0,0,0|2,0,0]=4 10373 B14R1.923 Cc1cc(cc(c1)C(=O)CCCO)O 1458a_100000094094_100011215043 [0,2,0,0,0,0|2,0,0]=4 10374 B14R1.923 Cc1cc(cc(c1)C(=O)NCCF)Br 11a_100000724931_100000760426 [0,2,0,0,0,0|2,0,0]=4 10375 B14R1.923 Cc1cc(cc(c1)C(=O)NCCF)Br 1626a_100000724931_100000760426 [0,2,0,0,0,0|2,0,0]=4 10376 B14R1.923 Cc1cc(cc(c1)C(=O)NCCF)Br 240690a_100000724931_100000760426 [0,2,0,0,0,0|2,0,0]=4 10377 B14R1.923 Cc1cc(cc(c1)C(=O)NCCF)Br 527a_100000724931_100000760426 [0,2,0,0,0,0|2,0,0]=4 10378 B14R1.923 Cc1cc(cc(c1)C(=O)NCCF)C 11a_100000724931_100000210874 [0,2,0,0,0,0|2,0,0]=4 10379 B14R1.923 Cc1cc(cc(c1)C(=O)NCCF)C 1626a_100000724931_100000210874 [0,2,0,0,0,0|2,0,0]=4 10380 B14R1.923 Cc1cc(cc(c1)C(=O)NCCF)C 240690a_100000724931_100000210874 [0,2,0,0,0,0|2,0,0]=4 10381 B14R1.923 Cc1cc(cc(c1)C(=O)NCCF)C 527a_100000724931_100000210874 [0,2,0,0,0,0|2,0,0]=4 10382 B14R1.923 Cc1cc(cc(c1)C(=O)NCCF)Cl 11a_100000724931_100000684526 [0,2,0,0,0,0|2,0,0]=4 10383 B14R1.923 Cc1cc(cc(c1)C(=O)NCCF)Cl 1626a_100000724931_100000684526 [0,2,0,0,0,0|2,0,0]=4 10384 B14R1.923 Cc1cc(cc(c1)C(=O)NCCF)Cl 240690a_100000724931_100000684526 [0,2,0,0,0,0|2,0,0]=4 10385 B14R1.923 Cc1cc(cc(c1)C(=O)NCCF)Cl 527a_100000724931_100000684526 [0,2,0,0,0,0|2,0,0]=4 10386 B14R1.923 Cc1cc(cc(c1)C(=O)NCCF)F 11a_100000724931_100000763163 [0,2,0,0,0,0|2,0,0]=4 10387 B14R1.923 Cc1cc(cc(c1)C(=O)NCCF)F 1626a_100000724931_100000763163 [0,2,0,0,0,0|2,0,0]=4 10388 B14R1.923 Cc1cc(cc(c1)C(=O)NCCF)F 240690a_100000724931_100000763163 [0,2,0,0,0,0|2,0,0]=4 10389 B14R1.923 Cc1cc(cc(c1)C(=O)NCCF)F 527a_100000724931_100000763163 [0,2,0,0,0,0|2,0,0]=4 10390 B14R1.923 Cc1cc(cc(c1)C(=O)NCCF)I 11a_100000724931_100000729426 [0,2,0,0,0,0|2,0,0]=4 10391 B14R1.923 Cc1cc(cc(c1)C(=O)NCCF)I 1626a_100000724931_100000729426 [0,2,0,0,0,0|2,0,0]=4 10392 B14R1.923 Cc1cc(cc(c1)C(=O)NCCF)I 240690a_100000724931_100000729426 [0,2,0,0,0,0|2,0,0]=4 10393 B14R1.923 Cc1cc(cc(c1)C(=O)NCCF)I 527a_100000724931_100000729426 [0,2,0,0,0,0|2,0,0]=4 10394 B14R1.923 Cc1cc(cc(c1)C(=O)NCCF)O 240690a_100000724931_100000094094 [0,2,0,0,0,0|2,0,0]=4 10395 B14R1.923 Cc1cc(cc(c1)C(=O)NCCF)O 527a_100000724931_100000094094 [0,2,0,0,0,0|2,0,0]=4 10396 B14R1.923 Cc1cc(cc(c1)C(=O)NCCO)Br 240690a_100000210304_100000760426 [0,2,0,0,0,0|2,0,0]=4 10397 B14R1.923 Cc1cc(cc(c1)C(=O)NCCO)Br 527a_100000210304_100000760426 [0,2,0,0,0,0|2,0,0]=4 10398 B14R1.923 Cc1cc(cc(c1)C(=O)NCCO)C 240690a_100000210304_100000210874 [0,2,0,0,0,0|2,0,0]=4 10399 B14R1.923 Cc1cc(cc(c1)C(=O)NCCO)C 527a_100000210304_100000210874 [0,2,0,0,0,0|2,0,0]=4 10400 B14R1.923 Cc1cc(cc(c1)C(=O)NCCO)Cl 240690a_100000210304_100000684526 [0,2,0,0,0,0|2,0,0]=4 10401 B14R1.923 Cc1cc(cc(c1)C(=O)NCCO)Cl 527a_100000210304_100000684526 [0,2,0,0,0,0|2,0,0]=4 10402 B14R1.923 Cc1cc(cc(c1)C(=O)NCCO)F 240690a_100000210304_100000763163 [0,2,0,0,0,0|2,0,0]=4 10403 B14R1.923 Cc1cc(cc(c1)C(=O)NCCO)F 527a_100000210304_100000763163 [0,2,0,0,0,0|2,0,0]=4 10404 B14R1.923 Cc1cc(cc(c1)C(=O)NCCO)I 240690a_100000210304_100000729426 [0,2,0,0,0,0|2,0,0]=4 10405 B14R1.923 Cc1cc(cc(c1)C(=O)NCCO)I 527a_100000210304_100000729426 [0,2,0,0,0,0|2,0,0]=4 10406 B14R1.923 Cc1cc(cc(c1)C(=O)NCCO)O 240690a_100000210304_100000094094 [0,2,0,0,0,0|2,0,0]=4 10407 B14R1.923 Cc1cc(cc(c1)C(=O)NCCO)O 527a_100000210304_100000094094 [0,2,0,0,0,0|2,0,0]=4 10408 B14R1.923 O=C(CCCF)c1cc(cc(c1)Br)Br 1458a_100000687083_100011934791 [0,2,0,0,0,0|2,0,0]=4 10409 B14R1.923 O=C(CCCF)c1cc(cc(c1)Br)Cl 1458a_100000687899_100011934791 [0,2,0,0,0,0|2,0,0]=4 10410 B14R1.923 O=C(CCCF)c1cc(cc(c1)Br)F 1458a_100000739618_100011934791 [0,2,0,0,0,0|2,0,0]=4 10411 B14R1.923 O=C(CCCF)c1cc(cc(c1)Br)O 1458a_100011934545_100011934791 [0,2,0,0,0,0|2,0,0]=4 10412 B14R1.923 O=C(CCCF)c1cc(cc(c1)Cl)Cl 1458a_100000210701_100011934791 [0,2,0,0,0,0|2,0,0]=4 10413 B14R1.923 O=C(CCCF)c1cc(cc(c1)Cl)F 1458a_100000685768_100011934791 [0,2,0,0,0,0|2,0,0]=4 10414 B14R1.923 O=C(CCCF)c1cc(cc(c1)Cl)O 1458a_100011997059_100011934791 [0,2,0,0,0,0|2,0,0]=4 10415 B14R1.923 O=C(CCCF)c1cc(cc(c1)F)F 1458a_100000211655_100011934791 [0,2,0,0,0,0|2,0,0]=4 10416 B14R1.923 O=C(CCCF)c1cc(cc(c1)F)O 1458a_100012017291_100011934791 [0,2,0,0,0,0|2,0,0]=4 10417 B14R1.923 O=C(CCCF)c1cc(cc(c1)I)Br 1458a_100000689235_100011934791 [0,2,0,0,0,0|2,0,0]=4 10418 B14R1.923 O=C(CCCF)c1cc(cc(c1)I)Cl 1458a_100012047205_100011934791 [0,2,0,0,0,0|2,0,0]=4 10419 B14R1.923 O=C(CCCF)c1cc(cc(c1)I)F 1458a_100012047268_100011934791 [0,2,0,0,0,0|2,0,0]=4 10420 B14R1.923 O=C(CCCF)c1cc(cc(c1)I)I 1458a_100011204819_100011934791 [0,2,0,0,0,0|2,0,0]=4 10421 B14R1.923 O=C(CCCO)c1cc(cc(c1)Br)Br 1458a_100000687083_100011215043 [0,2,0,0,0,0|2,0,0]=4 10422 B14R1.923 O=C(CCCO)c1cc(cc(c1)Br)Cl 1458a_100000687899_100011215043 [0,2,0,0,0,0|2,0,0]=4 10423 B14R1.923 O=C(CCCO)c1cc(cc(c1)Br)F 1458a_100000739618_100011215043 [0,2,0,0,0,0|2,0,0]=4 10424 B14R1.923 O=C(CCCO)c1cc(cc(c1)Br)O 1458a_100011934545_100011215043 [0,2,0,0,0,0|2,0,0]=4 10425 B14R1.923 O=C(CCCO)c1cc(cc(c1)Cl)Cl 1458a_100000210701_100011215043 [0,2,0,0,0,0|2,0,0]=4 10426 B14R1.923 O=C(CCCO)c1cc(cc(c1)Cl)F 1458a_100000685768_100011215043 [0,2,0,0,0,0|2,0,0]=4 10427 B14R1.923 O=C(CCCO)c1cc(cc(c1)Cl)O 1458a_100011997059_100011215043 [0,2,0,0,0,0|2,0,0]=4 10428 B14R1.923 O=C(CCCO)c1cc(cc(c1)F)F 1458a_100000211655_100011215043 [0,2,0,0,0,0|2,0,0]=4 10429 B14R1.923 O=C(CCCO)c1cc(cc(c1)F)O 1458a_100012017291_100011215043 [0,2,0,0,0,0|2,0,0]=4 10430 B14R1.923 O=C(CCCO)c1cc(cc(c1)I)Br 1458a_100000689235_100011215043 [0,2,0,0,0,0|2,0,0]=4 10431 B14R1.923 O=C(CCCO)c1cc(cc(c1)I)Cl 1458a_100012047205_100011215043 [0,2,0,0,0,0|2,0,0]=4 10432 B14R1.923 O=C(CCCO)c1cc(cc(c1)I)F 1458a_100012047268_100011215043 [0,2,0,0,0,0|2,0,0]=4 10433 B14R1.923 O=C(CCCO)c1cc(cc(c1)I)I 1458a_100011204819_100011215043 [0,2,0,0,0,0|2,0,0]=4 10434 B14R1.923 O=C(NCCF)c1cc(cc(c1)Br)Br 11a_100000724931_100000687083 [0,2,0,0,0,0|2,0,0]=4 10435 B14R1.923 O=C(NCCF)c1cc(cc(c1)Br)Br 1626a_100000724931_100000687083 [0,2,0,0,0,0|2,0,0]=4 10436 B14R1.923 O=C(NCCF)c1cc(cc(c1)Br)Br 240690a_100000724931_100000687083 [0,2,0,0,0,0|2,0,0]=4 10437 B14R1.923 O=C(NCCF)c1cc(cc(c1)Br)Br 527a_100000724931_100000687083 [0,2,0,0,0,0|2,0,0]=4 10438 B14R1.923 O=C(NCCF)c1cc(cc(c1)Br)Cl 11a_100000724931_100000687899 [0,2,0,0,0,0|2,0,0]=4 10439 B14R1.923 O=C(NCCF)c1cc(cc(c1)Br)Cl 1626a_100000724931_100000687899 [0,2,0,0,0,0|2,0,0]=4 10440 B14R1.923 O=C(NCCF)c1cc(cc(c1)Br)Cl 240690a_100000724931_100000687899 [0,2,0,0,0,0|2,0,0]=4 10441 B14R1.923 O=C(NCCF)c1cc(cc(c1)Br)Cl 527a_100000724931_100000687899 [0,2,0,0,0,0|2,0,0]=4 10442 B14R1.923 O=C(NCCF)c1cc(cc(c1)Br)F 11a_100000724931_100000739618 [0,2,0,0,0,0|2,0,0]=4 10443 B14R1.923 O=C(NCCF)c1cc(cc(c1)Br)F 1626a_100000724931_100000739618 [0,2,0,0,0,0|2,0,0]=4 10444 B14R1.923 O=C(NCCF)c1cc(cc(c1)Br)F 240690a_100000724931_100000739618 [0,2,0,0,0,0|2,0,0]=4 10445 B14R1.923 O=C(NCCF)c1cc(cc(c1)Br)F 527a_100000724931_100000739618 [0,2,0,0,0,0|2,0,0]=4 10446 B14R1.923 O=C(NCCF)c1cc(cc(c1)Br)O 240690a_100000724931_100011934545 [0,2,0,0,0,0|2,0,0]=4 10447 B14R1.923 O=C(NCCF)c1cc(cc(c1)Br)O 527a_100000724931_100011934545 [0,2,0,0,0,0|2,0,0]=4 10448 B14R1.923 O=C(NCCF)c1cc(cc(c1)Cl)Cl 11a_100000724931_100000210701 [0,2,0,0,0,0|2,0,0]=4 10449 B14R1.923 O=C(NCCF)c1cc(cc(c1)Cl)Cl 1626a_100000724931_100000210701 [0,2,0,0,0,0|2,0,0]=4 10450 B14R1.923 O=C(NCCF)c1cc(cc(c1)Cl)Cl 240690a_100000724931_100000210701 [0,2,0,0,0,0|2,0,0]=4 10451 B14R1.923 O=C(NCCF)c1cc(cc(c1)Cl)Cl 527a_100000724931_100000210701 [0,2,0,0,0,0|2,0,0]=4 10452 B14R1.923 O=C(NCCF)c1cc(cc(c1)Cl)F 11a_100000724931_100000685768 [0,2,0,0,0,0|2,0,0]=4 10453 B14R1.923 O=C(NCCF)c1cc(cc(c1)Cl)F 1626a_100000724931_100000685768 [0,2,0,0,0,0|2,0,0]=4 10454 B14R1.923 O=C(NCCF)c1cc(cc(c1)Cl)F 240690a_100000724931_100000685768 [0,2,0,0,0,0|2,0,0]=4 10455 B14R1.923 O=C(NCCF)c1cc(cc(c1)Cl)F 527a_100000724931_100000685768 [0,2,0,0,0,0|2,0,0]=4 10456 B14R1.923 O=C(NCCF)c1cc(cc(c1)Cl)O 240690a_100000724931_100011997059 [0,2,0,0,0,0|2,0,0]=4 10457 B14R1.923 O=C(NCCF)c1cc(cc(c1)Cl)O 527a_100000724931_100011997059 [0,2,0,0,0,0|2,0,0]=4 10458 B14R1.923 O=C(NCCF)c1cc(cc(c1)F)F 11a_100000724931_100000211655 [0,2,0,0,0,0|2,0,0]=4 10459 B14R1.923 O=C(NCCF)c1cc(cc(c1)F)F 1626a_100000724931_100000211655 [0,2,0,0,0,0|2,0,0]=4 10460 B14R1.923 O=C(NCCF)c1cc(cc(c1)F)F 240690a_100000724931_100000211655 [0,2,0,0,0,0|2,0,0]=4 10461 B14R1.923 O=C(NCCF)c1cc(cc(c1)F)F 527a_100000724931_100000211655 [0,2,0,0,0,0|2,0,0]=4 10462 B14R1.923 O=C(NCCF)c1cc(cc(c1)F)O 11a_100000724931_100012017291 [0,2,0,0,0,0|2,0,0]=4 10463 B14R1.923 O=C(NCCF)c1cc(cc(c1)F)O 240690a_100000724931_100012017291 [0,2,0,0,0,0|2,0,0]=4 10464 B14R1.923 O=C(NCCF)c1cc(cc(c1)F)O 527a_100000724931_100012017291 [0,2,0,0,0,0|2,0,0]=4 10465 B14R1.923 O=C(NCCF)c1cc(cc(c1)I)Br 11a_100000724931_100000689235 [0,2,0,0,0,0|2,0,0]=4 10466 B14R1.923 O=C(NCCF)c1cc(cc(c1)I)Br 1626a_100000724931_100000689235 [0,2,0,0,0,0|2,0,0]=4 10467 B14R1.923 O=C(NCCF)c1cc(cc(c1)I)Br 240690a_100000724931_100000689235 [0,2,0,0,0,0|2,0,0]=4 10468 B14R1.923 O=C(NCCF)c1cc(cc(c1)I)Br 527a_100000724931_100000689235 [0,2,0,0,0,0|2,0,0]=4 10469 B14R1.923 O=C(NCCF)c1cc(cc(c1)I)Cl 11a_100000724931_100012047205 [0,2,0,0,0,0|2,0,0]=4 10470 B14R1.923 O=C(NCCF)c1cc(cc(c1)I)Cl 1626a_100000724931_100012047205 [0,2,0,0,0,0|2,0,0]=4 10471 B14R1.923 O=C(NCCF)c1cc(cc(c1)I)Cl 240690a_100000724931_100012047205 [0,2,0,0,0,0|2,0,0]=4 10472 B14R1.923 O=C(NCCF)c1cc(cc(c1)I)Cl 527a_100000724931_100012047205 [0,2,0,0,0,0|2,0,0]=4 10473 B14R1.923 O=C(NCCF)c1cc(cc(c1)I)F 11a_100000724931_100012047268 [0,2,0,0,0,0|2,0,0]=4 10474 B14R1.923 O=C(NCCF)c1cc(cc(c1)I)F 1626a_100000724931_100012047268 [0,2,0,0,0,0|2,0,0]=4 10475 B14R1.923 O=C(NCCF)c1cc(cc(c1)I)F 240690a_100000724931_100012047268 [0,2,0,0,0,0|2,0,0]=4 10476 B14R1.923 O=C(NCCF)c1cc(cc(c1)I)F 527a_100000724931_100012047268 [0,2,0,0,0,0|2,0,0]=4 10477 B14R1.923 O=C(NCCF)c1cc(cc(c1)I)I 11a_100000724931_100011204819 [0,2,0,0,0,0|2,0,0]=4 10478 B14R1.923 O=C(NCCF)c1cc(cc(c1)I)I 1626a_100000724931_100011204819 [0,2,0,0,0,0|2,0,0]=4 10479 B14R1.923 O=C(NCCF)c1cc(cc(c1)I)I 240690a_100000724931_100011204819 [0,2,0,0,0,0|2,0,0]=4 10480 B14R1.923 O=C(NCCF)c1cc(cc(c1)I)I 527a_100000724931_100011204819 [0,2,0,0,0,0|2,0,0]=4 10481 B14R1.923 O=C(NCCF)c1cc(cc(c1)O)O 240690a_100000724931_100000690292 [0,2,0,0,0,0|2,0,0]=4 10482 B14R1.923 O=C(NCCF)c1cc(cc(c1)O)O 527a_100000724931_100000690292 [0,2,0,0,0,0|2,0,0]=4 10483 B14R1.923 O=C(NCCO)c1cc(cc(c1)Br)Br 240690a_100000210304_100000687083 [0,2,0,0,0,0|2,0,0]=4 10484 B14R1.923 O=C(NCCO)c1cc(cc(c1)Br)Br 527a_100000210304_100000687083 [0,2,0,0,0,0|2,0,0]=4 10485 B14R1.923 O=C(NCCO)c1cc(cc(c1)Br)Cl 240690a_100000210304_100000687899 [0,2,0,0,0,0|2,0,0]=4 10486 B14R1.923 O=C(NCCO)c1cc(cc(c1)Br)Cl 527a_100000210304_100000687899 [0,2,0,0,0,0|2,0,0]=4 10487 B14R1.923 O=C(NCCO)c1cc(cc(c1)Br)F 240690a_100000210304_100000739618 [0,2,0,0,0,0|2,0,0]=4 10488 B14R1.923 O=C(NCCO)c1cc(cc(c1)Br)F 527a_100000210304_100000739618 [0,2,0,0,0,0|2,0,0]=4 10489 B14R1.923 O=C(NCCO)c1cc(cc(c1)Br)O 240690a_100000210304_100011934545 [0,2,0,0,0,0|2,0,0]=4 10490 B14R1.923 O=C(NCCO)c1cc(cc(c1)Br)O 527a_100000210304_100011934545 [0,2,0,0,0,0|2,0,0]=4 10491 B14R1.923 O=C(NCCO)c1cc(cc(c1)Cl)Cl 240690a_100000210304_100000210701 [0,2,0,0,0,0|2,0,0]=4 10492 B14R1.923 O=C(NCCO)c1cc(cc(c1)Cl)Cl 527a_100000210304_100000210701 [0,2,0,0,0,0|2,0,0]=4 10493 B14R1.923 O=C(NCCO)c1cc(cc(c1)Cl)F 240690a_100000210304_100000685768 [0,2,0,0,0,0|2,0,0]=4 10494 B14R1.923 O=C(NCCO)c1cc(cc(c1)Cl)F 527a_100000210304_100000685768 [0,2,0,0,0,0|2,0,0]=4 10495 B14R1.923 O=C(NCCO)c1cc(cc(c1)Cl)O 240690a_100000210304_100011997059 [0,2,0,0,0,0|2,0,0]=4 10496 B14R1.923 O=C(NCCO)c1cc(cc(c1)Cl)O 527a_100000210304_100011997059 [0,2,0,0,0,0|2,0,0]=4 10497 B14R1.923 O=C(NCCO)c1cc(cc(c1)F)F 240690a_100000210304_100000211655 [0,2,0,0,0,0|2,0,0]=4 10498 B14R1.923 O=C(NCCO)c1cc(cc(c1)F)F 527a_100000210304_100000211655 [0,2,0,0,0,0|2,0,0]=4 10499 B14R1.923 O=C(NCCO)c1cc(cc(c1)F)O 240690a_100000210304_100012017291 [0,2,0,0,0,0|2,0,0]=4 10500 B14R1.923 O=C(NCCO)c1cc(cc(c1)F)O 527a_100000210304_100012017291 [0,2,0,0,0,0|2,0,0]=4 10501 B14R1.923 O=C(NCCO)c1cc(cc(c1)I)Br 240690a_100000210304_100000689235 [0,2,0,0,0,0|2,0,0]=4 10502 B14R1.923 O=C(NCCO)c1cc(cc(c1)I)Br 527a_100000210304_100000689235 [0,2,0,0,0,0|2,0,0]=4 10503 B14R1.923 O=C(NCCO)c1cc(cc(c1)I)Cl 240690a_100000210304_100012047205 [0,2,0,0,0,0|2,0,0]=4 10504 B14R1.923 O=C(NCCO)c1cc(cc(c1)I)Cl 527a_100000210304_100012047205 [0,2,0,0,0,0|2,0,0]=4 10505 B14R1.923 O=C(NCCO)c1cc(cc(c1)I)F 240690a_100000210304_100012047268 [0,2,0,0,0,0|2,0,0]=4 10506 B14R1.923 O=C(NCCO)c1cc(cc(c1)I)F 527a_100000210304_100012047268 [0,2,0,0,0,0|2,0,0]=4 10507 B14R1.923 O=C(NCCO)c1cc(cc(c1)I)I 240690a_100000210304_100011204819 [0,2,0,0,0,0|2,0,0]=4 10508 B14R1.923 O=C(NCCO)c1cc(cc(c1)I)I 527a_100000210304_100011204819 [0,2,0,0,0,0|2,0,0]=4 10509 B14R1.923 O=C(NCCO)c1cc(cc(c1)O)O 240690a_100000210304_100000690292 [0,2,0,0,0,0|2,0,0]=4 10510 B14R1.923 O=C(NCCO)c1cc(cc(c1)O)O 527a_100000210304_100000690292 [0,2,0,0,0,0|2,0,0]=4 10511 B14R1.934 C#Cc1cccc(c1)C(=O)CCCC 1458a_100011997762_100000210211 [0,2,0,0,0,0|1,0,0]=3 10512 B14R1.934 C#Cc1cccc(c1)C(=O)CCCF 1458a_100011997762_100011934791 [0,2,0,0,0,0|2,0,0]=4 10513 B14R1.934 C#Cc1cccc(c1)C(=O)CCCO 1458a_100011997762_100011215043 [0,2,0,0,0,0|2,0,0]=4 10514 B14R1.934 C#Cc1cccc(c1)C(=O)CCOC 1458a_100011997762_100000233755 [0,2,0,0,0,0|2,0,0]=4 10515 B14R1.934 C#Cc1cccc(c1)C(=O)CCSC 1458a_100011997762_100000751147 [0,2,0,0,0,0|2,0,0]=4 10516 B14R1.934 C#Cc1cccc(c1)C(=O)NCCC 11a_100020643023_100011997762 [0,2,0,0,0,0|1,0,0]=3 10517 B14R1.934 C#Cc1cccc(c1)C(=O)NCCC 1626a_100020643023_100011997762 [0,2,0,0,0,0|1,0,0]=3 10518 B14R1.934 C#Cc1cccc(c1)C(=O)NCCC 240690a_100020643023_100011997762 [0,2,0,0,0,0|1,0,0]=3 10519 B14R1.934 C#Cc1cccc(c1)C(=O)NCCC 527a_100020643023_100011997762 [0,2,0,0,0,0|1,0,0]=3 10520 B14R1.934 C#Cc1cccc(c1)C(=O)NCCF 11a_100000724931_100011997762 [0,2,0,0,0,0|2,0,0]=4 10521 B14R1.934 C#Cc1cccc(c1)C(=O)NCCF 1626a_100000724931_100011997762 [0,2,0,0,0,0|2,0,0]=4 10522 B14R1.934 C#Cc1cccc(c1)C(=O)NCCF 240690a_100000724931_100011997762 [0,2,0,0,0,0|2,0,0]=4 10523 B14R1.934 C#Cc1cccc(c1)C(=O)NCCF 527a_100000724931_100011997762 [0,2,0,0,0,0|2,0,0]=4 10524 B14R1.934 C#Cc1cccc(c1)C(=O)NCCO 240690a_100000210304_100011997762 [0,2,0,0,0,0|2,0,0]=4 10525 B14R1.934 C#Cc1cccc(c1)C(=O)NCCO 527a_100000210304_100011997762 [0,2,0,0,0,0|2,0,0]=4 10526 B14R1.934 C#Cc1cccc(c1)C(=O)NNCC 22a_100000756455_100011997762 [0,2,0,0,0,0|2,0,0]=4 10527 B14R1.934 C=Cc1cccc(c1)C(=O)CCCC 1458a_100011215009_100000210211 [0,2,0,0,0,0|1,0,0]=3 10528 B14R1.934 C=Cc1cccc(c1)C(=O)CCCF 1458a_100011215009_100011934791 [0,2,0,0,0,0|2,0,0]=4 10529 B14R1.934 C=Cc1cccc(c1)C(=O)CCCO 1458a_100011215009_100011215043 [0,2,0,0,0,0|2,0,0]=4 10530 B14R1.934 C=Cc1cccc(c1)C(=O)CCOC 1458a_100011215009_100000233755 [0,2,0,0,0,0|2,0,0]=4 10531 B14R1.934 C=Cc1cccc(c1)C(=O)CCSC 1458a_100011215009_100000751147 [0,2,0,0,0,0|2,0,0]=4 10532 B14R1.934 C=Cc1cccc(c1)C(=O)NCCC 11a_100020643023_100011215009 [0,2,0,0,0,0|1,0,0]=3 10533 B14R1.934 C=Cc1cccc(c1)C(=O)NCCC 1626a_100020643023_100011215009 [0,2,0,0,0,0|1,0,0]=3 10534 B14R1.934 C=Cc1cccc(c1)C(=O)NCCC 240690a_100020643023_100011215009 [0,2,0,0,0,0|1,0,0]=3 10535 B14R1.934 C=Cc1cccc(c1)C(=O)NCCC 271570a_100011290941_200000152271 [0,2,0,0,0,0|1,0,0]=3 10536 B14R1.934 C=Cc1cccc(c1)C(=O)NCCC 527a_100020643023_100011215009 [0,2,0,0,0,0|1,0,0]=3 10537 B14R1.934 C=Cc1cccc(c1)C(=O)NCCF 11a_100000724931_100011215009 [0,2,0,0,0,0|2,0,0]=4 10538 B14R1.934 C=Cc1cccc(c1)C(=O)NCCF 1626a_100000724931_100011215009 [0,2,0,0,0,0|2,0,0]=4 10539 B14R1.934 C=Cc1cccc(c1)C(=O)NCCF 240690a_100000724931_100011215009 [0,2,0,0,0,0|2,0,0]=4 10540 B14R1.934 C=Cc1cccc(c1)C(=O)NCCF 527a_100000724931_100011215009 [0,2,0,0,0,0|2,0,0]=4 10541 B14R1.934 C=Cc1cccc(c1)C(=O)NCCO 240690a_100000210304_100011215009 [0,2,0,0,0,0|2,0,0]=4 10542 B14R1.934 C=Cc1cccc(c1)C(=O)NCCO 271570a_100011290941_200000158903 [0,2,0,0,0,0|2,0,0]=4 10543 B14R1.934 C=Cc1cccc(c1)C(=O)NCCO 527a_100000210304_100011215009 [0,2,0,0,0,0|2,0,0]=4 10544 B14R1.934 C=Cc1cccc(c1)C(=O)NNCC 22a_100000756455_100011215009 [0,2,0,0,0,0|2,0,0]=4 10545 B14R1.934 C=Cc1cccc(c1)S(=O)CCCC 271570a_100011290941_200010264433 [0,2,0,0,0,0|2,0,0]=4 10546 B14R1.934 C=Cc1cncc(c1)C(=O)NCCC 271570a_100011290941_200000152275 [0,2,0,0,0,0|2,0,0]=4 10547 B14R1.934 CCCCC(=O)c1cccc(c1)C#N 1458a_100000183950_100000210211 [0,2,0,0,0,0|1,0,0]=3 10548 B14R1.934 CCCCC(=O)c1cccc(c1)CC 1458a_100011933908_100000210211 [0,2,0,0,0,0|1,0,0]=3 10549 B14R1.934 CCCCC(=O)c1cccc(c1)CO 1458a_100000746274_100000210211 [0,2,0,0,0,0|1,0,0]=3 10550 B14R1.934 CCCCC(=O)c1cccc(c1)OC 1458a_100000188888_100000210211 [0,2,0,0,0,0|1,0,0]=3 10551 B14R1.934 CCCCC(=O)c1cccc(c1)SC 1458a_100011217804_100000210211 [0,2,0,0,0,0|1,0,0]=3 10552 B14R1.934 CCCCS(=O)c1cccc(c1)SC 62a_200000210301_200010264433 [0,2,0,0,0,0|2,0,0]=4 10553 B14R1.934 CCCCS(=O)c1cccc(c1)S[13CH3] 62a_200025704644_200010264433 [0,2,0,0,0,0|2,0,0]=4 10554 B14R1.934 CCCNC(=O)c1cccc(c1)C#N 11a_100020643023_100000183950 [0,2,0,0,0,0|1,0,0]=3 10555 B14R1.934 CCCNC(=O)c1cccc(c1)C#N 1626a_100020643023_100000183950 [0,2,0,0,0,0|1,0,0]=3 10556 B14R1.934 CCCNC(=O)c1cccc(c1)C#N 240690a_100020643023_100000183950 [0,2,0,0,0,0|1,0,0]=3 10557 B14R1.934 CCCNC(=O)c1cccc(c1)C#N 527a_100020643023_100000183950 [0,2,0,0,0,0|1,0,0]=3 10558 B14R1.934 CCCNC(=O)c1cccc(c1)CC 11a_100020643023_100011933908 [0,2,0,0,0,0|1,0,0]=3 10559 B14R1.934 CCCNC(=O)c1cccc(c1)CC 1626a_100020643023_100011933908 [0,2,0,0,0,0|1,0,0]=3 10560 B14R1.934 CCCNC(=O)c1cccc(c1)CC 240690a_100020643023_100011933908 [0,2,0,0,0,0|1,0,0]=3 10561 B14R1.934 CCCNC(=O)c1cccc(c1)CC 527a_100020643023_100011933908 [0,2,0,0,0,0|1,0,0]=3 10562 B14R1.934 CCCNC(=O)c1cccc(c1)CO 240690a_100020643023_100000746274 [0,2,0,0,0,0|1,0,0]=3 10563 B14R1.934 CCCNC(=O)c1cccc(c1)OC 11a_100020643023_100000188888 [0,2,0,0,0,0|1,0,0]=3 10564 B14R1.934 CCCNC(=O)c1cccc(c1)OC 1626a_100020643023_100000188888 [0,2,0,0,0,0|1,0,0]=3 10565 B14R1.934 CCCNC(=O)c1cccc(c1)OC 240690a_100020643023_100000188888 [0,2,0,0,0,0|1,0,0]=3 10566 B14R1.934 CCCNC(=O)c1cccc(c1)OC 527a_100020643023_100000188888 [0,2,0,0,0,0|1,0,0]=3 10567 B14R1.934 CCCNC(=O)c1cccc(c1)SC 11a_100020643023_100011217804 [0,2,0,0,0,0|1,0,0]=3 10568 B14R1.934 CCCNC(=O)c1cccc(c1)SC 1626a_100020643023_100011217804 [0,2,0,0,0,0|1,0,0]=3 10569 B14R1.934 CCCNC(=O)c1cccc(c1)SC 240690a_100020643023_100011217804 [0,2,0,0,0,0|1,0,0]=3 10570 B14R1.934 CCCNC(=O)c1cccc(c1)SC 527a_100020643023_100011217804 [0,2,0,0,0,0|1,0,0]=3 10571 B14R1.934 CCCNC(=O)c1cccc(c1)SC 62a_200000152271_200000210301 [0,2,0,0,0,0|1,0,0]=3 10572 B14R1.934 CCCNC(=O)c1cccc(c1)SC 62a_200000210301_200000152271 [0,2,0,0,0,0|1,0,0]=3 10573 B14R1.934 CCCNC(=O)c1cccc(c1)S[13CH3] 62a_200000152271_200025704644 [0,2,0,0,0,0|1,0,0]=3 10574 B14R1.934 CCCNC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_200000152271 [0,2,0,0,0,0|1,0,0]=3 10575 B14R1.934 CCCNC(=O)c1cncc(c1)NC 27a_100102657272_200000152275 [0,2,0,0,0,0|2,0,0]=4 10576 B14R1.934 CCCNC(=O)c1cncc(c1)SC 62a_200000152275_200000210301 [0,2,0,0,0,0|2,0,0]=4 10577 B14R1.934 CCCNC(=O)c1cncc(c1)SC 62a_200000210301_200000152275 [0,2,0,0,0,0|2,0,0]=4 10578 B14R1.934 CCCNC(=O)c1cncc(c1)S[13CH3] 62a_200000152275_200025704644 [0,2,0,0,0,0|2,0,0]=4 10579 B14R1.934 CCCNC(=O)c1cncc(c1)S[13CH3] 62a_200025704644_200000152275 [0,2,0,0,0,0|2,0,0]=4 10580 B14R1.934 CCCOC(C)c1cccc(c1)OC 34a_100000246466_100000210303 [0,2,0,0,0,0|1,0,1]=4 10581 B14R1.934 CCCOC(C)c1cccc(c1)OC 7a_100000246466_100000210303 [0,2,0,0,0,0|1,0,1]=4 10582 B14R1.934 CCNCC(=O)c1cccc(c1)C#N 2230a_100015525214_100000751541 [0,2,0,0,0,0|2,0,0]=4 10583 B14R1.934 CCNNC(=O)c1cccc(c1)C#N 22a_100000756455_100000183950 [0,2,0,0,0,0|2,0,0]=4 10584 B14R1.934 CCNNC(=O)c1cccc(c1)CC 22a_100000756455_100011933908 [0,2,0,0,0,0|2,0,0]=4 10585 B14R1.934 CCNNC(=O)c1cccc(c1)CO 22a_100000756455_100000746274 [0,2,0,0,0,0|2,0,0]=4 10586 B14R1.934 CCNNC(=O)c1cccc(c1)OC 22a_100000756455_100000188888 [0,2,0,0,0,0|2,0,0]=4 10587 B14R1.934 CCNNC(=O)c1cccc(c1)SC 22a_100000756455_100011217804 [0,2,0,0,0,0|2,0,0]=4 10588 B14R1.934 CCOCC(=O)c1cccc(c1)C#N 34a_100121572206_100000751541 [0,2,0,0,0,0|2,0,0]=4 10589 B14R1.934 CCOCC(=O)c1cccc(c1)OC 34a_100121572206_100000211451 [0,2,0,0,0,0|2,0,0]=4 10590 B14R1.934 CCSCC(=O)c1cccc(c1)C#N 62a_100000210202_100000751541 [0,2,0,0,0,0|2,0,0]=4 10591 B14R1.934 CCSCC(=O)c1cccc(c1)OC 62a_100000210202_100000211451 [0,2,0,0,0,0|2,0,0]=4 10592 B14R1.934 CCSCC(=O)c1cccc(c1)OC 62a_100000211451_100000210202 [0,2,0,0,0,0|2,0,0]=4 10593 B14R1.934 CCc1cccc(c1)C(=O)CCCF 1458a_100011933908_100011934791 [0,2,0,0,0,0|2,0,0]=4 10594 B14R1.934 CCc1cccc(c1)C(=O)CCCO 1458a_100011933908_100011215043 [0,2,0,0,0,0|2,0,0]=4 10595 B14R1.934 CCc1cccc(c1)C(=O)CCOC 1458a_100011933908_100000233755 [0,2,0,0,0,0|2,0,0]=4 10596 B14R1.934 CCc1cccc(c1)C(=O)CCSC 1458a_100011933908_100000751147 [0,2,0,0,0,0|2,0,0]=4 10597 B14R1.934 CCc1cccc(c1)C(=O)NCCF 11a_100000724931_100011933908 [0,2,0,0,0,0|2,0,0]=4 10598 B14R1.934 CCc1cccc(c1)C(=O)NCCF 1626a_100000724931_100011933908 [0,2,0,0,0,0|2,0,0]=4 10599 B14R1.934 CCc1cccc(c1)C(=O)NCCF 240690a_100000724931_100011933908 [0,2,0,0,0,0|2,0,0]=4 10600 B14R1.934 CCc1cccc(c1)C(=O)NCCF 527a_100000724931_100011933908 [0,2,0,0,0,0|2,0,0]=4 10601 B14R1.934 CCc1cccc(c1)C(=O)NCCO 240690a_100000210304_100011933908 [0,2,0,0,0,0|2,0,0]=4 10602 B14R1.934 CCc1cccc(c1)C(=O)NCCO 527a_100000210304_100011933908 [0,2,0,0,0,0|2,0,0]=4 10603 B14R1.934 COCCC(=O)c1cccc(c1)C#N 1458a_100000183950_100000233755 [0,2,0,0,0,0|2,0,0]=4 10604 B14R1.934 COCCC(=O)c1cccc(c1)CO 1458a_100000746274_100000233755 [0,2,0,0,0,0|2,0,0]=4 10605 B14R1.934 COCCC(=O)c1cccc(c1)OC 1458a_100000188888_100000233755 [0,2,0,0,0,0|2,0,0]=4 10606 B14R1.934 COCCC(=O)c1cccc(c1)SC 1458a_100011217804_100000233755 [0,2,0,0,0,0|2,0,0]=4 10607 B14R1.934 COc1cccc(c1)C(=O)CCCF 1458a_100000188888_100011934791 [0,2,0,0,0,0|2,0,0]=4 10608 B14R1.934 COc1cccc(c1)C(=O)CCCO 1458a_100000188888_100011215043 [0,2,0,0,0,0|2,0,0]=4 10609 B14R1.934 COc1cccc(c1)C(=O)CCSC 1458a_100000188888_100000751147 [0,2,0,0,0,0|2,0,0]=4 10610 B14R1.934 COc1cccc(c1)C(=O)NCCF 11a_100000724931_100000188888 [0,2,0,0,0,0|2,0,0]=4 10611 B14R1.934 COc1cccc(c1)C(=O)NCCF 1626a_100000724931_100000188888 [0,2,0,0,0,0|2,0,0]=4 10612 B14R1.934 COc1cccc(c1)C(=O)NCCF 240690a_100000724931_100000188888 [0,2,0,0,0,0|2,0,0]=4 10613 B14R1.934 COc1cccc(c1)C(=O)NCCF 527a_100000724931_100000188888 [0,2,0,0,0,0|2,0,0]=4 10614 B14R1.934 COc1cccc(c1)C(=O)NCCO 240690a_100000210304_100000188888 [0,2,0,0,0,0|2,0,0]=4 10615 B14R1.934 COc1cccc(c1)C(=O)NCCO 527a_100000210304_100000188888 [0,2,0,0,0,0|2,0,0]=4 10616 B14R1.934 CSCCC(=O)c1cccc(c1)C#N 1458a_100000183950_100000751147 [0,2,0,0,0,0|2,0,0]=4 10617 B14R1.934 CSCCC(=O)c1cccc(c1)CO 1458a_100000746274_100000751147 [0,2,0,0,0,0|2,0,0]=4 10618 B14R1.934 CSCCC(=O)c1cccc(c1)SC 1458a_100011217804_100000751147 [0,2,0,0,0,0|2,0,0]=4 10619 B14R1.934 CSc1cccc(c1)C(=O)CCCF 1458a_100011217804_100011934791 [0,2,0,0,0,0|2,0,0]=4 10620 B14R1.934 CSc1cccc(c1)C(=O)CCCO 1458a_100011217804_100011215043 [0,2,0,0,0,0|2,0,0]=4 10621 B14R1.934 CSc1cccc(c1)C(=O)NCCF 11a_100000724931_100011217804 [0,2,0,0,0,0|2,0,0]=4 10622 B14R1.934 CSc1cccc(c1)C(=O)NCCF 1626a_100000724931_100011217804 [0,2,0,0,0,0|2,0,0]=4 10623 B14R1.934 CSc1cccc(c1)C(=O)NCCF 240690a_100000724931_100011217804 [0,2,0,0,0,0|2,0,0]=4 10624 B14R1.934 CSc1cccc(c1)C(=O)NCCF 527a_100000724931_100011217804 [0,2,0,0,0,0|2,0,0]=4 10625 B14R1.934 CSc1cccc(c1)C(=O)NCCO 240690a_100000210304_100011217804 [0,2,0,0,0,0|2,0,0]=4 10626 B14R1.934 CSc1cccc(c1)C(=O)NCCO 527a_100000210304_100011217804 [0,2,0,0,0,0|2,0,0]=4 10627 B14R1.934 CSc1cccc(c1)C(=O)NCCO 62a_200000158903_200000210301 [0,2,0,0,0,0|2,0,0]=4 10628 B14R1.934 CSc1cccc(c1)C(=O)NCCO 62a_200000210301_200000158903 [0,2,0,0,0,0|2,0,0]=4 10629 B14R1.934 N#Cc1cccc(c1)C(=O)CCCF 1458a_100000183950_100011934791 [0,2,0,0,0,0|2,0,0]=4 10630 B14R1.934 N#Cc1cccc(c1)C(=O)CCCO 1458a_100000183950_100011215043 [0,2,0,0,0,0|2,0,0]=4 10631 B14R1.934 N#Cc1cccc(c1)C(=O)NCCF 11a_100000724931_100000183950 [0,2,0,0,0,0|2,0,0]=4 10632 B14R1.934 N#Cc1cccc(c1)C(=O)NCCF 1626a_100000724931_100000183950 [0,2,0,0,0,0|2,0,0]=4 10633 B14R1.934 N#Cc1cccc(c1)C(=O)NCCF 240690a_100000724931_100000183950 [0,2,0,0,0,0|2,0,0]=4 10634 B14R1.934 N#Cc1cccc(c1)C(=O)NCCF 527a_100000724931_100000183950 [0,2,0,0,0,0|2,0,0]=4 10635 B14R1.934 N#Cc1cccc(c1)C(=O)NCCO 240690a_100000210304_100000183950 [0,2,0,0,0,0|2,0,0]=4 10636 B14R1.934 N#Cc1cccc(c1)C(=O)NCCO 527a_100000210304_100000183950 [0,2,0,0,0,0|2,0,0]=4 10637 B14R1.934 O=C(CCCF)c1cccc(c1)CO 1458a_100000746274_100011934791 [0,2,0,0,0,0|2,0,0]=4 10638 B14R1.934 O=C(CCCO)c1cccc(c1)CO 1458a_100000746274_100011215043 [0,2,0,0,0,0|2,0,0]=4 10639 B14R1.934 O=C(NCCF)c1cccc(c1)CO 240690a_100000724931_100000746274 [0,2,0,0,0,0|2,0,0]=4 10640 B14R1.934 O=C(NCCO)c1cccc(c1)CO 240690a_100000210304_100000746274 [0,2,0,0,0,0|2,0,0]=4 10641 B14R1.934 [13CH3]Sc1cccc(c1)C(=O)NCCO 62a_200000158903_200025704644 [0,2,0,0,0,0|2,0,0]=4 10642 B14R1.934 [13CH3]Sc1cccc(c1)C(=O)NCCO 62a_200025704644_200000158903 [0,2,0,0,0,0|2,0,0]=4 10643 B14R1.38 C#CCCCCC(=O)c1ccccc1 1458a_100000185807_100010269958 [0,2,0,0,0,0|1,0,0]=3 10644 B14R1.38 C#CCCCNC(=O)c1ccccc1 11a_100000718082_100000185807 [0,2,0,0,0,0|1,0,0]=3 10645 B14R1.38 C#CCCCNC(=O)c1ccccc1 1626a_100000718082_100000185807 [0,2,0,0,0,0|1,0,0]=3 10646 B14R1.38 C#CCCCNC(=O)c1ccccc1 240690a_100000718082_100000185807 [0,2,0,0,0,0|1,0,0]=3 10647 B14R1.38 C#CCCCNC(=O)c1ccccc1 527a_100000718082_100000185807 [0,2,0,0,0,0|1,0,0]=3 10648 B14R1.38 C#CCCCOC(C)c1ccccc1 34a_100000215630_100000211855 [0,2,0,0,0,0|1,0,1]=4 10649 B14R1.38 C#CCCCOC(C)c1ccccc1 7a_100000215630_100000230085 [0,2,0,0,0,0|1,0,1]=4 10650 B14R1.38 C#CCCCO[C@H](C)c1ccccc1 34a_100000761318_100000695029 [0,2,0,0,0,0|1,0,1]=4 10651 B14R1.38 C#CCCCO[C@H](C)c1ccccc1 7a_100000761318_100011215417 [0,2,0,0,0,0|1,0,1]=4 10652 B14R1.38 C#CCCOCC(=O)c1ccccn1 34a_100011215631_100000027445 [0,2,0,0,0,0|1,0,1]=4 10653 B14R1.38 C#CCCSCC(=O)c1ccccc1 62a_100000211460_100000688953 [0,2,0,0,0,0|0,1,1]=4 10654 B14R1.38 C#CCCSCC(=O)c1ccccc1 62a_100000688953_100000211460 [0,2,0,0,0,0|0,1,1]=4 10655 B14R1.38 C#CCOCCC(=O)c1ccccc1 1458a_100000185807_100010402529 [0,2,0,0,0,0|0,0,2]=4 10656 B14R1.38 C#CCSCCC(=O)c1ccccc1 62a_100000038162_100000750707 [0,2,0,0,0,0|1,0,1]=4 10657 B14R1.38 C#CCSCOC(=O)c1ccccc1 62a_100000038162_100000073877 [0,2,0,0,0,0|0,0,1]=3 10658 B14R1.38 C/C=C/CCOC(C)c1ccccc1 34a_100016278192_100000211855 [0,2,0,0,0,0|1,0,1]=4 10659 B14R1.38 C/C=C/COCC(=O)c1ccccn1 34a_100016270725_100000027445 [0,2,0,0,0,0|1,0,1]=4 10660 B14R1.38 C/C=C/CSCC(=O)c1ccccc1 62a_100000211460_100102629194 [0,2,0,0,0,0|0,1,1]=4 10661 B14R1.38 C/C=C/CSCC(=O)c1ccccc1 62a_100102629194_100000211460 [0,2,0,0,0,0|0,1,1]=4 10662 B14R1.38 C=CCCCCC(=O)c1ccccc1 1458a_100000185807_100011215482 [0,2,0,0,0,0|1,0,0]=3 10663 B14R1.38 C=CCCCNC(=O)c1ccccc1 11a_100000700776_100000185807 [0,2,0,0,0,0|1,0,0]=3 10664 B14R1.38 C=CCCCNC(=O)c1ccccc1 1626a_100000700776_100000185807 [0,2,0,0,0,0|1,0,0]=3 10665 B14R1.38 C=CCCCNC(=O)c1ccccc1 240690a_100000700776_100000185807 [0,2,0,0,0,0|1,0,0]=3 10666 B14R1.38 C=CCCCNC(=O)c1ccccc1 527a_100000700776_100000185807 [0,2,0,0,0,0|1,0,0]=3 10667 B14R1.38 C=CCCCOC(C)c1ccccc1 34a_100000758997_100000211855 [0,2,0,0,0,0|1,0,1]=4 10668 B14R1.38 C=CCCCOC(C)c1ccccc1 7a_100000758997_100000230085 [0,2,0,0,0,0|1,0,1]=4 10669 B14R1.38 C=CCCCO[C@H](C)c1ccccc1 34a_100000761318_100000757094 [0,2,0,0,0,0|1,0,1]=4 10670 B14R1.38 C=CCCCO[C@H](C)c1ccccc1 7a_100000761318_100000757094 [0,2,0,0,0,0|1,0,1]=4 10671 B14R1.38 C=CCCOCC(=O)c1ccccn1 34a_100011205117_100000027445 [0,2,0,0,0,0|1,0,1]=4 10672 B14R1.38 C=CCCSCC(=O)c1ccccc1 62a_100000211460_100000754431 [0,2,0,0,0,0|0,1,1]=4 10673 B14R1.38 C=CCCSCC(=O)c1ccccc1 62a_100000754431_100000211460 [0,2,0,0,0,0|0,1,1]=4 10674 B14R1.38 C=CCNCCC(=O)c1ccccc1 2230a_100020586998_100000750707 [0,2,0,0,0,0|1,0,1]=4 10675 B14R1.38 C=CCSCCC(=O)c1ccccc1 62a_100000210623_100000750707 [0,2,0,0,0,0|1,0,1]=4 10676 B14R1.38 C=CCSCCC(=O)c1ccccc1 62a_100000750707_100000210623 [0,2,0,0,0,0|1,0,1]=4 10677 B14R1.38 C=CCSCOC(=O)c1ccccc1 62a_100000073877_100000210623 [0,2,0,0,0,0|0,0,1]=3 10678 B14R1.38 C=CCSCOC(=O)c1ccccc1 62a_100000210623_100000073877 [0,2,0,0,0,0|0,0,1]=3 10679 B14R1.38 CC#CCCOC(C)c1ccccc1 34a_100000750427_100000211855 [0,2,0,0,0,0|1,0,1]=4 10680 B14R1.38 CC#CCOCC(=O)c1ccccn1 34a_100000761923_100000027445 [0,2,0,0,0,0|1,0,1]=4 10681 B14R1.38 CC#CCSCC(=O)c1ccccc1 62a_100000211460_100000748600 [0,2,0,0,0,0|0,1,1]=4 10682 B14R1.38 CC#CCSCC(=O)c1ccccc1 62a_100000748600_100000211460 [0,2,0,0,0,0|0,1,1]=4 10683 B14R1.38 CC(COCCCBr)c1ccccc1 34a_100011217188_100000756946 [0,2,0,0,0,0|1,0,1]=4 10684 B14R1.38 CC(COCCCCl)c1ccccc1 34a_100000230001_100000756946 [0,2,0,0,0,0|1,0,1]=4 10685 B14R1.38 CC(COCCCF)c1ccccc1 34a_100000759539_100000756946 [0,2,0,0,0,0|1,0,1]=4 10686 B14R1.38 CC(COCCCF)c1ccccc1 34a_100011215166_100011934791 [0,2,0,0,0,0|1,0,1]=4 10687 B14R1.38 CC(COCCCF)c1ccccc1 7a_100011215166_100011934791 [0,2,0,0,0,0|1,0,1]=4 10688 B14R1.38 CC(COCCCN)c1ccccc1 34a_100000182051_100000756946 [0,2,0,0,0,0|1,0,1]=4 10689 B14R1.38 CC(COCCCO)c1ccccc1 34a_100011215166_100000230001 [0,2,0,0,0,0|1,0,1]=4 10690 B14R1.38 CC(COCCCO)c1ccccc1 7a_100011215166_100011215043 [0,2,0,0,0,0|1,0,1]=4 10691 B14R1.38 CC(OCCCCBr)c1ccccc1 34a_100011216708_100000211855 [0,2,0,0,0,0|1,0,1]=4 10692 B14R1.38 CC(OCCCCCl)c1ccccc1 34a_100000210776_100000211855 [0,2,0,0,0,0|1,0,1]=4 10693 B14R1.38 CC(OCCCCCl)c1ccccc1 7a_100000210776_100000230085 [0,2,0,0,0,0|1,0,1]=4 10694 B14R1.38 CC(OCCCCF)c1ccccc1 34a_100011995726_100000211855 [0,2,0,0,0,0|1,0,1]=4 10695 B14R1.38 CC(OCCCCF)c1ccccc1 7a_100011995726_100000230085 [0,2,0,0,0,0|1,0,1]=4 10696 B14R1.38 CC(OCCCCI)c1ccccc1 34a_200012148704_100000211855 [0,2,0,0,0,0|1,0,1]=4 10697 B14R1.38 CC(OCCCCN)c1ccccc1 34a_100000750430_100000211855 [0,2,0,0,0,0|1,0,1]=4 10698 B14R1.38 CC(OCCCN[13CH3])c1ccccc1 2230a_100000206020_200025704644 [0,2,0,0,0,0|1,0,1]=4 10699 B14R1.38 CC(OCCCN[13CH3])c1ccccc1 34a_100000206020_200025704644 [0,2,0,0,0,0|1,0,1]=4 10700 B14R1.38 CC/C=C\CCC(=O)c1ccccc1 1458a_100000185807_100015370543 [0,2,0,0,0,0|1,0,0]=3 10701 B14R1.38 CC/C=C\COC(C)c1ccccc1 34a_100016268518_100000211855 [0,2,0,0,0,0|1,0,1]=4 10702 B14R1.38 CC/C=C\CO[C@H](C)c1ccccc1 34a_100000761318_100103147603 [0,2,0,0,0,0|1,0,1]=4 10703 B14R1.38 CC/C=C\CO[C@H](C)c1ccccc1 7a_100000761318_100103147603 [0,2,0,0,0,0|1,0,1]=4 10704 B14R1.38 CC=CCSCC(=O)c1ccccc1 62a_100000070051_100000211460 [0,2,0,0,0,0|0,1,1]=4 10705 B14R1.38 CC=CCSCC(=O)c1ccccc1 62a_100000211460_100000070051 [0,2,0,0,0,0|0,1,1]=4 10706 B14R1.38 CCC#CCOC(C)c1ccccc1 34a_100000032950_100000211855 [0,2,0,0,0,0|1,0,1]=4 10707 B14R1.38 CCC#CCO[C@H](C)c1ccccc1 34a_100000761318_100009813939 [0,2,0,0,0,0|1,0,1]=4 10708 B14R1.38 CCC#CCO[C@H](C)c1ccccc1 7a_100000761318_100009813939 [0,2,0,0,0,0|1,0,1]=4 10709 B14R1.38 CCCC=NNC(=O)c1ccccc1 4a_100000184135_100000185831 [0,2,0,0,0,0|1,0,0]=3 10710 B14R1.38 CCCC=NNC(=O)c1ccccn1 4a_100000184044_100000185831 [0,2,0,0,0,0|2,0,0]=4 10711 B14R1.38 CCCC=NNC(=O)c1cccnc1 4a_100000189771_100000185831 [0,2,0,0,0,0|2,0,0]=4 10712 B14R1.38 CCCC=NNC(=O)c1ccncc1 4a_100000189768_100000185831 [0,2,0,0,0,0|2,0,0]=4 10713 B14R1.38 CCCCCCC(=O)c1ccccc1 1458a_100000185807_100000210757 [0,2,0,0,0,0|1,0,0]=3 10714 B14R1.38 CCCCCNC(=O)c1ccccc1 11a_100000209983_100000185807 [0,2,0,0,0,0|1,0,0]=3 10715 B14R1.38 CCCCCNC(=O)c1ccccc1 1626a_100000209983_100000185807 [0,2,0,0,0,0|1,0,0]=3 10716 B14R1.38 CCCCCNC(=O)c1ccccc1 240690a_100000209983_100000185807 [0,2,0,0,0,0|1,0,0]=3 10717 B14R1.38 CCCCCNC(=O)c1ccccc1 527a_100000209983_100000185807 [0,2,0,0,0,0|1,0,0]=3 10718 B14R1.38 CCCCCOC(C)c1ccccc1 34a_100000210253_100000211855 [0,2,0,0,0,0|1,0,1]=4 10719 B14R1.38 CCCCCOC(C)c1ccccc1 7a_100000210253_100000230085 [0,2,0,0,0,0|1,0,1]=4 10720 B14R1.38 CCCCCO[C@H](C)c1ccccc1 34a_100000761318_100000718602 [0,2,0,0,0,0|1,0,1]=4 10721 B14R1.38 CCCCCO[C@H](C)c1ccccc1 7a_100000761318_100000210326 [0,2,0,0,0,0|1,0,1]=4 10722 B14R1.38 CCCCNCC(=O)c1ccccc1 7a_106832991798_100000211460 [0,2,0,0,0,0|1,0,0]=3 10723 B14R1.38 CCCCNCC(=O)c1ccccn1 7a_106832991798_100000027445 [0,2,0,0,0,0|2,0,0]=4 10724 B14R1.38 CCCCNCC(=O)c1ccncc1 7a_106832991798_100015248511 [0,2,0,0,0,0|2,0,0]=4 10725 B14R1.38 CCCCNN=C(C)c1ccccc1 4a_100025702795_100000185851 [0,2,0,0,0,0|2,0,0]=4 10726 B14R1.38 CCCCNNC(=O)c1ccccc1 22a_100025702795_100000185807 [0,2,0,0,0,0|1,0,0]=3 10727 B14R1.38 CCCCOCC(=O)c1ccccc1 1458a_100000185807_100011995733 [0,2,0,0,0,0|0,0,0]=2 10728 B14R1.38 CCCCOCC(=O)c1ccccc1 7a_100000210227_100000211460 [0,2,0,0,0,0|0,0,0]=2 10729 B14R1.38 CCCCOCC(=O)c1ccccn1 34a_100000210227_100000027445 [0,2,0,0,0,0|1,0,0]=3 10730 B14R1.38 CCCCOCC(=O)c1ccccn1 7a_100000210227_100000027445 [0,2,0,0,0,0|1,0,0]=3 10731 B14R1.38 CCCCOCC(=O)c1ccncc1 7a_100000210227_100015248511 [0,2,0,0,0,0|1,0,0]=3 10732 B14R1.38 CCCCOCC(C)c1ccccc1 34a_100000210227_100000756946 [0,2,0,0,0,0|1,0,1]=4 10733 B14R1.38 CCCCOCC(C)c1ccccc1 34a_100011215166_100000210210 [0,2,0,0,0,0|1,0,1]=4 10734 B14R1.38 CCCCOCC(C)c1ccccc1 7a_100000210227_100000756946 [0,2,0,0,0,0|1,0,1]=4 10735 B14R1.38 CCCCOCC(C)c1ccccc1 7a_100011215166_100000210211 [0,2,0,0,0,0|1,0,1]=4 10736 B14R1.38 CCCCOCC(O)c1ccccc1 34a_100000210227_100000185958 [0,2,0,0,0,0|0,0,2]=4 10737 B14R1.38 CCCCOCC(O)c1ccccc1 7a_100000210227_100000185958 [0,2,0,0,0,0|0,0,2]=4 10738 B14R1.38 CCCCOCN(C)c1ccccc1 2230a_100000210012_100011995733 [0,2,0,0,0,0|2,0,0]=4 10739 B14R1.38 CCCCOCN(C)c1ccccc1 269982a_100000210012_100011995733 [0,2,0,0,0,0|2,0,0]=4 10740 B14R1.38 CCCCOCN(C)c1ccccc1 34a_100000210012_100011995733 [0,2,0,0,0,0|2,0,0]=4 10741 B14R1.38 CCCCOC[C@@H](N)c1ccccc1 34a_100000751927_100000210210 [0,2,0,0,0,0|1,0,1]=4 10742 B14R1.38 CCCCOC[C@@H](O)c1ccccc1 34a_100000210227_100011933945 [0,2,0,0,0,0|0,0,2]=4 10743 B14R1.38 CCCCOC[C@@H](O)c1ccccc1 7a_100000210227_100011933945 [0,2,0,0,0,0|0,0,2]=4 10744 B14R1.38 CCCCSCC(=O)c1ccccc1 62a_100000210211_100000211460 [0,2,0,0,0,0|0,1,0]=3 10745 B14R1.38 CCCCSCC(=O)c1ccccc1 62a_100000211460_100000210210 [0,2,0,0,0,0|0,1,0]=3 10746 B14R1.38 CCCCSCC(=O)c1ccccn1 62a_100000027445_100000210210 [0,2,0,0,0,0|1,1,0]=4 10747 B14R1.38 CCCCSCC(=O)c1ccccn1 62a_100000210211_100000027445 [0,2,0,0,0,0|1,1,0]=4 10748 B14R1.38 CCCCSCC(=O)c1cccnc1 62a_100000210211_100000757877 [0,2,0,0,0,0|1,1,0]=4 10749 B14R1.38 CCCCSCC(=O)c1cccnc1 62a_100000757877_100000210210 [0,2,0,0,0,0|1,1,0]=4 10750 B14R1.38 CCCCSCC(=O)c1ccncc1 62a_100000027454_100000210210 [0,2,0,0,0,0|1,1,0]=4 10751 B14R1.38 CCCCSCC(=O)c1ccncc1 62a_100000210211_100000027454 [0,2,0,0,0,0|1,1,0]=4 10752 B14R1.38 CCCCSCS(=O)c1ccccc1 62a_100000210211_100000031784 [0,2,0,0,0,0|1,1,0]=4 10753 B14R1.38 CCCOCCC(=O)c1ccccc1 1458a_100000185807_100011215938 [0,2,0,0,0,0|0,0,0]=2 10754 B14R1.38 CCCOCCN(C)c1ccccc1 2230a_100000210012_100011215938 [0,2,0,0,0,0|2,0,0]=4 10755 B14R1.38 CCCOCCN(C)c1ccccc1 269982a_100000210012_100011215938 [0,2,0,0,0,0|2,0,0]=4 10756 B14R1.38 CCCOCCN(C)c1ccccc1 34a_100000210012_100011215938 [0,2,0,0,0,0|2,0,0]=4 10757 B14R1.38 CCCOCC[C@@H](O)c1ccccc1 34a_100000210258_100000729684 [0,2,0,0,0,0|0,0,2]=4 10758 B14R1.38 CCCOCC[C@H](N)c1ccccc1 34a_100025705951_100000210303 [0,2,0,0,0,0|1,0,1]=4 10759 B14R1.38 CCCSCCC(=O)c1ccccc1 62a_100000210303_100000750707 [0,2,0,0,0,0|0,1,0]=3 10760 B14R1.38 CCCSCCC(=O)c1ccccc1 62a_100000750707_100000210303 [0,2,0,0,0,0|0,1,0]=3 10761 B14R1.38 CCCSCCS(=O)c1ccccc1 62a_100000210303_100000740319 [0,2,0,0,0,0|1,1,0]=4 10762 B14R1.38 CCCSCOC(=O)c1ccccc1 62a_100000073877_100000210303 [0,2,0,0,0,0|0,0,0]=2 10763 B14R1.38 CCCSCOC(=O)c1ccccc1 62a_100000210303_100000073877 [0,2,0,0,0,0|0,0,0]=2 10764 B14R1.38 CCNCCCC(=O)c1ccccc1 2230a_100015525214_100000211006 [0,2,0,0,0,0|1,0,0]=3 10765 B14R1.38 CCNCCNC(=O)c1ccccc1 2230a_100000736134_100000210202 [0,2,0,0,0,0|1,0,0]=3 10766 B14R1.38 CCNCCNC(=O)c1ccncc1 2230a_200011198449_100000210202 [0,2,0,0,0,0|2,0,0]=4 10767 B14R1.38 CCOCCCC(=O)c1ccccc1 1458a_100000185807_100012232248 [0,2,0,0,0,0|1,0,0]=3 10768 B14R1.38 CCOCCNC(=O)c1ccccc1 11a_100011200944_100000185807 [0,2,0,0,0,0|1,0,0]=3 10769 B14R1.38 CCOCCNC(=O)c1ccccc1 1626a_102516460346_100000185807 [0,2,0,0,0,0|1,0,0]=3 10770 B14R1.38 CCOCCNC(=O)c1ccccc1 240690a_100011200944_100000185807 [0,2,0,0,0,0|1,0,0]=3 10771 B14R1.38 CCOCCNC(=O)c1ccccc1 34a_200000158897_100000210202 [0,2,0,0,0,0|1,0,0]=3 10772 B14R1.38 CCOCCNC(=O)c1ccccc1 527a_100011200944_100000185807 [0,2,0,0,0,0|1,0,0]=3 10773 B14R1.38 CCOCCNC(=O)c1ccccc1 7a_200000158897_100000210202 [0,2,0,0,0,0|1,0,0]=3 10774 B14R1.38 CCOCCOC(=O)c1ccccc1 34a_100121572206_100009812718 [0,2,0,0,0,0|0,0,0]=2 10775 B14R1.38 CCOCCOC(=O)c1ccccc1 7a_100000025465_100000210202 [0,2,0,0,0,0|0,0,0]=2 10776 B14R1.38 CCOCCOC(C)c1ccccc1 34a_100000210136_100000211855 [0,2,0,0,0,0|1,0,1]=4 10777 B14R1.38 CCOCCOC(C)c1ccccc1 7a_100000210136_100000230085 [0,2,0,0,0,0|1,0,1]=4 10778 B14R1.38 CCOCCO[C@H](C)c1ccccc1 34a_100000761318_100000210147 [0,2,0,0,0,0|1,0,1]=4 10779 B14R1.38 CCOCCO[C@H](C)c1ccccc1 7a_100000761318_100011215890 [0,2,0,0,0,0|1,0,1]=4 10780 B14R1.38 CCOCSCC(=O)c1ccccc1 62a_100000211460_100000739092 [0,2,0,0,0,0|0,1,0]=3 10781 B14R1.38 CCOCSCC(=O)c1ccccc1 62a_100000739092_100000211460 [0,2,0,0,0,0|0,1,0]=3 10782 B14R1.38 CCOCSCC(=O)c1ccccn1 62a_100000027445_100000739092 [0,2,0,0,0,0|1,1,0]=4 10783 B14R1.38 CCOCSCC(=O)c1ccccn1 62a_100000739092_100000027445 [0,2,0,0,0,0|1,1,0]=4 10784 B14R1.38 CCOCSCC(=O)c1cccnc1 62a_100000739092_100000757877 [0,2,0,0,0,0|1,1,0]=4 10785 B14R1.38 CCOCSCC(=O)c1cccnc1 62a_100000757877_100000739092 [0,2,0,0,0,0|1,1,0]=4 10786 B14R1.38 CCOCSCC(=O)c1ccncc1 62a_100000027454_100000739092 [0,2,0,0,0,0|1,1,0]=4 10787 B14R1.38 CCOCSCC(=O)c1ccncc1 62a_100000739092_100000027454 [0,2,0,0,0,0|1,1,0]=4 10788 B14R1.38 CCOCSCS(=O)c1ccccc1 62a_100000739092_100000031784 [0,2,0,0,0,0|1,1,0]=4 10789 B14R1.38 CCSCCCC(=O)c1ccccc1 62a_100000210202_100000211006 [0,2,0,0,0,0|1,0,0]=3 10790 B14R1.38 CCSCCCC(=O)c1ccccc1 62a_100000211006_100000210202 [0,2,0,0,0,0|1,0,0]=3 10791 B14R1.38 CCSCCNC(=O)c1ccccc1 11a_100000106463_100000185807 [0,2,0,0,0,0|1,0,0]=3 10792 B14R1.38 CCSCCNC(=O)c1ccccc1 1626a_100000106463_100000185807 [0,2,0,0,0,0|1,0,0]=3 10793 B14R1.38 CCSCCNC(=O)c1ccccc1 240690a_100000106463_100000185807 [0,2,0,0,0,0|1,0,0]=3 10794 B14R1.38 CCSCCNC(=O)c1ccccc1 527a_100000106463_100000185807 [0,2,0,0,0,0|1,0,0]=3 10795 B14R1.38 CCSCCNC(=O)c1ccccc1 62a_100000210202_200011215302 [0,2,0,0,0,0|1,0,0]=3 10796 B14R1.38 CCSCCNC(=O)c1ccccc1 62a_200011215302_100000210202 [0,2,0,0,0,0|1,0,0]=3 10797 B14R1.38 CCSCCOC(=O)c1ccccc1 62a_100000210202_100009812718 [0,2,0,0,0,0|0,0,0]=2 10798 B14R1.38 CCSCCOC(=O)c1ccccc1 62a_100009812718_100000210202 [0,2,0,0,0,0|0,0,0]=2 10799 B14R1.38 CCSCCOC(C)c1ccccc1 34a_100000212035_100000211855 [0,2,0,0,0,0|1,0,1]=4 10800 B14R1.38 CCSCCOC(C)c1ccccc1 7a_100000212035_100000230085 [0,2,0,0,0,0|1,0,1]=4 10801 B14R1.38 CCSCCO[C@H](C)c1ccccc1 34a_100000761318_100000757381 [0,2,0,0,0,0|1,0,1]=4 10802 B14R1.38 CCSCCO[C@H](C)c1ccccc1 7a_100000761318_100000757381 [0,2,0,0,0,0|1,0,1]=4 10803 B14R1.38 CNCCCOC(=O)c1ccccc1 34a_100102657272_200009892979 [0,2,0,0,0,0|0,0,0]=2 10804 B14R1.38 CNCCCOC(=O)c1ccccc1 7a_106832991635_200009892979 [0,2,0,0,0,0|0,0,0]=2 10805 B14R1.38 CNCCCOC(C)c1ccccc1 2230a_100000206020_200000210301 [0,2,0,0,0,0|1,0,1]=4 10806 B14R1.38 CNCCCOC(C)c1ccccc1 34a_100000206020_200000210301 [0,2,0,0,0,0|1,0,1]=4 10807 B14R1.38 CNCCCOC(C)c1ccccc1 34a_100000213112_100000211855 [0,2,0,0,0,0|1,0,1]=4 10808 B14R1.38 COCCCCC(=O)c1ccccc1 1458a_100000185807_100000755781 [0,2,0,0,0,0|1,0,0]=3 10809 B14R1.38 COCCCNC(=O)c1ccccc1 1626a_100150723488_100000185807 [0,2,0,0,0,0|1,0,0]=3 10810 B14R1.38 COCCCNC(=O)c1ccccc1 240690a_100150723488_100000185807 [0,2,0,0,0,0|1,0,0]=3 10811 B14R1.38 COCCCNC(=O)c1ccccc1 527a_100150723488_100000185807 [0,2,0,0,0,0|1,0,0]=3 10812 B14R1.38 COCCCOC(=O)c1ccccc1 34a_100138415774_200009892979 [0,2,0,0,0,0|0,0,0]=2 10813 B14R1.38 COCCCOC(C)c1ccccc1 34a_100000740835_100000211855 [0,2,0,0,0,0|1,0,1]=4 10814 B14R1.38 COCCCO[C@H](C)c1ccccc1 34a_100000761318_100000740836 [0,2,0,0,0,0|1,0,1]=4 10815 B14R1.38 COCCCO[C@H](C)c1ccccc1 7a_100000761318_100000740836 [0,2,0,0,0,0|1,0,1]=4 10816 B14R1.38 COCCNNC(=O)c1ccccc1 22a_100000741390_100000185807 [0,2,0,0,0,0|1,0,0]=3 10817 B14R1.38 COCCOCC(=O)c1ccccn1 34a_100000210237_100000027445 [0,2,0,0,0,0|1,0,0]=3 10818 B14R1.38 COCCOCC(C)c1ccccc1 34a_100000210237_100000756946 [0,2,0,0,0,0|1,0,1]=4 10819 B14R1.38 COCCOCC(C)c1ccccc1 34a_100011215166_100011201679 [0,2,0,0,0,0|1,0,1]=4 10820 B14R1.38 COCCOCC(C)c1ccccc1 7a_100011215166_100000233755 [0,2,0,0,0,0|1,0,1]=4 10821 B14R1.38 COCCOCC(O)c1ccccc1 34a_100000210237_100000185958 [0,2,0,0,0,0|0,0,2]=4 10822 B14R1.38 COCCOCN(C)c1ccccc1 2230a_100000210012_100000231047 [0,2,0,0,0,0|2,0,0]=4 10823 B14R1.38 COCCOCN(C)c1ccccc1 269982a_100000210012_100000231047 [0,2,0,0,0,0|2,0,0]=4 10824 B14R1.38 COCCOC[C@@H](N)c1ccccc1 34a_100000751927_100011201679 [0,2,0,0,0,0|1,0,1]=4 10825 B14R1.38 COCCOC[C@@H](O)c1ccccc1 34a_100000210237_100011933945 [0,2,0,0,0,0|0,0,2]=4 10826 B14R1.38 COCCSCC(=O)c1ccccc1 62a_100000211460_100000233755 [0,2,0,0,0,0|0,1,0]=3 10827 B14R1.38 COCCSCC(=O)c1ccccc1 62a_100000233755_100000211460 [0,2,0,0,0,0|0,1,0]=3 10828 B14R1.38 COCCSCC(=O)c1ccccn1 62a_100000027445_100000233755 [0,2,0,0,0,0|1,1,0]=4 10829 B14R1.38 COCCSCC(=O)c1ccccn1 62a_100000233755_100000027445 [0,2,0,0,0,0|1,1,0]=4 10830 B14R1.38 COCCSCC(=O)c1cccnc1 62a_100000233755_100000757877 [0,2,0,0,0,0|1,1,0]=4 10831 B14R1.38 COCCSCC(=O)c1cccnc1 62a_100000757877_100000233755 [0,2,0,0,0,0|1,1,0]=4 10832 B14R1.38 COCCSCC(=O)c1ccncc1 62a_100000027454_100000233755 [0,2,0,0,0,0|1,1,0]=4 10833 B14R1.38 COCCSCC(=O)c1ccncc1 62a_100000233755_100000027454 [0,2,0,0,0,0|1,1,0]=4 10834 B14R1.38 COCCSCS(=O)c1ccccc1 62a_100000233755_100000031784 [0,2,0,0,0,0|1,1,0]=4 10835 B14R1.38 COCSCCC(=O)c1ccccc1 62a_100000750707_100000766300 [0,2,0,0,0,0|1,0,0]=3 10836 B14R1.38 COCSCCC(=O)c1ccccc1 62a_100000766300_100000750707 [0,2,0,0,0,0|1,0,0]=3 10837 B14R1.38 COCSCCS(=O)c1ccccc1 62a_100000766300_100000740319 [0,2,0,0,0,0|2,0,0]=4 10838 B14R1.38 COCSCOC(=O)c1ccccc1 62a_100000073877_100000766300 [0,2,0,0,0,0|0,0,0]=2 10839 B14R1.38 COCSCOC(=O)c1ccccc1 62a_100000766300_100000073877 [0,2,0,0,0,0|0,0,0]=2 10840 B14R1.38 CSCCCNC(=O)c1ccccc1 11a_100000749238_100000185807 [0,2,0,0,0,0|1,0,0]=3 10841 B14R1.38 CSCCCNC(=O)c1ccccc1 1626a_100000749238_100000185807 [0,2,0,0,0,0|1,0,0]=3 10842 B14R1.38 CSCCCNC(=O)c1ccccc1 240690a_100000749238_100000185807 [0,2,0,0,0,0|1,0,0]=3 10843 B14R1.38 CSCCCNC(=O)c1ccccc1 527a_100000749238_100000185807 [0,2,0,0,0,0|1,0,0]=3 10844 B14R1.38 CSCCCOC(=O)c1ccccc1 62a_200000210301_200009892979 [0,2,0,0,0,0|0,0,0]=2 10845 B14R1.38 CSCCCOC(=O)c1ccccc1 62a_200009892979_200000210301 [0,2,0,0,0,0|0,0,0]=2 10846 B14R1.38 CSCCCOC(C)c1ccccc1 34a_100000690336_100000211855 [0,2,0,0,0,0|1,0,1]=4 10847 B14R1.38 CSCCCOC(C)c1ccccc1 7a_100000690336_100000230085 [0,2,0,0,0,0|1,0,1]=4 10848 B14R1.38 CSCCOCC(=O)c1ccccc1 7a_100000230434_100000211460 [0,2,0,0,0,0|0,0,0]=2 10849 B14R1.38 CSCCOCC(=O)c1ccccn1 34a_100000230434_100000027445 [0,2,0,0,0,0|1,0,0]=3 10850 B14R1.38 CSCCOCC(=O)c1ccccn1 7a_100000230434_100000027445 [0,2,0,0,0,0|1,0,0]=3 10851 B14R1.38 CSCCOCC(=O)c1ccncc1 7a_100000230434_100015248511 [0,2,0,0,0,0|1,0,0]=3 10852 B14R1.38 CSCCOCC(C)c1ccccc1 34a_100000230434_100000756946 [0,2,0,0,0,0|1,0,1]=4 10853 B14R1.38 CSCCOCC(C)c1ccccc1 34a_100011215166_100000212216 [0,2,0,0,0,0|1,0,1]=4 10854 B14R1.38 CSCCOCC(C)c1ccccc1 7a_100000230434_100000756946 [0,2,0,0,0,0|1,0,1]=4 10855 B14R1.38 CSCCOCC(C)c1ccccc1 7a_100011215166_100000212216 [0,2,0,0,0,0|1,0,1]=4 10856 B14R1.38 CSCCOCC(O)c1ccccc1 34a_100000230434_100000185958 [0,2,0,0,0,0|0,0,2]=4 10857 B14R1.38 CSCCOCC(O)c1ccccc1 7a_100000230434_100000185958 [0,2,0,0,0,0|0,0,2]=4 10858 B14R1.38 CSCCOC[C@@H](N)c1ccccc1 34a_100000751927_100000212216 [0,2,0,0,0,0|1,0,1]=4 10859 B14R1.38 CSCCOC[C@@H](O)c1ccccc1 34a_100000230434_100011933945 [0,2,0,0,0,0|0,0,2]=4 10860 B14R1.38 CSCCOC[C@@H](O)c1ccccc1 7a_100000230434_100011933945 [0,2,0,0,0,0|0,0,2]=4 10861 B14R1.38 CSCCSCC(=O)c1ccccc1 62a_100000211460_100000751147 [0,2,0,0,0,0|0,1,0]=3 10862 B14R1.38 CSCCSCC(=O)c1ccccc1 62a_100000212216_100000211460 [0,2,0,0,0,0|0,1,0]=3 10863 B14R1.38 CSCCSCC(=O)c1ccccn1 62a_100000027445_100000751147 [0,2,0,0,0,0|1,1,0]=4 10864 B14R1.38 CSCCSCC(=O)c1ccccn1 62a_100000212216_100000027445 [0,2,0,0,0,0|1,1,0]=4 10865 B14R1.38 CSCCSCC(=O)c1cccnc1 62a_100000212216_100000757877 [0,2,0,0,0,0|1,1,0]=4 10866 B14R1.38 CSCCSCC(=O)c1cccnc1 62a_100000757877_100000751147 [0,2,0,0,0,0|1,1,0]=4 10867 B14R1.38 CSCCSCC(=O)c1ccncc1 62a_100000027454_100000751147 [0,2,0,0,0,0|1,1,0]=4 10868 B14R1.38 CSCCSCC(=O)c1ccncc1 62a_100000212216_100000027454 [0,2,0,0,0,0|1,1,0]=4 10869 B14R1.38 CSCCSCS(=O)c1ccccc1 62a_100000212216_100000031784 [0,2,0,0,0,0|1,1,0]=4 10870 B14R1.38 CSCSCCC(=O)c1ccccc1 62a_100000750707_100011218213 [0,2,0,0,0,0|1,0,0]=3 10871 B14R1.38 CSCSCCC(=O)c1ccccc1 62a_100011218213_100000750707 [0,2,0,0,0,0|1,0,0]=3 10872 B14R1.38 CSCSCCS(=O)c1ccccc1 62a_100011218213_100000740319 [0,2,0,0,0,0|2,0,0]=4 10873 B14R1.38 CSCSCOC(=O)c1ccccc1 62a_100000073877_100011218213 [0,2,0,0,0,0|0,0,0]=2 10874 B14R1.38 CSCSCOC(=O)c1ccccc1 62a_100011218213_100000073877 [0,2,0,0,0,0|0,0,0]=2 10875 B14R1.38 C[C@@H](OCCCC#N)c1ccccc1 7a_100000761318_100000687738 [0,2,0,0,0,0|1,0,1]=4 10876 B14R1.38 C[C@@H](OCCCC=O)c1ccccc1 7a_100000761318_200011292268 [0,2,0,0,0,0|1,0,1]=4 10877 B14R1.38 C[C@@H](OCCCCF)c1ccccc1 34a_100000761318_100000729493 [0,2,0,0,0,0|1,0,1]=4 10878 B14R1.38 C[C@@H](OCCCCF)c1ccccc1 7a_100000761318_100000729493 [0,2,0,0,0,0|1,0,1]=4 10879 B14R1.38 C[C@@H](OCCCCO)c1ccccc1 34a_100000761318_100011216708 [0,2,0,0,0,0|1,0,1]=4 10880 B14R1.38 C[C@@H](OCCCCO)c1ccccc1 7a_100000761318_100000210776 [0,2,0,0,0,0|1,0,1]=4 10881 B14R1.38 N#CCCCCC(=O)c1ccccc1 1458a_100000185807_100000211819 [0,2,0,0,0,0|1,0,0]=3 10882 B14R1.38 N#CCCNNC(=O)c1ccccc1 22a_100000229987_100000185807 [0,2,0,0,0,0|1,0,1]=4 10883 B14R1.38 N#CCCSCC(=O)c1ccccc1 62a_100000211460_100011215226 [0,2,0,0,0,0|0,1,1]=4 10884 B14R1.38 N#CCCSCC(=O)c1ccccc1 62a_100011215226_100000211460 [0,2,0,0,0,0|0,1,1]=4 10885 B14R1.38 N#CCOCCC(=O)c1ccccc1 1458a_100000185807_200000047693 [0,2,0,0,0,0|1,0,1]=4 10886 B14R1.38 N#CCSCCC(=O)c1ccccc1 62a_100000750707_100011215382 [0,2,0,0,0,0|1,0,1]=4 10887 B14R1.38 N#CCSCCC(=O)c1ccccc1 62a_100011215382_100000750707 [0,2,0,0,0,0|1,0,1]=4 10888 B14R1.38 N#CCSCOC(=O)c1ccccc1 62a_100000073877_100011215382 [0,2,0,0,0,0|0,0,1]=3 10889 B14R1.38 N#CCSCOC(=O)c1ccccc1 62a_100011215382_100000073877 [0,2,0,0,0,0|0,0,1]=3 10890 B14R1.38 NCCCOCC(=O)c1ccccn1 34a_100000182051_100000027445 [0,2,0,0,0,0|1,0,0]=3 10891 B14R1.38 NCCCOCC(O)c1ccccc1 34a_100000182051_100000185958 [0,2,0,0,0,0|0,0,2]=4 10892 B14R1.38 NCCCOC[C@@H](O)c1ccccc1 34a_100000182051_100011933945 [0,2,0,0,0,0|0,0,2]=4 10893 B14R1.38 NOCCOCC(=O)c1ccccn1 34a_100000700252_100000027445 [0,2,0,0,0,0|2,0,0]=4 10894 B14R1.38 N[C@H](COCCCF)c1ccccc1 34a_100000751927_100011934791 [0,2,0,0,0,0|1,0,1]=4 10895 B14R1.38 N[C@H](COCCCO)c1ccccc1 34a_100000751927_100000230001 [0,2,0,0,0,0|1,0,1]=4 10896 B14R1.38 O=C(CCCCCF)c1ccccc1 1458a_100000185807_100000729378 [0,2,0,0,0,0|1,0,0]=3 10897 B14R1.38 O=C(CCCCCO)c1ccccc1 1458a_100000185807_100000746330 [0,2,0,0,0,0|1,0,0]=3 10898 B14R1.38 O=C(CCCSCF)c1ccccc1 62a_100000211006_100015361967 [0,2,0,0,0,0|1,0,0]=3 10899 B14R1.38 O=C(CCCSCF)c1ccccc1 62a_100015361967_100000211006 [0,2,0,0,0,0|1,0,0]=3 10900 B14R1.38 O=C(CCNCCO)c1ccccc1 2230a_100016997473_100000750707 [0,2,0,0,0,0|1,0,0]=3 10901 B14R1.38 O=C(CCOCCO)c1ccccc1 1458a_100000185807_100011215305 [0,2,0,0,0,0|1,0,0]=3 10902 B14R1.38 O=C(CCSCCF)c1ccccc1 62a_100000750707_100011217306 [0,2,0,0,0,0|1,0,0]=3 10903 B14R1.38 O=C(CCSCCF)c1ccccc1 62a_100011217306_100000750707 [0,2,0,0,0,0|1,0,0]=3 10904 B14R1.38 O=C(CCSCCO)c1ccccc1 62a_100000211926_100000750707 [0,2,0,0,0,0|1,0,0]=3 10905 B14R1.38 O=C(CCSCCO)c1ccccc1 62a_100000750707_100000211926 [0,2,0,0,0,0|1,0,0]=3 10906 B14R1.38 O=C(CNCCCF)c1ccccn1 34a_100015189416_100000027445 [0,2,0,0,0,0|2,0,0]=4 10907 B14R1.38 O=C(COCCCBr)c1ccccn1 34a_100011217188_100000027445 [0,2,0,0,0,0|1,0,0]=3 10908 B14R1.38 O=C(COCCCCl)c1ccccn1 34a_100000230001_100000027445 [0,2,0,0,0,0|1,0,0]=3 10909 B14R1.38 O=C(COCCCF)c1ccccn1 34a_100000759539_100000027445 [0,2,0,0,0,0|1,0,0]=3 10910 B14R1.38 O=C(CSCCCF)c1ccccc1 62a_100000211460_100011934791 [0,2,0,0,0,0|0,1,0]=3 10911 B14R1.38 O=C(CSCCCF)c1ccccc1 62a_100011934791_100000211460 [0,2,0,0,0,0|0,1,0]=3 10912 B14R1.38 O=C(CSCCCF)c1ccccn1 62a_100000027445_100011934791 [0,2,0,0,0,0|1,1,0]=4 10913 B14R1.38 O=C(CSCCCF)c1ccccn1 62a_100011934791_100000027445 [0,2,0,0,0,0|1,1,0]=4 10914 B14R1.38 O=C(CSCCCF)c1cccnc1 62a_100000757877_100011934791 [0,2,0,0,0,0|1,1,0]=4 10915 B14R1.38 O=C(CSCCCF)c1cccnc1 62a_100011934791_100000757877 [0,2,0,0,0,0|1,1,0]=4 10916 B14R1.38 O=C(CSCCCF)c1ccncc1 62a_100000027454_100011934791 [0,2,0,0,0,0|1,1,0]=4 10917 B14R1.38 O=C(CSCCCF)c1ccncc1 62a_100011934791_100000027454 [0,2,0,0,0,0|1,1,0]=4 10918 B14R1.38 O=C(CSCCCO)c1ccccc1 62a_100000211460_100011215043 [0,2,0,0,0,0|0,1,0]=3 10919 B14R1.38 O=C(CSCCCO)c1ccccc1 62a_100011215043_100000211460 [0,2,0,0,0,0|0,1,0]=3 10920 B14R1.38 O=C(CSCCCO)c1ccccn1 62a_100000027445_100011215043 [0,2,0,0,0,0|1,1,0]=4 10921 B14R1.38 O=C(CSCCCO)c1ccccn1 62a_100011215043_100000027445 [0,2,0,0,0,0|1,1,0]=4 10922 B14R1.38 O=C(CSCCCO)c1cccnc1 62a_100000757877_100011215043 [0,2,0,0,0,0|1,1,0]=4 10923 B14R1.38 O=C(CSCCCO)c1cccnc1 62a_100011215043_100000757877 [0,2,0,0,0,0|1,1,0]=4 10924 B14R1.38 O=C(CSCCCO)c1ccncc1 62a_100000027454_100011215043 [0,2,0,0,0,0|1,1,0]=4 10925 B14R1.38 O=C(CSCCCO)c1ccncc1 62a_100011215043_100000027454 [0,2,0,0,0,0|1,1,0]=4 10926 B14R1.38 O=C(NCCCCO)c1ccccc1 240690a_100000750430_100000185807 [0,2,0,0,0,0|1,0,0]=3 10927 B14R1.38 O=C(NCCCCO)c1ccccc1 527a_100000750430_100000185807 [0,2,0,0,0,0|1,0,0]=3 10928 B14R1.38 O=C(NCCOCF)c1ccccc1 34a_200000158897_100015361967 [0,2,0,0,0,0|1,0,0]=3 10929 B14R1.38 O=C(NCCOCF)c1ccccc1 7a_200000158897_100015361967 [0,2,0,0,0,0|1,0,0]=3 10930 B14R1.38 O=C(NCCSCF)c1ccccc1 62a_100015361967_200011215302 [0,2,0,0,0,0|1,0,0]=3 10931 B14R1.38 O=C(NCCSCF)c1ccccc1 62a_200011215302_100015361967 [0,2,0,0,0,0|1,0,0]=3 10932 B14R1.38 O=C(OCCOCF)c1ccccc1 7a_100000025465_100015361967 [0,2,0,0,0,0|0,0,0]=2 10933 B14R1.38 O=C(OCCSCF)c1ccccc1 62a_100009812718_100015361967 [0,2,0,0,0,0|0,0,0]=2 10934 B14R1.38 O=C(OCCSCF)c1ccccc1 62a_100015361967_100009812718 [0,2,0,0,0,0|0,0,0]=2 10935 B14R1.38 O=C(OCSCCF)c1ccccc1 62a_100000073877_100011217306 [0,2,0,0,0,0|0,0,0]=2 10936 B14R1.38 O=C(OCSCCF)c1ccccc1 62a_100011217306_100000073877 [0,2,0,0,0,0|0,0,0]=2 10937 B14R1.38 O=C(OCSCCO)c1ccccc1 62a_100000073877_100000211926 [0,2,0,0,0,0|0,0,0]=2 10938 B14R1.38 O=C(OCSCCO)c1ccccc1 62a_100000211926_100000073877 [0,2,0,0,0,0|0,0,0]=2 10939 B14R1.38 O=CCSCCC(=O)c1ccccc1 62a_100000750707_200015260668 [0,2,0,0,0,0|1,0,1]=4 10940 B14R1.38 O=CCSCCC(=O)c1ccccc1 62a_200015260668_100000750707 [0,2,0,0,0,0|1,0,1]=4 10941 B14R1.38 O=CCSCOC(=O)c1ccccc1 62a_100000073877_200015260668 [0,2,0,0,0,0|0,0,1]=3 10942 B14R1.38 O=CCSCOC(=O)c1ccccc1 62a_200015260668_100000073877 [0,2,0,0,0,0|0,0,1]=3 10943 B14R1.38 O=S(CCNCCO)c1ccccc1 2230a_100016997473_100000740319 [0,2,0,0,0,0|2,0,0]=4 10944 B14R1.38 O=S(CCSCCF)c1ccccc1 62a_100011217306_100000740319 [0,2,0,0,0,0|2,0,0]=4 10945 B14R1.38 O=S(CCSCCO)c1ccccc1 62a_100000211926_100000740319 [0,2,0,0,0,0|2,0,0]=4 10946 B14R1.38 O=S(CSCCCF)c1ccccc1 62a_100011934791_100000031784 [0,2,0,0,0,0|1,1,0]=4 10947 B14R1.38 O=S(CSCCCO)c1ccccc1 62a_100011215043_100000031784 [0,2,0,0,0,0|1,1,0]=4 10948 B14R1.38 OC(COCCCBr)c1ccccc1 34a_100011217188_100000185958 [0,2,0,0,0,0|0,0,2]=4 10949 B14R1.38 OC(COCCCCl)c1ccccc1 34a_100000230001_100000185958 [0,2,0,0,0,0|0,0,2]=4 10950 B14R1.38 OC(COCCCF)c1ccccc1 34a_100000759539_100000185958 [0,2,0,0,0,0|0,0,2]=4 10951 B14R1.38 O[C@H](COCCCBr)c1ccccc1 34a_100011217188_100011933945 [0,2,0,0,0,0|0,0,2]=4 10952 B14R1.38 O[C@H](COCCCCl)c1ccccc1 34a_100000230001_100011933945 [0,2,0,0,0,0|0,0,2]=4 10953 B14R1.38 O[C@H](COCCCF)c1ccccc1 34a_100000759539_100011933945 [0,2,0,0,0,0|0,0,2]=4 10954 B14R1.38 [13CH3]SCCCOC(=O)c1ccccc1 62a_200009892979_200025704644 [0,2,0,0,0,0|0,0,0]=2 10955 B14R1.38 [13CH3]SCCCOC(=O)c1ccccc1 62a_200025704644_200009892979 [0,2,0,0,0,0|0,0,0]=2 10956 B14R1.46 CC(C)(OCCCF)c1ccccc1 7a_100000694644_100011934791 [0,2,0,0,0,0|1,0,1]=4 10957 B14R1.46 CC(C)(OCCCO)c1ccccc1 7a_100000694644_100011215043 [0,2,0,0,0,0|1,0,1]=4 10958 B14R1.46 CCCCNS(=O)(=O)c1ccccc1 270084a_100000102301_100000210345 [0,2,0,0,0,0|2,0,0]=4 10959 B14R1.46 CCCCNS(=O)(=O)c1ccccc1 274078a_100000102301_100000210345 [0,2,0,0,0,0|2,0,0]=4 10960 B14R1.46 CCCCNS(=O)(=O)c1ccccc1 40a_100000102301_100000032697 [0,2,0,0,0,0|2,0,0]=4 10961 B14R1.46 CCCCOC(C)(C)c1ccccc1 7a_100000694644_100000210211 [0,2,0,0,0,0|1,0,1]=4 10962 B14R1.46 CCCCOC(F)(F)c1ccccc1 7a_100000210227_100000036403 [0,2,0,0,0,0|1,0,1]=4 10963 B14R1.46 CCCNNS(=O)(=O)c1ccccc1 40a_100000740057_100000032697 [0,2,0,0,0,0|2,0,0]=4 10964 B14R1.46 CCCOCC(C)(C)c1ccccc1 7a_100000747608_100000210303 [0,2,0,0,0,0|1,0,1]=4 10965 B14R1.46 CCCOCC(F)(F)c1ccccc1 34a_100000210258_100009875531 [0,2,0,0,0,0|1,0,1]=4 10966 B14R1.46 CCCOCS(=O)(=O)c1ccccc1 34a_100000210258_200009813291 [0,2,0,0,0,0|1,0,0]=3 10967 B14R1.46 CCCSCS(=O)(=O)c1ccccc1 62a_100000210303_100000240042 [0,2,0,0,0,0|1,1,0]=4 10968 B14R1.46 CCCSCS(=O)(=O)c1ccccc1 62a_100000240042_100000210303 [0,2,0,0,0,0|1,1,0]=4 10969 B14R1.46 CCNCCS(=O)(=O)c1ccccc1 2230a_100000168333_100000210202 [0,2,0,0,0,0|2,0,0]=4 10970 B14R1.46 CCNCCS(=O)(=O)c1ccccc1 2230a_100015525214_100000229977 [0,2,0,0,0,0|2,0,0]=4 10971 B14R1.46 CCOCCS(=O)(=O)c1ccccc1 34a_200011215558_100000210202 [0,2,0,0,0,0|2,0,0]=4 10972 B14R1.46 CCOCCS(=O)(=O)c1ccccc1 7a_200011215558_100000210202 [0,2,0,0,0,0|2,0,0]=4 10973 B14R1.46 CCSCCS(=O)(=O)c1ccccc1 62a_100000210202_100000229977 [0,2,0,0,0,0|2,0,0]=4 10974 B14R1.46 CCSCCS(=O)(=O)c1ccccc1 62a_100000229977_100000210202 [0,2,0,0,0,0|2,0,0]=4 10975 B14R1.46 CNCCNS(=O)(=O)c1ccccc1 2230a_100000736423_200000210301 [0,2,0,0,0,0|2,0,0]=4 10976 B14R1.46 CNCCNS(=O)(=O)c1ccccc1 34a_100000736423_200000210301 [0,2,0,0,0,0|2,0,0]=4 10977 B14R1.46 CNCCOS(=O)(=O)c1ccccc1 34a_100102657272_200000070464 [0,2,0,0,0,0|1,0,0]=3 10978 B14R1.46 CNCCOS(=O)(=O)c1ccccc1 7a_106832991635_200000070464 [0,2,0,0,0,0|1,0,0]=3 10979 B14R1.46 COCCNS(=O)(=O)c1ccccc1 270084a_100000209980_100000210345 [0,2,0,0,0,0|2,0,0]=4 10980 B14R1.46 COCCNS(=O)(=O)c1ccccc1 274078a_100000209980_100000210345 [0,2,0,0,0,0|2,0,0]=4 10981 B14R1.46 COCCNS(=O)(=O)c1ccccc1 40a_100000209980_100000032697 [0,2,0,0,0,0|2,0,0]=4 10982 B14R1.46 COCCOC(C)(C)c1ccccc1 7a_100000694644_100000233755 [0,2,0,0,0,0|1,0,1]=4 10983 B14R1.46 COCCOS(=O)(=O)c1ccccc1 34a_100138415774_200000070464 [0,2,0,0,0,0|1,0,0]=3 10984 B14R1.46 CSCCNS(=O)(=O)c1ccccc1 270084a_100020590264_100000210345 [0,2,0,0,0,0|2,0,0]=4 10985 B14R1.46 CSCCNS(=O)(=O)c1ccccc1 274078a_100020590264_100000210345 [0,2,0,0,0,0|2,0,0]=4 10986 B14R1.46 CSCCNS(=O)(=O)c1ccccc1 40a_100020590264_100000032697 [0,2,0,0,0,0|2,0,0]=4 10987 B14R1.46 CSCCOC(C)(C)c1ccccc1 7a_100000694644_100000212216 [0,2,0,0,0,0|1,0,1]=4 10988 B14R1.46 CSCCOC(F)(F)c1ccccc1 7a_100000230434_100000036403 [0,2,0,0,0,0|1,0,1]=4 10989 B14R1.46 CSCCOS(=O)(=O)c1ccccc1 62a_200000210301_200000070464 [0,2,0,0,0,0|1,0,0]=3 10990 B14R1.46 NCCOCS(=O)(=O)c1ccccc1 34a_100000210304_200009813291 [0,2,0,0,0,0|2,0,0]=4 10991 B14R1.46 O=S(=O)(COCCBr)c1ccccc1 34a_100000211926_200009813291 [0,2,0,0,0,0|2,0,0]=4 10992 B14R1.46 O=S(=O)(NCCCF)c1ccccc1 270084a_100015189416_100000210345 [0,2,0,0,0,0|2,0,0]=4 10993 B14R1.46 O=S(=O)(NCCCF)c1ccccc1 274078a_100015189416_100000210345 [0,2,0,0,0,0|2,0,0]=4 10994 B14R1.46 O=S(=O)(NCCCF)c1ccccc1 40a_100015189416_100000032697 [0,2,0,0,0,0|2,0,0]=4 10995 B14R1.46 O=S(=O)(NCCCO)c1ccccc1 270084a_100000182051_100000210345 [0,2,0,0,0,0|2,0,0]=4 10996 B14R1.46 O=S(=O)(NCCCO)c1ccccc1 274078a_100000182051_100000210345 [0,2,0,0,0,0|2,0,0]=4 10997 B14R1.46 O=S(=O)(NCCCO)c1ccccc1 40a_100000182051_100000032697 [0,2,0,0,0,0|2,0,0]=4 10998 B14R1.46 [13CH3]NCCNS(=O)(=O)c1ccccc1 2230a_100000736423_200025704644 [0,2,0,0,0,0|2,0,0]=4 10999 B14R1.46 [13CH3]NCCNS(=O)(=O)c1ccccc1 34a_100000736423_200025704644 [0,2,0,0,0,0|2,0,0]=4 11000 B14R1.46 [13CH3]SCCOS(=O)(=O)c1ccccc1 62a_200025704644_200000070464 [0,2,0,0,0,0|1,0,0]=3 11001 B14R1.121 C#CC(OCCCC)c1ccccc1 34a_100011219616_100000210210 [0,2,0,0,0,0|1,0,1]=4 11002 B14R1.121 C#CC(OCCCC)c1ccccc1 7a_100011219616_100000210211 [0,2,0,0,0,0|1,0,1]=4 11003 B14R1.121 C#CC(OCCCF)c1ccccc1 34a_100011219616_100011934791 [0,2,0,0,0,0|1,0,1]=4 11004 B14R1.121 C#CC(OCCCF)c1ccccc1 7a_100011219616_100011934791 [0,2,0,0,0,0|1,0,1]=4 11005 B14R1.121 C#CC(OCCCO)c1ccccc1 34a_100011219616_100000230001 [0,2,0,0,0,0|1,0,1]=4 11006 B14R1.121 C#CC(OCCCO)c1ccccc1 7a_100011219616_100011215043 [0,2,0,0,0,0|1,0,1]=4 11007 B14R1.121 C#CC(OCCOC)c1ccccc1 34a_100011219616_100011201679 [0,2,0,0,0,0|1,0,1]=4 11008 B14R1.121 C#CC(OCCOC)c1ccccc1 7a_100011219616_100000233755 [0,2,0,0,0,0|1,0,1]=4 11009 B14R1.121 C#CC(OCCSC)c1ccccc1 34a_100011219616_100000212216 [0,2,0,0,0,0|1,0,1]=4 11010 B14R1.121 C#CC(OCCSC)c1ccccc1 7a_100011219616_100000212216 [0,2,0,0,0,0|1,0,1]=4 11011 B14R1.121 C=CC(=NNCCC)c1ccccc1 4a_100000740057_200000750708 [0,2,0,0,0,0|2,0,0]=4 11012 B14R1.121 C=CC(OCCCC)c1ccccc1 34a_100011215659_100000210210 [0,2,0,0,0,0|1,0,1]=4 11013 B14R1.121 C=CC(OCCCC)c1ccccc1 7a_100011215659_100000210211 [0,2,0,0,0,0|1,0,1]=4 11014 B14R1.121 C=CC(OCCCF)c1ccccc1 34a_100011215659_100011934791 [0,2,0,0,0,0|1,0,1]=4 11015 B14R1.121 C=CC(OCCCF)c1ccccc1 7a_100011215659_100011934791 [0,2,0,0,0,0|1,0,1]=4 11016 B14R1.121 C=CC(OCCCO)c1ccccc1 34a_100011215659_100000230001 [0,2,0,0,0,0|1,0,1]=4 11017 B14R1.121 C=CC(OCCCO)c1ccccc1 7a_100011215659_100011215043 [0,2,0,0,0,0|1,0,1]=4 11018 B14R1.121 C=CC(OCCOC)c1ccccc1 34a_100011215659_100011201679 [0,2,0,0,0,0|1,0,1]=4 11019 B14R1.121 C=CC(OCCOC)c1ccccc1 7a_100011215659_100000233755 [0,2,0,0,0,0|1,0,1]=4 11020 B14R1.121 C=CC(OCCSC)c1ccccc1 34a_100011215659_100000212216 [0,2,0,0,0,0|1,0,1]=4 11021 B14R1.121 C=CC(OCCSC)c1ccccc1 7a_100011215659_100000212216 [0,2,0,0,0,0|1,0,1]=4 11022 B14R1.121 CCC(OCCCF)c1ccccc1 34a_100000698172_100011934791 [0,2,0,0,0,0|1,0,1]=4 11023 B14R1.121 CCC(OCCCF)c1ccccc1 7a_100000698172_100011934791 [0,2,0,0,0,0|1,0,1]=4 11024 B14R1.121 CCC(OCCCO)c1ccccc1 34a_100000698172_100000230001 [0,2,0,0,0,0|1,0,1]=4 11025 B14R1.121 CCC(OCCCO)c1ccccc1 7a_100000698172_100011215043 [0,2,0,0,0,0|1,0,1]=4 11026 B14R1.121 CCC(OCCOC)c1ccccc1 34a_100000698172_100011201679 [0,2,0,0,0,0|1,0,1]=4 11027 B14R1.121 CCC(OCCOC)c1ccccc1 7a_100000698172_100000233755 [0,2,0,0,0,0|1,0,1]=4 11028 B14R1.121 CCC(OCCSC)c1ccccc1 34a_100000698172_100000212216 [0,2,0,0,0,0|1,0,1]=4 11029 B14R1.121 CCC(OCCSC)c1ccccc1 7a_100000698172_100000212216 [0,2,0,0,0,0|1,0,1]=4 11030 B14R1.121 CCCCOC(C#N)c1ccccc1 7a_100011217353_100000210211 [0,2,0,0,0,0|1,0,1]=4 11031 B14R1.121 CCCCOC(CBr)c1ccccc1 7a_100000185958_100000210211 [0,2,0,0,0,0|1,0,1]=4 11032 B14R1.121 CCCCOC(CC)c1ccccc1 34a_100000698172_100000210210 [0,2,0,0,0,0|1,0,1]=4 11033 B14R1.121 CCCCOC(CC)c1ccccc1 7a_100000698172_100000210211 [0,2,0,0,0,0|1,0,1]=4 11034 B14R1.121 CCCCOC(CN)c1ccccc1 34a_100000210709_100000210210 [0,2,0,0,0,0|1,0,1]=4 11035 B14R1.121 CCCCO[C@H](CCl)c1ccccc1 34a_100011933945_100000210210 [0,2,0,0,0,0|1,0,1]=4 11036 B14R1.121 CCCCO[C@H](CCl)c1ccccc1 7a_100011933945_100000210211 [0,2,0,0,0,0|1,0,1]=4 11037 B14R1.121 CCCNN=C(CC)c1ccccc1 4a_100000740057_100000210124 [0,2,0,0,0,0|2,0,0]=4 11038 B14R1.121 CCCNN=C(CF)c1ccccc1 4a_100000740057_100000069468 [0,2,0,0,0,0|2,0,0]=4 11039 B14R1.121 CCCNN=C(CO)c1ccccc1 4a_100000740057_100000748912 [0,2,0,0,0,0|1,0,1]=4 11040 B14R1.121 CCCOCC(CC)c1ccccc1 34a_100000752371_100000210303 [0,2,0,0,0,0|1,0,1]=4 11041 B14R1.121 CCCOCC(CC)c1ccccc1 7a_100000752371_100000210303 [0,2,0,0,0,0|1,0,1]=4 11042 B14R1.121 CCCOCC(OC)c1ccccc1 34a_100011215540_100000210303 [0,2,0,0,0,0|0,0,2]=4 11043 B14R1.121 CCCOCC(OC)c1ccccc1 7a_100011215540_100000210303 [0,2,0,0,0,0|0,0,2]=4 11044 B14R1.121 COCCOC(C#N)c1ccccc1 7a_100011217353_100000233755 [0,2,0,0,0,0|1,0,1]=4 11045 B14R1.121 COCCOC(CBr)c1ccccc1 7a_100000185958_100000233755 [0,2,0,0,0,0|1,0,1]=4 11046 B14R1.121 COCCOC(CN)c1ccccc1 34a_100000210709_100011201679 [0,2,0,0,0,0|1,0,1]=4 11047 B14R1.121 COCCO[C@H](CCl)c1ccccc1 34a_100011933945_100011201679 [0,2,0,0,0,0|1,0,1]=4 11048 B14R1.121 COCCO[C@H](CCl)c1ccccc1 7a_100011933945_100000233755 [0,2,0,0,0,0|1,0,1]=4 11049 B14R1.121 CSCCOC(C#N)c1ccccc1 7a_100011217353_100000212216 [0,2,0,0,0,0|1,0,1]=4 11050 B14R1.121 CSCCOC(CBr)c1ccccc1 7a_100000185958_100000212216 [0,2,0,0,0,0|1,0,1]=4 11051 B14R1.121 CSCCOC(CN)c1ccccc1 34a_100000210709_100000212216 [0,2,0,0,0,0|1,0,1]=4 11052 B14R1.121 CSCCO[C@H](CCl)c1ccccc1 34a_100011933945_100000212216 [0,2,0,0,0,0|1,0,1]=4 11053 B14R1.121 CSCCO[C@H](CCl)c1ccccc1 7a_100011933945_100000212216 [0,2,0,0,0,0|1,0,1]=4 11054 B14R1.121 FCCCOC(CBr)c1ccccc1 7a_100000185958_100011934791 [0,2,0,0,0,0|1,0,1]=4 11055 B14R1.121 FCCCO[C@H](CCl)c1ccccc1 34a_100011933945_100011934791 [0,2,0,0,0,0|1,0,1]=4 11056 B14R1.121 FCCCO[C@H](CCl)c1ccccc1 7a_100011933945_100011934791 [0,2,0,0,0,0|1,0,1]=4 11057 B14R1.121 N#CC(OCCCF)c1ccccc1 7a_100011217353_100011934791 [0,2,0,0,0,0|1,0,1]=4 11058 B14R1.121 N#CC(OCCCO)c1ccccc1 7a_100011217353_100011215043 [0,2,0,0,0,0|1,0,1]=4 11059 B14R1.121 NCC(OCCCF)c1ccccc1 34a_100000210709_100011934791 [0,2,0,0,0,0|1,0,1]=4 11060 B14R1.121 NCC(OCCCO)c1ccccc1 34a_100000210709_100000230001 [0,2,0,0,0,0|1,0,1]=4 11061 B14R1.121 OCCCOC(CBr)c1ccccc1 7a_100000185958_100011215043 [0,2,0,0,0,0|1,0,1]=4 11062 B14R1.121 OCCCO[C@H](CCl)c1ccccc1 34a_100011933945_100000230001 [0,2,0,0,0,0|1,0,1]=4 11063 B14R1.121 OCCCO[C@H](CCl)c1ccccc1 7a_100011933945_100011215043 [0,2,0,0,0,0|1,0,1]=4 11064 B14R1.163 C#CC(=O)COC(=O)c1ccccc1 1458a_100000211873_100000073877 [0,2,0,0,0,0|0,0,2]=4 11065 B14R1.163 C#CC(C)SCC(=O)c1ccccc1 62a_200000035995_100000211460 [0,2,0,0,0,0|2,0,0]=4 11066 B14R1.163 C#C[C@@H](C)OCC(=O)c1ccccc1 7a_100009815206_100000211460 [0,2,0,0,0,0|0,0,2]=4 11067 B14R1.163 C=CC(=O)COC(=O)c1ccccc1 1458a_100000185746_100000073877 [0,2,0,0,0,0|0,0,2]=4 11068 B14R1.163 C=CC(C)COC(C)c1ccccc1 34a_100011215527_100000211855 [0,2,0,0,0,0|1,0,1]=4 11069 B14R1.163 C=CC(C)COC(C)c1ccccc1 7a_100011215527_100000230085 [0,2,0,0,0,0|1,0,1]=4 11070 B14R1.163 C=CC(C)SCC(=O)c1ccccc1 62a_100011215867_100000211460 [0,2,0,0,0,0|2,0,0]=4 11071 B14R1.163 CC(C#N)SCC(=O)c1ccccc1 62a_100000211460_100000703298 [0,2,0,0,0,0|2,0,0]=4 11072 B14R1.163 CC(C#N)SCC(=O)c1ccccc1 62a_100000703298_100000211460 [0,2,0,0,0,0|2,0,0]=4 11073 B14R1.163 CC(CCC(=O)c1ccccc1)O[13CH3] 7a_200012571355_200025704644 [0,2,0,0,0,0|1,0,0]=3 11074 B14R1.163 CC(CF)OCC(=O)c1ccccc1 7a_100016041109_100000211460 [0,2,0,0,0,0|1,0,0]=3 11075 B14R1.163 CC(CF)OCC(=O)c1ccccn1 34a_100016041109_100000027445 [0,2,0,0,0,0|2,0,0]=4 11076 B14R1.163 CC(CF)OCC(=O)c1ccccn1 7a_100016041109_100000027445 [0,2,0,0,0,0|2,0,0]=4 11077 B14R1.163 CC(CF)OCC(=O)c1ccncc1 7a_100016041109_100015248511 [0,2,0,0,0,0|2,0,0]=4 11078 B14R1.163 CC(CN)COC(C)c1ccccc1 34a_100000744482_100000211855 [0,2,0,0,0,0|1,0,1]=4 11079 B14R1.163 CC(CN)OCC(=O)c1ccccn1 34a_100000210904_100000027445 [0,2,0,0,0,0|2,0,0]=4 11080 B14R1.163 CC(CO)CNC(=O)c1ccccc1 240690a_100000744482_100000185807 [0,2,0,0,0,0|1,0,0]=3 11081 B14R1.163 CC(CO)CNC(=O)c1ccccc1 527a_100000744482_100000185807 [0,2,0,0,0,0|1,0,0]=3 11082 B14R1.163 CC(CO)SCC(=O)c1ccccc1 62a_100012180447_100000211460 [0,2,0,0,0,0|1,1,0]=4 11083 B14R1.163 CC(OCC(Cl)CCl)c1ccccc1 34a_100000033668_100000211855 [0,2,0,0,0,0|1,0,1]=4 11084 B14R1.163 CC(OC[C@H](F)CN)c1ccccc1 34a_100015665980_100000211855 [0,2,0,0,0,0|1,0,1]=4 11085 B14R1.163 CCC(=O)CCC(=O)c1ccccc1 1458a_100000210414_100000750707 [0,2,0,0,0,0|1,0,0]=3 11086 B14R1.163 CCC(=O)CNC(=O)c1ccccc1 1458a_100000182045_100000210202 [0,2,0,0,0,0|1,0,0]=3 11087 B14R1.163 CCC(=O)CNC(=O)c1cccnc1 1458a_100000688122_100000210202 [0,2,0,0,0,0|2,0,0]=4 11088 B14R1.163 CCC(=O)COC(=O)c1ccccc1 1458a_100000210414_100000073877 [0,2,0,0,0,0|0,0,0]=2 11089 B14R1.163 CCC(=O)COC(C)c1ccccc1 34a_100000725409_100000211855 [0,2,0,0,0,0|1,0,1]=4 11090 B14R1.163 CCC(=O)CO[C@H](C)c1ccccc1 7a_100000761318_100000747405 [0,2,0,0,0,0|1,0,1]=4 11091 B14R1.163 CCC(=O)CSC(=S)c1ccccc1 1458a_100000043459_100000210202 [0,2,0,0,0,0|0,2,0]=4 11092 B14R1.163 CCC(=O)NNC(=O)c1ccccc1 22a_100000183195_100000185807 [0,2,0,0,0,0|1,0,1]=4 11093 B14R1.163 CCC(=O)NNC(=O)c1ccccc1 22a_100000184135_100000210414 [0,2,0,0,0,0|1,0,1]=4 11094 B14R1.163 CCC(C)CNC(=O)c1ccccc1 11a_100020588543_100000185807 [0,2,0,0,0,0|1,0,0]=3 11095 B14R1.163 CCC(C)CNC(=O)c1ccccc1 1626a_100020588543_100000185807 [0,2,0,0,0,0|1,0,0]=3 11096 B14R1.163 CCC(C)CNC(=O)c1ccccc1 240690a_100020588543_100000185807 [0,2,0,0,0,0|1,0,0]=3 11097 B14R1.163 CCC(C)CNC(=O)c1ccccc1 527a_100020588543_100000185807 [0,2,0,0,0,0|1,0,0]=3 11098 B14R1.163 CCC(C)CO[C@H](C)c1ccccc1 34a_100000761318_100000748023 [0,2,0,0,0,0|1,0,1]=4 11099 B14R1.163 CCC(C)CO[C@H](C)c1ccccc1 7a_100000761318_100000748023 [0,2,0,0,0,0|1,0,1]=4 11100 B14R1.163 CCC(C)NN=C(C)c1ccccc1 4a_100000718999_100000185851 [0,2,0,0,0,0|2,0,0]=4 11101 B14R1.163 CCC(C)NNC(=O)c1ccccc1 22a_100000718999_100000185807 [0,2,0,0,0,0|1,0,0]=3 11102 B14R1.163 CCC(C)OCC(=O)c1ccccc1 7a_100000210228_100000211460 [0,2,0,0,0,0|0,0,0]=2 11103 B14R1.163 CCC(C)OCC(=O)c1ccccn1 7a_100000210228_100000027445 [0,2,0,0,0,0|1,0,0]=3 11104 B14R1.163 CCC(C)OCC(=O)c1ccncc1 7a_100000210228_100015248511 [0,2,0,0,0,0|1,0,0]=3 11105 B14R1.163 CCC(C)OCC(C)c1ccccc1 34a_100011215166_100011215416 [0,2,0,0,0,0|1,0,1]=4 11106 B14R1.163 CCC(C)OCC(C)c1ccccc1 7a_100000210228_100000756946 [0,2,0,0,0,0|1,0,1]=4 11107 B14R1.163 CCC(C)OCC(C)c1ccccc1 7a_100011215166_100000758301 [0,2,0,0,0,0|1,0,1]=4 11108 B14R1.163 CCC(C)OCC(O)c1ccccc1 7a_100000210228_100000185958 [0,2,0,0,0,0|0,0,2]=4 11109 B14R1.163 CCC(C)OC[C@@H](N)c1ccccc1 34a_100000751927_100011215416 [0,2,0,0,0,0|1,0,1]=4 11110 B14R1.163 CCC(C)OC[C@@H](O)c1ccccc1 7a_100000210228_100011933945 [0,2,0,0,0,0|0,0,2]=4 11111 B14R1.163 CCC(C)SCC(=O)c1ccccc1 62a_100000211460_100000758301 [0,2,0,0,0,0|0,1,0]=3 11112 B14R1.163 CCC(C)SCC(=O)c1ccccc1 62a_100000758301_100000211460 [0,2,0,0,0,0|0,1,0]=3 11113 B14R1.163 CCC(C)SCC(=O)c1ccccn1 62a_100000027445_100000758301 [0,2,0,0,0,0|1,1,0]=4 11114 B14R1.163 CCC(C)SCC(=O)c1ccccn1 62a_100000758301_100000027445 [0,2,0,0,0,0|1,1,0]=4 11115 B14R1.163 CCC(C)SCC(=O)c1cccnc1 62a_100000757877_100000758301 [0,2,0,0,0,0|1,1,0]=4 11116 B14R1.163 CCC(C)SCC(=O)c1cccnc1 62a_100000758301_100000757877 [0,2,0,0,0,0|1,1,0]=4 11117 B14R1.163 CCC(C)SCC(=O)c1ccncc1 62a_100000027454_100000758301 [0,2,0,0,0,0|1,1,0]=4 11118 B14R1.163 CCC(C)SCC(=O)c1ccncc1 62a_100000758301_100000027454 [0,2,0,0,0,0|1,1,0]=4 11119 B14R1.163 CCC(C)SCS(=O)c1ccccc1 62a_100000758301_100000031784 [0,2,0,0,0,0|1,1,0]=4 11120 B14R1.163 CCC(O)CNC(=O)c1ccccc1 11a_100011218483_100000185807 [0,2,0,0,0,0|1,0,0]=3 11121 B14R1.163 CCC(O)CNC(=O)c1ccccc1 240690a_100011218483_100000185807 [0,2,0,0,0,0|1,0,0]=3 11122 B14R1.163 CCC(O)CNC(=O)c1ccccc1 527a_100011218483_100000185807 [0,2,0,0,0,0|1,0,0]=3 11123 B14R1.163 CCC(O)CO[C@H](C)c1ccccc1 34a_100000761318_100011218378 [0,2,0,0,0,0|1,0,1]=4 11124 B14R1.163 CCC(O)CO[C@H](C)c1ccccc1 7a_100000761318_100011218378 [0,2,0,0,0,0|1,0,1]=4 11125 B14R1.163 CCN(C)CCC(=O)c1ccccc1 2230a_100000225621_100000750707 [0,2,0,0,0,0|1,0,0]=3 11126 B14R1.163 CCN(C)CCC(=O)c1ccccc1 269982a_100000225621_100000750707 [0,2,0,0,0,0|1,0,0]=3 11127 B14R1.163 CCN(C)CCS(=O)c1ccccc1 2230a_100000225621_100000740319 [0,2,0,0,0,0|2,0,0]=4 11128 B14R1.163 CCN(C)CCS(=O)c1ccccc1 269982a_100000225621_100000740319 [0,2,0,0,0,0|2,0,0]=4 11129 B14R1.163 CCN(C)COC(=O)c1ccccc1 269982a_100000225621_100000073877 [0,2,0,0,0,0|0,0,0]=2 11130 B14R1.163 CC[C@H](C)COC(C)c1ccccc1 7a_100009816381_100000230085 [0,2,0,0,0,0|1,0,1]=4 11131 B14R1.163 CC[C@H](C)CO[C@H](C)c1ccccc1 34a_100000761318_100009816398 [0,2,0,0,0,0|1,0,1]=4 11132 B14R1.163 CC[C@H](C)CO[C@H](C)c1ccccc1 7a_100000761318_100009816398 [0,2,0,0,0,0|1,0,1]=4 11133 B14R1.163 CNC(=O)CNC(=O)c1ccccc1 11a_100000693194_100000185807 [0,2,0,0,0,0|1,0,1]=4 11134 B14R1.163 CNC(=O)CNC(=O)c1ccccc1 11a_106832991635_100000182045 [0,2,0,0,0,0|1,0,1]=4 11135 B14R1.163 CNC(=O)CNC(=O)c1ccccc1 1626a_100102657272_100000182045 [0,2,0,0,0,0|1,0,1]=4 11136 B14R1.163 CNC(=O)CNC(=O)c1ccccc1 240690a_100000693194_100000185807 [0,2,0,0,0,0|1,0,1]=4 11137 B14R1.163 CNC(=O)CNC(=O)c1ccccc1 240690a_100102657272_100000182045 [0,2,0,0,0,0|1,0,1]=4 11138 B14R1.163 CNC(=O)CNC(=O)c1ccccc1 527a_100000693194_100000185807 [0,2,0,0,0,0|1,0,1]=4 11139 B14R1.163 CNC(=O)CNC(=O)c1ccccc1 527a_100102657272_100000182045 [0,2,0,0,0,0|1,0,1]=4 11140 B14R1.163 CNC(C)COC(=O)c1ccccc1 270004a_106832991635_100000000904 [0,2,0,0,0,0|0,0,0]=2 11141 B14R1.163 COC(=O)CNC(=O)c1ccccc1 188690a_100000185156_100000185807 [0,2,0,0,0,0|1,0,1]=4 11142 B14R1.163 COC(C)CCC(=O)c1ccccc1 7a_200012571355_200000210301 [0,2,0,0,0,0|1,0,0]=3 11143 B14R1.163 COC(C)COC(C)c1ccccc1 34a_100000690652_100000211855 [0,2,0,0,0,0|1,0,1]=4 11144 B14R1.163 COC(C)SCC(=O)c1ccccc1 62a_100000211460_100009879195 [0,2,0,0,0,0|1,1,0]=4 11145 B14R1.163 COC(C)SCC(=O)c1ccccc1 62a_100009879195_100000211460 [0,2,0,0,0,0|1,1,0]=4 11146 B14R1.163 CO[C@H](C)CNC(=O)c1ccccc1 11a_100020591295_100000185807 [0,2,0,0,0,0|1,0,0]=3 11147 B14R1.163 CO[C@H](C)CNC(=O)c1ccccc1 1626a_100020591295_100000185807 [0,2,0,0,0,0|1,0,0]=3 11148 B14R1.163 CO[C@H](C)CNC(=O)c1ccccc1 240690a_100020591295_100000185807 [0,2,0,0,0,0|1,0,0]=3 11149 B14R1.163 CO[C@H](C)CNC(=O)c1ccccc1 527a_100020591295_100000185807 [0,2,0,0,0,0|1,0,0]=3 11150 B14R1.163 C[C@@H](CO)CO[C@H](C)c1ccccc1 34a_100000761318_100000059175 [0,2,0,0,0,0|1,0,1]=4 11151 B14R1.163 C[C@@H](CO)CO[C@H](C)c1ccccc1 7a_100000761318_100000059175 [0,2,0,0,0,0|1,0,1]=4 11152 B14R1.163 C[C@@H](OCC(O)CO)c1ccccc1 34a_100000761318_100011219619 [0,2,0,0,0,0|1,0,1]=4 11153 B14R1.163 C[C@@H](OCC(O)CO)c1ccccc1 7a_100000761318_100011219619 [0,2,0,0,0,0|1,0,1]=4 11154 B14R1.163 C[C@@H](OC[C@@H](O)CF)c1ccccc1 34a_100000761318_100015614560 [0,2,0,0,0,0|1,0,1]=4 11155 B14R1.163 C[C@@H](OC[C@@H](O)CF)c1ccccc1 7a_100000761318_100015614560 [0,2,0,0,0,0|1,0,1]=4 11156 B14R1.163 C[C@@H](OC[C@@H](O)CO)c1ccccc1 34a_100000761318_100009815848 [0,2,0,0,0,0|1,0,1]=4 11157 B14R1.163 C[C@@H](OC[C@@H](O)CO)c1ccccc1 7a_100000761318_100009815848 [0,2,0,0,0,0|1,0,1]=4 11158 B14R1.163 C[C@H](CO)SCC(=O)c1ccccc1 62a_100000211460_100016084084 [0,2,0,0,0,0|1,1,0]=4 11159 B14R1.163 C[C@H](CO)SCC(=O)c1ccccc1 62a_100016084084_100000211460 [0,2,0,0,0,0|1,1,0]=4 11160 B14R1.163 O=C(CF)CNC(=O)c1ccccc1 1458a_100000182045_100015361967 [0,2,0,0,0,0|1,0,1]=4 11161 B14R1.163 O=C(CO)CCC(=O)c1ccccc1 1458a_100000210174_100000750707 [0,2,0,0,0,0|1,0,1]=4 11162 B14R1.163 O=C(CO)COC(=O)c1ccccc1 1458a_100000210174_100000073877 [0,2,0,0,0,0|0,0,1]=3 11163 B14R1.163 O=C(NC[C@@H](F)CO)c1ccccc1 240690a_100015665980_100000185807 [0,2,0,0,0,0|1,0,0]=3 11164 B14R1.163 O=C(NC[C@@H](F)CO)c1ccccc1 527a_100015665980_100000185807 [0,2,0,0,0,0|1,0,0]=3 11165 B14R1.163 O=C(NC[C@H](O)CO)c1ccccc1 240690a_100020644852_100000185807 [0,2,0,0,0,0|1,0,0]=3 11166 B14R1.163 O=C(NC[C@H](O)CO)c1ccccc1 527a_100020644852_100000185807 [0,2,0,0,0,0|1,0,0]=3 11167 B14R1.420 C=C(C)CCOC(C)c1ccccc1 34a_100000764851_100000211855 [0,2,0,0,0,0|1,0,1]=4 11168 B14R1.420 C=C(C)CCO[C@H](C)c1ccccc1 34a_100000761318_100000730704 [0,2,0,0,0,0|1,0,1]=4 11169 B14R1.420 C=C(C)CCO[C@H](C)c1ccccc1 7a_100000761318_100000730704 [0,2,0,0,0,0|1,0,1]=4 11170 B14R1.420 C=C(C)CNNC(=O)c1ccccc1 22a_100000729518_100000185807 [0,2,0,0,0,0|1,0,1]=4 11171 B14R1.420 C=C(C)COCC(=O)c1ccccn1 34a_100000210245_100000027445 [0,2,0,0,0,0|1,0,1]=4 11172 B14R1.420 C=C(C)CSCC(=O)c1ccccc1 62a_100000211460_100000211660 [0,2,0,0,0,0|0,1,1]=4 11173 B14R1.420 C=C(C)CSCC(=O)c1ccccc1 62a_100000748629_100000211460 [0,2,0,0,0,0|0,1,1]=4 11174 B14R1.420 C=C(CCCC(=O)C)c1ccccc1 1458a_200009911520_200000210301 [0,2,0,0,0,0|2,0,0]=4 11175 B14R1.420 C=C(CCCC(=O)[13CH3])c1ccccc1 1458a_200009911520_200025704644 [0,2,0,0,0,0|2,0,0]=4 11176 B14R1.420 CC(=CCCC(=O)c1ccccc1)C 1458a_100000185807_100011217483 [0,2,0,0,0,0|1,0,1]=4 11177 B14R1.420 CC(=CCNC(=O)c1ccccc1)C 11a_100000718196_100000185807 [0,2,0,0,0,0|1,0,1]=4 11178 B14R1.420 CC(=CCNC(=O)c1ccccc1)C 1626a_100000718196_100000185807 [0,2,0,0,0,0|1,0,1]=4 11179 B14R1.420 CC(=CCNC(=O)c1ccccc1)C 527a_100000718196_100000185807 [0,2,0,0,0,0|1,0,1]=4 11180 B14R1.420 CC(=NNCC(C)O)c1ccccc1 4a_200000730056_100000185851 [0,2,0,0,0,0|2,0,0]=4 11181 B14R1.420 CC(=O)CCCC(=O)c1ccccc1 1458a_100000070787_100000211006 [0,2,0,0,0,0|1,0,0]=3 11182 B14R1.420 CC(=O)CCCC(=O)c1ccccc1 1458a_100000185807_100011215641 [0,2,0,0,0,0|1,0,0]=3 11183 B14R1.420 CC(=O)CCNC(=O)c1ccccc1 1458a_100000070787_200011215302 [0,2,0,0,0,0|1,0,0]=3 11184 B14R1.420 CC(=O)CCNC(=O)c1ccccc1 1458a_100000182757_200000210301 [0,2,0,0,0,0|1,0,0]=3 11185 B14R1.420 CC(=O)CCOC(=O)c1ccccc1 1458a_100000070787_100000184176 [0,2,0,0,0,0|0,0,0]=2 11186 B14R1.420 CC(=O)CCOC(C)c1ccccc1 34a_100000759926_100000211855 [0,2,0,0,0,0|1,0,1]=4 11187 B14R1.420 CC(=O)CCOC(C)c1ccccc1 7a_100000759926_100000230085 [0,2,0,0,0,0|1,0,1]=4 11188 B14R1.420 CC(=O)CCO[C@H](C)c1ccccc1 7a_100000761318_100000053229 [0,2,0,0,0,0|1,0,1]=4 11189 B14R1.420 CC(=O)COCC(=O)c1ccccn1 34a_100000211253_100000027445 [0,2,0,0,0,0|1,0,1]=4 11190 B14R1.420 CC(=O)NCCC(=O)c1ccccc1 1458a_100000185807_100000189650 [0,2,0,0,0,0|1,0,1]=4 11191 B14R1.420 CC(=O)OCCC(=O)c1ccccc1 1458a_100000185807_100009814007 [0,2,0,0,0,0|1,0,1]=4 11192 B14R1.420 CC(Br)CCOC(C)c1ccccc1 34a_100009893172_100000211855 [0,2,0,0,0,0|1,0,1]=4 11193 B14R1.420 CC(Br)COCC(=O)c1ccccn1 34a_100012180447_100000027445 [0,2,0,0,0,0|1,0,0]=3 11194 B14R1.420 CC(Br)COCC(C)c1ccccc1 34a_100012180447_100000756946 [0,2,0,0,0,0|1,0,1]=4 11195 B14R1.420 CC(Br)COCC(O)c1ccccc1 34a_100012180447_100000185958 [0,2,0,0,0,0|0,0,2]=4 11196 B14R1.420 CC(Br)COC[C@@H](O)c1ccccc1 34a_100012180447_100011933945 [0,2,0,0,0,0|0,0,2]=4 11197 B14R1.420 CC(C)C=NNC(=O)c1ccccc1 4a_100000184135_100000210432 [0,2,0,0,0,0|1,0,1]=4 11198 B14R1.420 CC(C)CCCC(=O)c1ccccc1 1458a_100000185807_100011214892 [0,2,0,0,0,0|1,0,0]=3 11199 B14R1.420 CC(C)CCNC(=O)c1ccccc1 11a_100000210545_100000185807 [0,2,0,0,0,0|1,0,0]=3 11200 B14R1.420 CC(C)CCNC(=O)c1ccccc1 1626a_100000210545_100000185807 [0,2,0,0,0,0|1,0,0]=3 11201 B14R1.420 CC(C)CCNC(=O)c1ccccc1 240690a_100000210545_100000185807 [0,2,0,0,0,0|1,0,0]=3 11202 B14R1.420 CC(C)CCNC(=O)c1ccccc1 527a_100000210545_100000185807 [0,2,0,0,0,0|1,0,0]=3 11203 B14R1.420 CC(C)CCOC(C)c1ccccc1 34a_100000210254_100000211855 [0,2,0,0,0,0|1,0,1]=4 11204 B14R1.420 CC(C)CCOC(C)c1ccccc1 7a_100000210254_100000230085 [0,2,0,0,0,0|1,0,1]=4 11205 B14R1.420 CC(C)CCO[C@H](C)c1ccccc1 34a_100000761318_100000210312 [0,2,0,0,0,0|1,0,1]=4 11206 B14R1.420 CC(C)CCO[C@H](C)c1ccccc1 7a_100000761318_100000210626 [0,2,0,0,0,0|1,0,1]=4 11207 B14R1.420 CC(C)CNCC(=O)c1ccccn1 34a_100000210953_100000027445 [0,2,0,0,0,0|2,0,0]=4 11208 B14R1.420 CC(C)CNNC(=O)c1ccccc1 22a_100000696102_100000185807 [0,2,0,0,0,0|1,0,0]=3 11209 B14R1.420 CC(C)COCC(=O)c1ccccn1 34a_100000210257_100000027445 [0,2,0,0,0,0|1,0,0]=3 11210 B14R1.420 CC(C)COCC(C)c1ccccc1 34a_100000210257_100000756946 [0,2,0,0,0,0|1,0,1]=4 11211 B14R1.420 CC(C)COCC(C)c1ccccc1 34a_100011215166_100000210624 [0,2,0,0,0,0|1,0,1]=4 11212 B14R1.420 CC(C)COCC(C)c1ccccc1 7a_100011215166_100000210760 [0,2,0,0,0,0|1,0,1]=4 11213 B14R1.420 CC(C)COCC(O)c1ccccc1 34a_100000210257_100000185958 [0,2,0,0,0,0|0,0,2]=4 11214 B14R1.420 CC(C)COC[C@@H](N)c1ccccc1 34a_100000751927_100000210624 [0,2,0,0,0,0|1,0,1]=4 11215 B14R1.420 CC(C)COC[C@@H](O)c1ccccc1 34a_100000210257_100011933945 [0,2,0,0,0,0|0,0,2]=4 11216 B14R1.420 CC(C)CSCC(=O)c1ccccc1 62a_100000210624_100000211460 [0,2,0,0,0,0|0,1,0]=3 11217 B14R1.420 CC(C)CSCC(=O)c1ccccc1 62a_100000211460_100000210760 [0,2,0,0,0,0|0,1,0]=3 11218 B14R1.420 CC(C)CSCC(=O)c1ccccn1 62a_100000027445_100000210760 [0,2,0,0,0,0|1,1,0]=4 11219 B14R1.420 CC(C)CSCC(=O)c1ccccn1 62a_100000210624_100000027445 [0,2,0,0,0,0|1,1,0]=4 11220 B14R1.420 CC(C)CSCC(=O)c1cccnc1 62a_100000210624_100000757877 [0,2,0,0,0,0|1,1,0]=4 11221 B14R1.420 CC(C)CSCC(=O)c1cccnc1 62a_100000757877_100000210760 [0,2,0,0,0,0|1,1,0]=4 11222 B14R1.420 CC(C)CSCC(=O)c1ccncc1 62a_100000027454_100000210760 [0,2,0,0,0,0|1,1,0]=4 11223 B14R1.420 CC(C)CSCC(=O)c1ccncc1 62a_100000210624_100000027454 [0,2,0,0,0,0|1,1,0]=4 11224 B14R1.420 CC(C)CSCS(=O)c1ccccc1 62a_100000210624_100000031784 [0,2,0,0,0,0|1,1,0]=4 11225 B14R1.420 CC(C)NCCC(=O)c1ccccc1 2230a_100138425928_100000750707 [0,2,0,0,0,0|1,0,0]=3 11226 B14R1.420 CC(C)NCCS(=O)c1ccccc1 2230a_100138425928_100000740319 [0,2,0,0,0,0|2,0,0]=4 11227 B14R1.420 CC(C)OCCC(=O)c1ccccc1 1458a_100000185807_100000211751 [0,2,0,0,0,0|1,0,0]=3 11228 B14R1.420 CC(C)OCO[C@H](C)c1ccccc1 34a_100000761318_100000709892 [0,2,0,0,0,0|1,0,1]=4 11229 B14R1.420 CC(C)SCCC(=O)c1ccccc1 1458a_100000185807_100000730970 [0,2,0,0,0,0|1,0,0]=3 11230 B14R1.420 CC(C)SCCC(=O)c1ccccc1 62a_100000210206_100000750707 [0,2,0,0,0,0|1,0,0]=3 11231 B14R1.420 CC(C)SCCC(=O)c1ccccc1 62a_100000750707_100000210206 [0,2,0,0,0,0|1,0,0]=3 11232 B14R1.420 CC(C)SCCS(=O)c1ccccc1 62a_100000210206_100000740319 [0,2,0,0,0,0|2,0,0]=4 11233 B14R1.420 CC(C)SCOC(=O)c1ccccc1 62a_100000073877_100000210206 [0,2,0,0,0,0|0,0,0]=2 11234 B14R1.420 CC(C)SCOC(=O)c1ccccc1 62a_100000210206_100000073877 [0,2,0,0,0,0|0,0,0]=2 11235 B14R1.420 CC(COC[C@@H](C)Cl)c1ccccc1 34a_100016084084_100000756946 [0,2,0,0,0,0|1,0,1]=4 11236 B14R1.420 CC(COC[C@@H](C)N)c1ccccc1 34a_100000737577_100000756946 [0,2,0,0,0,0|1,0,1]=4 11237 B14R1.420 CC(COC[C@@H](C)O)c1ccccc1 34a_100011215166_100009817552 [0,2,0,0,0,0|1,0,1]=4 11238 B14R1.420 CC(COC[C@@H](C)O)c1ccccc1 7a_100011215166_100009817552 [0,2,0,0,0,0|1,0,1]=4 11239 B14R1.420 CC(F)COCC(=O)c1ccccn1 34a_100015925927_100000027445 [0,2,0,0,0,0|1,0,0]=3 11240 B14R1.420 CC(F)COCC(C)c1ccccc1 34a_100015925927_100000756946 [0,2,0,0,0,0|1,0,1]=4 11241 B14R1.420 CC(F)COCC(O)c1ccccc1 34a_100015925927_100000185958 [0,2,0,0,0,0|0,0,2]=4 11242 B14R1.420 CC(F)COC[C@@H](O)c1ccccc1 34a_100015925927_100011933945 [0,2,0,0,0,0|0,0,2]=4 11243 B14R1.420 CC(O)CCCC(=O)c1ccccc1 1458a_100000185807_200000718107 [0,2,0,0,0,0|1,0,0]=3 11244 B14R1.420 CC(O)CCNC(=O)c1ccccc1 240690a_200000755665_100000185807 [0,2,0,0,0,0|1,0,0]=3 11245 B14R1.420 CC(O)CCNC(=O)c1ccccc1 527a_200000755665_100000185807 [0,2,0,0,0,0|1,0,0]=3 11246 B14R1.420 CC(O)CCO[C@H](C)c1ccccc1 34a_100000761318_100012276601 [0,2,0,0,0,0|1,0,1]=4 11247 B14R1.420 CC(O)CCO[C@H](C)c1ccccc1 7a_100000761318_100012276601 [0,2,0,0,0,0|1,0,1]=4 11248 B14R1.420 CC(O)CNCC(=O)c1ccccn1 34a_100000210904_100000027445 [0,2,0,0,0,0|2,0,0]=4 11249 B14R1.420 CC(O)CNNC(=O)c1ccccc1 22a_200000730056_100000185807 [0,2,0,0,0,0|1,0,0]=3 11250 B14R1.420 CC(O)COCC(C)c1ccccc1 34a_100011215166_100011218427 [0,2,0,0,0,0|1,0,1]=4 11251 B14R1.420 CC(O)COCC(C)c1ccccc1 7a_100011215166_100011218427 [0,2,0,0,0,0|1,0,1]=4 11252 B14R1.420 CC(O)COC[C@@H](N)c1ccccc1 34a_100000751927_100011218427 [0,2,0,0,0,0|1,0,1]=4 11253 B14R1.420 CC(O)CSCC(=O)c1ccccc1 62a_100000211460_100011218427 [0,2,0,0,0,0|0,1,0]=3 11254 B14R1.420 CC(O)CSCC(=O)c1ccccc1 62a_100011218427_100000211460 [0,2,0,0,0,0|0,1,0]=3 11255 B14R1.420 CC(O)CSCC(=O)c1ccccn1 62a_100000027445_100011218427 [0,2,0,0,0,0|1,1,0]=4 11256 B14R1.420 CC(O)CSCC(=O)c1ccccn1 62a_100011218427_100000027445 [0,2,0,0,0,0|1,1,0]=4 11257 B14R1.420 CC(O)CSCC(=O)c1cccnc1 62a_100000757877_100011218427 [0,2,0,0,0,0|1,1,0]=4 11258 B14R1.420 CC(O)CSCC(=O)c1cccnc1 62a_100011218427_100000757877 [0,2,0,0,0,0|1,1,0]=4 11259 B14R1.420 CC(O)CSCC(=O)c1ccncc1 62a_100000027454_100011218427 [0,2,0,0,0,0|1,1,0]=4 11260 B14R1.420 CC(O)CSCC(=O)c1ccncc1 62a_100011218427_100000027454 [0,2,0,0,0,0|1,1,0]=4 11261 B14R1.420 CC(O)CSCS(=O)c1ccccc1 62a_100011218427_100000031784 [0,2,0,0,0,0|1,1,0]=4 11262 B14R1.420 CC(OCCC(F)F)c1ccccc1 34a_100103093639_100000211855 [0,2,0,0,0,0|1,0,1]=4 11263 B14R1.420 CC(OCC[C@@H](C)N)c1ccccc1 34a_100000706166_100000211855 [0,2,0,0,0,0|1,0,1]=4 11264 B14R1.420 CN(C)CCCC(=O)c1ccccc1 1458a_100000185807_100000695564 [0,2,0,0,0,0|1,0,0]=3 11265 B14R1.420 CN(C)CCCC(=O)c1ccccc1 2230a_100102631434_100000211006 [0,2,0,0,0,0|1,0,0]=3 11266 B14R1.420 CN(C)CCCC(=O)c1ccccc1 269982a_100102631434_100000211006 [0,2,0,0,0,0|1,0,0]=3 11267 B14R1.420 CN(C)CCNC(=O)c1ccccc1 240690a_100000210585_100000185807 [0,2,0,0,0,0|1,0,0]=3 11268 B14R1.420 CN(C)CCNC(=O)c1ccccc1 269982a_100102631434_200011215302 [0,2,0,0,0,0|1,0,0]=3 11269 B14R1.420 CN(C)CCNC(=O)c1ccccc1 527a_100000210585_100000185807 [0,2,0,0,0,0|1,0,0]=3 11270 B14R1.420 CN(C)CCOC(=O)c1ccccc1 269982a_100102631434_100009812718 [0,2,0,0,0,0|0,0,0]=2 11271 B14R1.420 C[C@@H](Cl)COCC(=O)c1ccccn1 34a_100016084084_100000027445 [0,2,0,0,0,0|1,0,0]=3 11272 B14R1.420 C[C@@H](Cl)COCC(O)c1ccccc1 34a_100016084084_100000185958 [0,2,0,0,0,0|0,0,2]=4 11273 B14R1.420 C[C@@H](Cl)COC[C@@H](O)c1ccccc1 34a_100016084084_100011933945 [0,2,0,0,0,0|0,0,2]=4 11274 B14R1.420 C[C@@H](N)COCC(=O)c1ccccn1 34a_100000737577_100000027445 [0,2,0,0,0,0|1,0,0]=3 11275 B14R1.420 C[C@@H](N)COCC(O)c1ccccc1 34a_100000737577_100000185958 [0,2,0,0,0,0|0,0,2]=4 11276 B14R1.420 C[C@@H](N)COC[C@@H](O)c1ccccc1 34a_100000737577_100011933945 [0,2,0,0,0,0|0,0,2]=4 11277 B14R1.420 C[C@@H](O)COC[C@@H](N)c1ccccc1 34a_100000751927_100009817552 [0,2,0,0,0,0|1,0,1]=4 11278 B14R1.420 C[C@@H](O)CSCC(=O)c1ccccc1 62a_100000211460_100009817552 [0,2,0,0,0,0|0,1,0]=3 11279 B14R1.420 C[C@@H](O)CSCC(=O)c1ccccc1 62a_100009817552_100000211460 [0,2,0,0,0,0|0,1,0]=3 11280 B14R1.420 C[C@@H](O)CSCC(=O)c1ccccn1 62a_100000027445_100009817552 [0,2,0,0,0,0|1,1,0]=4 11281 B14R1.420 C[C@@H](O)CSCC(=O)c1ccccn1 62a_100009817552_100000027445 [0,2,0,0,0,0|1,1,0]=4 11282 B14R1.420 C[C@@H](O)CSCC(=O)c1cccnc1 62a_100000757877_100009817552 [0,2,0,0,0,0|1,1,0]=4 11283 B14R1.420 C[C@@H](O)CSCC(=O)c1cccnc1 62a_100009817552_100000757877 [0,2,0,0,0,0|1,1,0]=4 11284 B14R1.420 C[C@@H](O)CSCC(=O)c1ccncc1 62a_100000027454_100009817552 [0,2,0,0,0,0|1,1,0]=4 11285 B14R1.420 C[C@@H](O)CSCC(=O)c1ccncc1 62a_100009817552_100000027454 [0,2,0,0,0,0|1,1,0]=4 11286 B14R1.420 C[C@@H](O)CSCS(=O)c1ccccc1 62a_100009817552_100000031784 [0,2,0,0,0,0|1,1,0]=4 11287 B14R1.420 C[C@@H](OCCN(C)C)c1ccccc1 7a_100000761318_100000755713 [0,2,0,0,0,0|1,0,1]=4 11288 B14R1.420 NC(=O)CCCC(=O)c1ccccc1 1458a_100000185807_100102525003 [0,2,0,0,0,0|1,0,1]=4 11289 B14R1.420 NC(=O)CCNC(=O)c1ccccc1 11a_100000740010_100000185807 [0,2,0,0,0,0|1,0,1]=4 11290 B14R1.420 NC(=O)CCNC(=O)c1ccccc1 240690a_100000740010_100000185807 [0,2,0,0,0,0|1,0,1]=4 11291 B14R1.420 NC(=O)CCNC(=O)c1ccccc1 527a_100000740010_100000185807 [0,2,0,0,0,0|1,0,1]=4 11292 B14R1.420 O=C(COCC(F)F)c1ccccn1 34a_100000743014_100000027445 [0,2,0,0,0,0|2,0,0]=4 11293 B14R1.420 O=C(CSCC(F)F)c1ccccc1 62a_100000211460_100011934356 [0,2,0,0,0,0|1,1,0]=4 11294 B14R1.420 O=C(CSCC(F)F)c1ccccc1 62a_100011934356_100000211460 [0,2,0,0,0,0|1,1,0]=4 11295 B14R1.420 [13CH3]C(=O)CCNC(=O)c1ccccc1 1458a_100000182757_200025704644 [0,2,0,0,0,0|1,0,0]=3 11296 B14R1.1035 C#CCCCC(=O)c1ccccc1Br 1458a_100000188424_100000731252 [0,2,0,0,0,0|1,0,1]=4 11297 B14R1.1035 C#CCCCC(=O)c1ccccc1C 1458a_100000212026_100000731252 [0,2,0,0,0,0|1,0,1]=4 11298 B14R1.1035 C#CCCCC(=O)c1ccccc1Cl 1458a_100000185844_100000731252 [0,2,0,0,0,0|1,0,1]=4 11299 B14R1.1035 C#CCCCC(=O)c1ccccc1F 1458a_100000188656_100000731252 [0,2,0,0,0,0|1,0,1]=4 11300 B14R1.1035 C#CCCCC(=O)c1ccccc1I 1458a_100000187884_100000731252 [0,2,0,0,0,0|1,0,1]=4 11301 B14R1.1035 C#CCCCC(=O)c1ccccc1O 1458a_100015234032_100000731252 [0,2,0,0,0,0|1,0,1]=4 11302 B14R1.1035 C#CCCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000731252 [0,2,0,0,0,0|1,0,1]=4 11303 B14R1.1035 C#CCCNC(=O)c1ccccc1Br 11a_100000755551_100000188424 [0,2,0,0,0,0|1,0,1]=4 11304 B14R1.1035 C#CCCNC(=O)c1ccccc1Br 1626a_100000755551_100000188424 [0,2,0,0,0,0|1,0,1]=4 11305 B14R1.1035 C#CCCNC(=O)c1ccccc1Br 240690a_100000755551_100000188424 [0,2,0,0,0,0|1,0,1]=4 11306 B14R1.1035 C#CCCNC(=O)c1ccccc1Br 527a_100000755551_100000188424 [0,2,0,0,0,0|1,0,1]=4 11307 B14R1.1035 C#CCCNC(=O)c1ccccc1C 11a_100000755551_100000212026 [0,2,0,0,0,0|1,0,1]=4 11308 B14R1.1035 C#CCCNC(=O)c1ccccc1C 1626a_100000755551_100000212026 [0,2,0,0,0,0|1,0,1]=4 11309 B14R1.1035 C#CCCNC(=O)c1ccccc1C 240690a_100000755551_100000212026 [0,2,0,0,0,0|1,0,1]=4 11310 B14R1.1035 C#CCCNC(=O)c1ccccc1C 527a_100000755551_100000212026 [0,2,0,0,0,0|1,0,1]=4 11311 B14R1.1035 C#CCCNC(=O)c1ccccc1Cl 11a_100000755551_100000185844 [0,2,0,0,0,0|1,0,1]=4 11312 B14R1.1035 C#CCCNC(=O)c1ccccc1Cl 1626a_100000755551_100000185844 [0,2,0,0,0,0|1,0,1]=4 11313 B14R1.1035 C#CCCNC(=O)c1ccccc1Cl 240690a_100000755551_100000185844 [0,2,0,0,0,0|1,0,1]=4 11314 B14R1.1035 C#CCCNC(=O)c1ccccc1Cl 527a_100000755551_100000185844 [0,2,0,0,0,0|1,0,1]=4 11315 B14R1.1035 C#CCCNC(=O)c1ccccc1F 11a_100000755551_100000188656 [0,2,0,0,0,0|1,0,1]=4 11316 B14R1.1035 C#CCCNC(=O)c1ccccc1F 1626a_100000755551_100000188656 [0,2,0,0,0,0|1,0,1]=4 11317 B14R1.1035 C#CCCNC(=O)c1ccccc1F 240690a_100000755551_100000188656 [0,2,0,0,0,0|1,0,1]=4 11318 B14R1.1035 C#CCCNC(=O)c1ccccc1F 527a_100000755551_100000188656 [0,2,0,0,0,0|1,0,1]=4 11319 B14R1.1035 C#CCCNC(=O)c1ccccc1I 11a_100000755551_100000187884 [0,2,0,0,0,0|1,0,1]=4 11320 B14R1.1035 C#CCCNC(=O)c1ccccc1I 1626a_100000755551_100000187884 [0,2,0,0,0,0|1,0,1]=4 11321 B14R1.1035 C#CCCNC(=O)c1ccccc1I 240690a_100000755551_100000187884 [0,2,0,0,0,0|1,0,1]=4 11322 B14R1.1035 C#CCCNC(=O)c1ccccc1I 527a_100000755551_100000187884 [0,2,0,0,0,0|1,0,1]=4 11323 B14R1.1035 C#CCCNC(=O)c1ccccc1O 240690a_100000755551_100015234032 [0,2,0,0,0,0|1,0,1]=4 11324 B14R1.1035 C#CCCNC(=O)c1ccccc1[O-] 1626a_100000755551_100009911694 [0,2,0,0,0,0|1,0,1]=4 11325 B14R1.1035 C#CCCNC(=O)c1ccccc1[O-] 240690a_100000755551_100009911694 [0,2,0,0,0,0|1,0,1]=4 11326 B14R1.1035 C#CCCNC(=O)c1ccccc1[O-] 527a_100000755551_100009911694 [0,2,0,0,0,0|1,0,1]=4 11327 B14R1.1035 C#CCOCC(=O)c1ccccc1Br 34a_100000210247_100000199116 [0,2,0,0,0,0|0,0,2]=4 11328 B14R1.1035 C#CCOCC(=O)c1ccccc1C 34a_100000210247_100000741374 [0,2,0,0,0,0|0,0,2]=4 11329 B14R1.1035 C#CCOCC(=O)c1ccccc1Cl 34a_100000210247_100000211432 [0,2,0,0,0,0|0,0,2]=4 11330 B14R1.1035 C#CCOCC(=O)c1ccccc1F 34a_100000210247_100000204681 [0,2,0,0,0,0|0,0,2]=4 11331 B14R1.1035 C=CCCCC(=O)c1ccccc1Br 1458a_100000188424_100000757094 [0,2,0,0,0,0|1,0,1]=4 11332 B14R1.1035 C=CCCCC(=O)c1ccccc1C 1458a_100000212026_100000757094 [0,2,0,0,0,0|1,0,1]=4 11333 B14R1.1035 C=CCCCC(=O)c1ccccc1Cl 1458a_100000185844_100000757094 [0,2,0,0,0,0|1,0,1]=4 11334 B14R1.1035 C=CCCCC(=O)c1ccccc1F 1458a_100000188656_100000757094 [0,2,0,0,0,0|1,0,1]=4 11335 B14R1.1035 C=CCCCC(=O)c1ccccc1I 1458a_100000187884_100000757094 [0,2,0,0,0,0|1,0,1]=4 11336 B14R1.1035 C=CCCCC(=O)c1ccccc1O 1458a_100015234032_100000757094 [0,2,0,0,0,0|1,0,1]=4 11337 B14R1.1035 C=CCCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000757094 [0,2,0,0,0,0|1,0,1]=4 11338 B14R1.1035 C=CCCNC(=O)c1ccccc1Br 11a_100015191253_100000188424 [0,2,0,0,0,0|1,0,1]=4 11339 B14R1.1035 C=CCCNC(=O)c1ccccc1Br 1626a_100015191253_100000188424 [0,2,0,0,0,0|1,0,1]=4 11340 B14R1.1035 C=CCCNC(=O)c1ccccc1Br 240690a_100015191253_100000188424 [0,2,0,0,0,0|1,0,1]=4 11341 B14R1.1035 C=CCCNC(=O)c1ccccc1Br 527a_100015191253_100000188424 [0,2,0,0,0,0|1,0,1]=4 11342 B14R1.1035 C=CCCNC(=O)c1ccccc1C 11a_100015191253_100000212026 [0,2,0,0,0,0|1,0,1]=4 11343 B14R1.1035 C=CCCNC(=O)c1ccccc1C 1626a_100015191253_100000212026 [0,2,0,0,0,0|1,0,1]=4 11344 B14R1.1035 C=CCCNC(=O)c1ccccc1C 240690a_100015191253_100000212026 [0,2,0,0,0,0|1,0,1]=4 11345 B14R1.1035 C=CCCNC(=O)c1ccccc1C 527a_100015191253_100000212026 [0,2,0,0,0,0|1,0,1]=4 11346 B14R1.1035 C=CCCNC(=O)c1ccccc1Cl 11a_100015191253_100000185844 [0,2,0,0,0,0|1,0,1]=4 11347 B14R1.1035 C=CCCNC(=O)c1ccccc1Cl 1626a_100015191253_100000185844 [0,2,0,0,0,0|1,0,1]=4 11348 B14R1.1035 C=CCCNC(=O)c1ccccc1Cl 240690a_100015191253_100000185844 [0,2,0,0,0,0|1,0,1]=4 11349 B14R1.1035 C=CCCNC(=O)c1ccccc1Cl 527a_100015191253_100000185844 [0,2,0,0,0,0|1,0,1]=4 11350 B14R1.1035 C=CCCNC(=O)c1ccccc1F 11a_100015191253_100000188656 [0,2,0,0,0,0|1,0,1]=4 11351 B14R1.1035 C=CCCNC(=O)c1ccccc1F 1626a_100015191253_100000188656 [0,2,0,0,0,0|1,0,1]=4 11352 B14R1.1035 C=CCCNC(=O)c1ccccc1F 240690a_100015191253_100000188656 [0,2,0,0,0,0|1,0,1]=4 11353 B14R1.1035 C=CCCNC(=O)c1ccccc1F 527a_100015191253_100000188656 [0,2,0,0,0,0|1,0,1]=4 11354 B14R1.1035 C=CCCNC(=O)c1ccccc1I 11a_100015191253_100000187884 [0,2,0,0,0,0|1,0,1]=4 11355 B14R1.1035 C=CCCNC(=O)c1ccccc1I 1626a_100015191253_100000187884 [0,2,0,0,0,0|1,0,1]=4 11356 B14R1.1035 C=CCCNC(=O)c1ccccc1I 240690a_100015191253_100000187884 [0,2,0,0,0,0|1,0,1]=4 11357 B14R1.1035 C=CCCNC(=O)c1ccccc1I 527a_100015191253_100000187884 [0,2,0,0,0,0|1,0,1]=4 11358 B14R1.1035 C=CCCNC(=O)c1ccccc1O 240690a_100015191253_100015234032 [0,2,0,0,0,0|1,0,1]=4 11359 B14R1.1035 C=CCCNC(=O)c1ccccc1[O-] 1626a_100015191253_100009911694 [0,2,0,0,0,0|1,0,1]=4 11360 B14R1.1035 C=CCCNC(=O)c1ccccc1[O-] 240690a_100015191253_100009911694 [0,2,0,0,0,0|1,0,1]=4 11361 B14R1.1035 C=CCCNC(=O)c1ccccc1[O-] 527a_100015191253_100009911694 [0,2,0,0,0,0|1,0,1]=4 11362 B14R1.1035 C=CCOCC(=O)c1ccccc1Br 34a_200000210373_100000199116 [0,2,0,0,0,0|0,0,2]=4 11363 B14R1.1035 C=CCOCC(=O)c1ccccc1C 34a_200000210373_100000741374 [0,2,0,0,0,0|0,0,2]=4 11364 B14R1.1035 C=CCOCC(=O)c1ccccc1Cl 34a_200000210373_100000211432 [0,2,0,0,0,0|0,0,2]=4 11365 B14R1.1035 C=CCOCC(=O)c1ccccc1F 34a_200000210373_100000204681 [0,2,0,0,0,0|0,0,2]=4 11366 B14R1.1035 CC#CCNC(=O)c1ccccc1Br 11a_100000685387_100000188424 [0,2,0,0,0,0|1,0,1]=4 11367 B14R1.1035 CC#CCNC(=O)c1ccccc1Br 1626a_100000685387_100000188424 [0,2,0,0,0,0|1,0,1]=4 11368 B14R1.1035 CC#CCNC(=O)c1ccccc1Br 527a_100000685387_100000188424 [0,2,0,0,0,0|1,0,1]=4 11369 B14R1.1035 CC#CCNC(=O)c1ccccc1C 11a_100000685387_100000212026 [0,2,0,0,0,0|1,0,1]=4 11370 B14R1.1035 CC#CCNC(=O)c1ccccc1C 1626a_100000685387_100000212026 [0,2,0,0,0,0|1,0,1]=4 11371 B14R1.1035 CC#CCNC(=O)c1ccccc1C 527a_100000685387_100000212026 [0,2,0,0,0,0|1,0,1]=4 11372 B14R1.1035 CC#CCNC(=O)c1ccccc1Cl 11a_100000685387_100000185844 [0,2,0,0,0,0|1,0,1]=4 11373 B14R1.1035 CC#CCNC(=O)c1ccccc1Cl 1626a_100000685387_100000185844 [0,2,0,0,0,0|1,0,1]=4 11374 B14R1.1035 CC#CCNC(=O)c1ccccc1Cl 527a_100000685387_100000185844 [0,2,0,0,0,0|1,0,1]=4 11375 B14R1.1035 CC#CCNC(=O)c1ccccc1F 11a_100000685387_100000188656 [0,2,0,0,0,0|1,0,1]=4 11376 B14R1.1035 CC#CCNC(=O)c1ccccc1F 1626a_100000685387_100000188656 [0,2,0,0,0,0|1,0,1]=4 11377 B14R1.1035 CC#CCNC(=O)c1ccccc1F 527a_100000685387_100000188656 [0,2,0,0,0,0|1,0,1]=4 11378 B14R1.1035 CC#CCNC(=O)c1ccccc1I 11a_100000685387_100000187884 [0,2,0,0,0,0|1,0,1]=4 11379 B14R1.1035 CC#CCNC(=O)c1ccccc1I 1626a_100000685387_100000187884 [0,2,0,0,0,0|1,0,1]=4 11380 B14R1.1035 CC#CCNC(=O)c1ccccc1I 527a_100000685387_100000187884 [0,2,0,0,0,0|1,0,1]=4 11381 B14R1.1035 CC#CCNC(=O)c1ccccc1[O-] 1626a_100000685387_100009911694 [0,2,0,0,0,0|1,0,1]=4 11382 B14R1.1035 CC#CCNC(=O)c1ccccc1[O-] 527a_100000685387_100009911694 [0,2,0,0,0,0|1,0,1]=4 11383 B14R1.1035 CC(OCCCBr)c1ccccc1F 34a_100011217188_200000741388 [0,2,0,0,0,0|1,0,1]=4 11384 B14R1.1035 CC(OCCCCl)c1ccccc1F 34a_100000230001_200000741388 [0,2,0,0,0,0|1,0,1]=4 11385 B14R1.1035 CC(OCCCF)c1ccccc1Br 34a_100000702211_100011934791 [0,2,0,0,0,0|1,0,1]=4 11386 B14R1.1035 CC(OCCCF)c1ccccc1Br 7a_100000702211_100011934791 [0,2,0,0,0,0|1,0,1]=4 11387 B14R1.1035 CC(OCCCF)c1ccccc1Cl 34a_100000740796_100011934791 [0,2,0,0,0,0|1,0,1]=4 11388 B14R1.1035 CC(OCCCF)c1ccccc1Cl 7a_100000740796_100011934791 [0,2,0,0,0,0|1,0,1]=4 11389 B14R1.1035 CC(OCCCF)c1ccccc1F 34a_100000697922_100011934791 [0,2,0,0,0,0|1,0,1]=4 11390 B14R1.1035 CC(OCCCF)c1ccccc1F 34a_100000759539_200000741388 [0,2,0,0,0,0|1,0,1]=4 11391 B14R1.1035 CC(OCCCF)c1ccccc1F 7a_100000697922_100011934791 [0,2,0,0,0,0|1,0,1]=4 11392 B14R1.1035 CC(OCCCF)c1ccccc1N 7a_100011405641_100011934791 [0,2,0,0,0,0|1,0,1]=4 11393 B14R1.1035 CC(OCCCN)c1ccccc1F 34a_100000182051_200000741388 [0,2,0,0,0,0|1,0,1]=4 11394 B14R1.1035 CC(OCCCO)c1ccccc1Br 34a_100000702211_100000230001 [0,2,0,0,0,0|1,0,1]=4 11395 B14R1.1035 CC(OCCCO)c1ccccc1Br 7a_100000702211_100011215043 [0,2,0,0,0,0|1,0,1]=4 11396 B14R1.1035 CC(OCCCO)c1ccccc1Cl 34a_100000740796_100000230001 [0,2,0,0,0,0|1,0,1]=4 11397 B14R1.1035 CC(OCCCO)c1ccccc1Cl 7a_100000740796_100011215043 [0,2,0,0,0,0|1,0,1]=4 11398 B14R1.1035 CC(OCCCO)c1ccccc1F 34a_100000697922_100000230001 [0,2,0,0,0,0|1,0,1]=4 11399 B14R1.1035 CC(OCCCO)c1ccccc1F 7a_100000697922_100011215043 [0,2,0,0,0,0|1,0,1]=4 11400 B14R1.1035 CC(OCCCO)c1ccccc1N 7a_100011405641_100011215043 [0,2,0,0,0,0|1,0,1]=4 11401 B14R1.1035 CC/C=C\CC(=O)c1ccccc1Br 1458a_100000188424_100103147603 [0,2,0,0,0,0|1,0,1]=4 11402 B14R1.1035 CC/C=C\CC(=O)c1ccccc1C 1458a_100000212026_100103147603 [0,2,0,0,0,0|1,0,1]=4 11403 B14R1.1035 CC/C=C\CC(=O)c1ccccc1Cl 1458a_100000185844_100103147603 [0,2,0,0,0,0|1,0,1]=4 11404 B14R1.1035 CC/C=C\CC(=O)c1ccccc1F 1458a_100000188656_100103147603 [0,2,0,0,0,0|1,0,1]=4 11405 B14R1.1035 CC/C=C\CC(=O)c1ccccc1I 1458a_100000187884_100103147603 [0,2,0,0,0,0|1,0,1]=4 11406 B14R1.1035 CC/C=C\CC(=O)c1ccccc1O 1458a_100015234032_100103147603 [0,2,0,0,0,0|1,0,1]=4 11407 B14R1.1035 CC/C=C\CC(=O)c1ccccc1[O-] 1458a_100009911694_100103147603 [0,2,0,0,0,0|1,0,1]=4 11408 B14R1.1035 CCC#CCC(=O)c1ccccc1Br 1458a_100000188424_100009813939 [0,2,0,0,0,0|1,0,1]=4 11409 B14R1.1035 CCC#CCC(=O)c1ccccc1C 1458a_100000212026_100009813939 [0,2,0,0,0,0|1,0,1]=4 11410 B14R1.1035 CCC#CCC(=O)c1ccccc1Cl 1458a_100000185844_100009813939 [0,2,0,0,0,0|1,0,1]=4 11411 B14R1.1035 CCC#CCC(=O)c1ccccc1F 1458a_100000188656_100009813939 [0,2,0,0,0,0|1,0,1]=4 11412 B14R1.1035 CCC#CCC(=O)c1ccccc1I 1458a_100000187884_100009813939 [0,2,0,0,0,0|1,0,1]=4 11413 B14R1.1035 CCC#CCC(=O)c1ccccc1O 1458a_100015234032_100009813939 [0,2,0,0,0,0|1,0,1]=4 11414 B14R1.1035 CCC#CCC(=O)c1ccccc1[O-] 1458a_100009911694_100009813939 [0,2,0,0,0,0|1,0,1]=4 11415 B14R1.1035 CCC=NNC(=O)c1ccccc1Br 4a_100000183644_100000210100 [0,2,0,0,0,0|1,0,1]=4 11416 B14R1.1035 CCC=NNC(=O)c1ccccc1C 4a_100000181371_100000210100 [0,2,0,0,0,0|1,0,1]=4 11417 B14R1.1035 CCC=NNC(=O)c1ccccc1Cl 4a_100000186534_100000210100 [0,2,0,0,0,0|1,0,1]=4 11418 B14R1.1035 CCC=NNC(=O)c1ccccc1F 4a_100000183521_100000210100 [0,2,0,0,0,0|1,0,1]=4 11419 B14R1.1035 CCC=NNC(=O)c1ccccc1I 4a_100000190081_100000210100 [0,2,0,0,0,0|1,0,1]=4 11420 B14R1.1035 CCCCCC(=O)c1ccccc1Br 1458a_100000188424_100000210326 [0,2,0,0,0,0|1,0,0]=3 11421 B14R1.1035 CCCCCC(=O)c1ccccc1C 1458a_100000212026_100000210326 [0,2,0,0,0,0|1,0,0]=3 11422 B14R1.1035 CCCCCC(=O)c1ccccc1Cl 1458a_100000185844_100000210326 [0,2,0,0,0,0|1,0,0]=3 11423 B14R1.1035 CCCCCC(=O)c1ccccc1F 1458a_100000188656_100000210326 [0,2,0,0,0,0|1,0,0]=3 11424 B14R1.1035 CCCCCC(=O)c1ccccc1I 1458a_100000187884_100000210326 [0,2,0,0,0,0|1,0,0]=3 11425 B14R1.1035 CCCCCC(=O)c1ccccc1O 1458a_100015234032_100000210326 [0,2,0,0,0,0|1,0,0]=3 11426 B14R1.1035 CCCCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210326 [0,2,0,0,0,0|1,0,0]=3 11427 B14R1.1035 CCCCNC(=O)c1ccccc1Br 11a_100000102301_100000188424 [0,2,0,0,0,0|1,0,0]=3 11428 B14R1.1035 CCCCNC(=O)c1ccccc1Br 1626a_100000102301_100000188424 [0,2,0,0,0,0|1,0,0]=3 11429 B14R1.1035 CCCCNC(=O)c1ccccc1Br 240690a_100000102301_100000188424 [0,2,0,0,0,0|1,0,0]=3 11430 B14R1.1035 CCCCNC(=O)c1ccccc1Br 527a_100000102301_100000188424 [0,2,0,0,0,0|1,0,0]=3 11431 B14R1.1035 CCCCNC(=O)c1ccccc1C 11a_100000102301_100000212026 [0,2,0,0,0,0|1,0,0]=3 11432 B14R1.1035 CCCCNC(=O)c1ccccc1C 1626a_100000102301_100000212026 [0,2,0,0,0,0|1,0,0]=3 11433 B14R1.1035 CCCCNC(=O)c1ccccc1C 240690a_100000102301_100000212026 [0,2,0,0,0,0|1,0,0]=3 11434 B14R1.1035 CCCCNC(=O)c1ccccc1C 527a_100000102301_100000212026 [0,2,0,0,0,0|1,0,0]=3 11435 B14R1.1035 CCCCNC(=O)c1ccccc1Cl 11a_100000102301_100000185844 [0,2,0,0,0,0|1,0,0]=3 11436 B14R1.1035 CCCCNC(=O)c1ccccc1Cl 1626a_100000102301_100000185844 [0,2,0,0,0,0|1,0,0]=3 11437 B14R1.1035 CCCCNC(=O)c1ccccc1Cl 240690a_100000102301_100000185844 [0,2,0,0,0,0|1,0,0]=3 11438 B14R1.1035 CCCCNC(=O)c1ccccc1Cl 527a_100000102301_100000185844 [0,2,0,0,0,0|1,0,0]=3 11439 B14R1.1035 CCCCNC(=O)c1ccccc1F 11a_100000102301_100000188656 [0,2,0,0,0,0|1,0,0]=3 11440 B14R1.1035 CCCCNC(=O)c1ccccc1F 1626a_100000102301_100000188656 [0,2,0,0,0,0|1,0,0]=3 11441 B14R1.1035 CCCCNC(=O)c1ccccc1F 240690a_100000102301_100000188656 [0,2,0,0,0,0|1,0,0]=3 11442 B14R1.1035 CCCCNC(=O)c1ccccc1F 527a_100000102301_100000188656 [0,2,0,0,0,0|1,0,0]=3 11443 B14R1.1035 CCCCNC(=O)c1ccccc1I 11a_100000102301_100000187884 [0,2,0,0,0,0|1,0,0]=3 11444 B14R1.1035 CCCCNC(=O)c1ccccc1I 1626a_100000102301_100000187884 [0,2,0,0,0,0|1,0,0]=3 11445 B14R1.1035 CCCCNC(=O)c1ccccc1I 240690a_100000102301_100000187884 [0,2,0,0,0,0|1,0,0]=3 11446 B14R1.1035 CCCCNC(=O)c1ccccc1I 527a_100000102301_100000187884 [0,2,0,0,0,0|1,0,0]=3 11447 B14R1.1035 CCCCNC(=O)c1ccccc1O 240690a_100000102301_100015234032 [0,2,0,0,0,0|1,0,0]=3 11448 B14R1.1035 CCCCNC(=O)c1ccccc1O 271570a_203496583355_200000154865 [0,2,0,0,0,0|1,0,0]=3 11449 B14R1.1035 CCCCNC(=O)c1ccccc1[O-] 1626a_100000102301_100009911694 [0,2,0,0,0,0|1,0,0]=3 11450 B14R1.1035 CCCCNC(=O)c1ccccc1[O-] 240690a_100000102301_100009911694 [0,2,0,0,0,0|1,0,0]=3 11451 B14R1.1035 CCCCNC(=O)c1ccccc1[O-] 527a_100000102301_100009911694 [0,2,0,0,0,0|1,0,0]=3 11452 B14R1.1035 CCCCOC(C)c1ccccc1Br 34a_100000702211_100000210210 [0,2,0,0,0,0|1,0,1]=4 11453 B14R1.1035 CCCCOC(C)c1ccccc1Br 7a_100000702211_100000210211 [0,2,0,0,0,0|1,0,1]=4 11454 B14R1.1035 CCCCOC(C)c1ccccc1C 34a_100000742021_100000210210 [0,2,0,0,0,0|1,0,1]=4 11455 B14R1.1035 CCCCOC(C)c1ccccc1C 7a_100000742021_100000210211 [0,2,0,0,0,0|1,0,1]=4 11456 B14R1.1035 CCCCOC(C)c1ccccc1Cl 34a_100000740796_100000210210 [0,2,0,0,0,0|1,0,1]=4 11457 B14R1.1035 CCCCOC(C)c1ccccc1Cl 7a_100000210227_100000181259 [0,2,0,0,0,0|1,0,1]=4 11458 B14R1.1035 CCCCOC(C)c1ccccc1Cl 7a_100000740796_100000210211 [0,2,0,0,0,0|1,0,1]=4 11459 B14R1.1035 CCCCOC(C)c1ccccc1F 34a_100000210227_200000741388 [0,2,0,0,0,0|1,0,1]=4 11460 B14R1.1035 CCCCOC(C)c1ccccc1F 34a_100000697922_100000210210 [0,2,0,0,0,0|1,0,1]=4 11461 B14R1.1035 CCCCOC(C)c1ccccc1F 7a_100000210227_200000741388 [0,2,0,0,0,0|1,0,1]=4 11462 B14R1.1035 CCCCOC(C)c1ccccc1F 7a_100000697922_100000210211 [0,2,0,0,0,0|1,0,1]=4 11463 B14R1.1035 CCCCOC(C)c1ccccc1N 7a_100011405641_100000210211 [0,2,0,0,0,0|1,0,1]=4 11464 B14R1.1035 CCCNN=C(C)c1ccccc1Br 4a_100000740057_100000187085 [0,2,0,0,0,0|2,0,0]=4 11465 B14R1.1035 CCCNN=C(C)c1ccccc1C 4a_100000740057_100000211656 [0,2,0,0,0,0|2,0,0]=4 11466 B14R1.1035 CCCNN=C(C)c1ccccc1Cl 4a_100000740057_100000210134 [0,2,0,0,0,0|2,0,0]=4 11467 B14R1.1035 CCCNN=C(C)c1ccccc1F 4a_100000740057_100000210632 [0,2,0,0,0,0|2,0,0]=4 11468 B14R1.1035 CCCNN=C(C)c1ccccc1I 4a_100000740057_100000751169 [0,2,0,0,0,0|2,0,0]=4 11469 B14R1.1035 CCCNN=C(C)c1ccccc1O 4a_100000740057_100000188907 [0,2,0,0,0,0|2,0,0]=4 11470 B14R1.1035 CCCNNC(=O)c1ccccc1Br 22a_100000740057_100000188424 [0,2,0,0,0,0|1,0,0]=3 11471 B14R1.1035 CCCNNC(=O)c1ccccc1C 22a_100000740057_100000212026 [0,2,0,0,0,0|1,0,0]=3 11472 B14R1.1035 CCCNNC(=O)c1ccccc1Cl 22a_100000740057_100000185844 [0,2,0,0,0,0|1,0,0]=3 11473 B14R1.1035 CCCNNC(=O)c1ccccc1F 22a_100000740057_100000188656 [0,2,0,0,0,0|1,0,0]=3 11474 B14R1.1035 CCCNNC(=O)c1ccccc1I 22a_100000740057_100000187884 [0,2,0,0,0,0|1,0,0]=3 11475 B14R1.1035 CCCNNC(=O)c1ccccc1O 22a_100000740057_100015234032 [0,2,0,0,0,0|1,0,0]=3 11476 B14R1.1035 CCCNNC(=O)c1ccccc1[O-] 22a_100000740057_100009911694 [0,2,0,0,0,0|1,0,0]=3 11477 B14R1.1035 CCCOCC(=O)c1ccccc1Br 34a_100000210258_100000199116 [0,2,0,0,0,0|0,0,0]=2 11478 B14R1.1035 CCCOCC(=O)c1ccccc1C 34a_100000210258_100000741374 [0,2,0,0,0,0|0,0,0]=2 11479 B14R1.1035 CCCOCC(=O)c1ccccc1Cl 34a_100000210258_100000211432 [0,2,0,0,0,0|0,0,0]=2 11480 B14R1.1035 CCCOCC(=O)c1ccccc1F 34a_100000210258_100000204681 [0,2,0,0,0,0|0,0,0]=2 11481 B14R1.1035 CCCOCC(N)c1ccccc1Cl 34a_100138412506_100000210303 [0,2,0,0,0,0|1,0,1]=4 11482 B14R1.1035 CCCOC[C@@H](N)c1ccccc1Br 34a_100161155918_100000210303 [0,2,0,0,0,0|1,0,1]=4 11483 B14R1.1035 CCCOC[C@H](N)c1ccccc1F 34a_100009818778_100000210303 [0,2,0,0,0,0|1,0,1]=4 11484 B14R1.1035 CCCSCC(=O)c1ccccc1Br 62a_100000199116_100000210303 [0,2,0,0,0,0|0,1,0]=3 11485 B14R1.1035 CCCSCC(=O)c1ccccc1C 62a_100000210303_100000741374 [0,2,0,0,0,0|0,1,0]=3 11486 B14R1.1035 CCCSCC(=O)c1ccccc1C 62a_100000741374_100000210303 [0,2,0,0,0,0|0,1,0]=3 11487 B14R1.1035 CCCSCC(=O)c1ccccc1Cl 62a_100000210303_100000211432 [0,2,0,0,0,0|0,1,0]=3 11488 B14R1.1035 CCCSCC(=O)c1ccccc1Cl 62a_100000211432_100000210303 [0,2,0,0,0,0|0,1,0]=3 11489 B14R1.1035 CCCSCC(=O)c1ccccc1F 62a_100000204681_100000210303 [0,2,0,0,0,0|0,1,0]=3 11490 B14R1.1035 CCCSCC(=O)c1ccccc1F 62a_100000210303_100000204681 [0,2,0,0,0,0|0,1,0]=3 11491 B14R1.1035 CCCSCC(=O)c1ccccc1O 62a_100000188908_100000210303 [0,2,0,0,0,0|0,1,0]=3 11492 B14R1.1035 CCCSCC(=O)c1ccccc1O 62a_100000210303_100000188908 [0,2,0,0,0,0|0,1,0]=3 11493 B14R1.1035 CCNCCC(=O)c1ccccc1F 2230a_100015525214_100000086012 [0,2,0,0,0,0|1,0,0]=3 11494 B14R1.1035 CCOCCC(=O)c1ccccc1Br 1458a_100000188424_100011215890 [0,2,0,0,0,0|1,0,0]=3 11495 B14R1.1035 CCOCCC(=O)c1ccccc1C 1458a_100000212026_100011215890 [0,2,0,0,0,0|1,0,0]=3 11496 B14R1.1035 CCOCCC(=O)c1ccccc1Cl 1458a_100000185844_100011215890 [0,2,0,0,0,0|1,0,0]=3 11497 B14R1.1035 CCOCCC(=O)c1ccccc1F 1458a_100000188656_100011215890 [0,2,0,0,0,0|1,0,0]=3 11498 B14R1.1035 CCOCCC(=O)c1ccccc1I 1458a_100000187884_100011215890 [0,2,0,0,0,0|1,0,0]=3 11499 B14R1.1035 CCOCCC(=O)c1ccccc1O 1458a_100015234032_100011215890 [0,2,0,0,0,0|1,0,0]=3 11500 B14R1.1035 CCOCCC(=O)c1ccccc1[O-] 1458a_100009911694_100011215890 [0,2,0,0,0,0|1,0,0]=3 11501 B14R1.1035 CCSCCC(=O)c1ccccc1Br 1458a_100000188424_100000757381 [0,2,0,0,0,0|1,0,0]=3 11502 B14R1.1035 CCSCCC(=O)c1ccccc1C 1458a_100000212026_100000757381 [0,2,0,0,0,0|1,0,0]=3 11503 B14R1.1035 CCSCCC(=O)c1ccccc1Cl 1458a_100000185844_100000757381 [0,2,0,0,0,0|1,0,0]=3 11504 B14R1.1035 CCSCCC(=O)c1ccccc1F 1458a_100000188656_100000757381 [0,2,0,0,0,0|1,0,0]=3 11505 B14R1.1035 CCSCCC(=O)c1ccccc1F 62a_100000086012_100000210202 [0,2,0,0,0,0|1,0,0]=3 11506 B14R1.1035 CCSCCC(=O)c1ccccc1F 62a_100000210202_100000086012 [0,2,0,0,0,0|1,0,0]=3 11507 B14R1.1035 CCSCCC(=O)c1ccccc1I 1458a_100000187884_100000757381 [0,2,0,0,0,0|1,0,0]=3 11508 B14R1.1035 CCSCCC(=O)c1ccccc1O 1458a_100015234032_100000757381 [0,2,0,0,0,0|1,0,0]=3 11509 B14R1.1035 CCSCCC(=O)c1ccccc1O 62a_100000210202_100009873196 [0,2,0,0,0,0|1,0,0]=3 11510 B14R1.1035 CCSCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000757381 [0,2,0,0,0,0|1,0,0]=3 11511 B14R1.1035 CNCCNC(=O)c1ccccc1Cl 2230a_100000737833_200000210301 [0,2,0,0,0,0|1,0,0]=3 11512 B14R1.1035 CNCCNC(=O)c1ccccc1Cl 34a_100000737833_200000210301 [0,2,0,0,0,0|1,0,0]=3 11513 B14R1.1035 COCCCC(=O)c1ccccc1Br 1458a_100000188424_100000740836 [0,2,0,0,0,0|1,0,0]=3 11514 B14R1.1035 COCCCC(=O)c1ccccc1C 1458a_100000212026_100000740836 [0,2,0,0,0,0|1,0,0]=3 11515 B14R1.1035 COCCCC(=O)c1ccccc1Cl 1458a_100000185844_100000740836 [0,2,0,0,0,0|1,0,0]=3 11516 B14R1.1035 COCCCC(=O)c1ccccc1F 1458a_100000188656_100000740836 [0,2,0,0,0,0|1,0,0]=3 11517 B14R1.1035 COCCCC(=O)c1ccccc1I 1458a_100000187884_100000740836 [0,2,0,0,0,0|1,0,0]=3 11518 B14R1.1035 COCCCC(=O)c1ccccc1O 1458a_100015234032_100000740836 [0,2,0,0,0,0|1,0,0]=3 11519 B14R1.1035 COCCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000740836 [0,2,0,0,0,0|1,0,0]=3 11520 B14R1.1035 COCCNC(=O)c1ccccc1Br 1626a_100000209980_100000188424 [0,2,0,0,0,0|1,0,0]=3 11521 B14R1.1035 COCCNC(=O)c1ccccc1Br 240690a_100000209980_100000188424 [0,2,0,0,0,0|1,0,0]=3 11522 B14R1.1035 COCCNC(=O)c1ccccc1Br 34a_200000158863_200000210301 [0,2,0,0,0,0|1,0,0]=3 11523 B14R1.1035 COCCNC(=O)c1ccccc1Br 527a_100000209980_100000188424 [0,2,0,0,0,0|1,0,0]=3 11524 B14R1.1035 COCCNC(=O)c1ccccc1Br 7a_200000158863_200000210301 [0,2,0,0,0,0|1,0,0]=3 11525 B14R1.1035 COCCNC(=O)c1ccccc1C 1626a_100000209980_100000212026 [0,2,0,0,0,0|1,0,0]=3 11526 B14R1.1035 COCCNC(=O)c1ccccc1C 240690a_100000209980_100000212026 [0,2,0,0,0,0|1,0,0]=3 11527 B14R1.1035 COCCNC(=O)c1ccccc1C 527a_100000209980_100000212026 [0,2,0,0,0,0|1,0,0]=3 11528 B14R1.1035 COCCNC(=O)c1ccccc1Cl 1626a_100000209980_100000185844 [0,2,0,0,0,0|1,0,0]=3 11529 B14R1.1035 COCCNC(=O)c1ccccc1Cl 240690a_100000209980_100000185844 [0,2,0,0,0,0|1,0,0]=3 11530 B14R1.1035 COCCNC(=O)c1ccccc1Cl 527a_100000209980_100000185844 [0,2,0,0,0,0|1,0,0]=3 11531 B14R1.1035 COCCNC(=O)c1ccccc1F 1626a_100000209980_100000188656 [0,2,0,0,0,0|1,0,0]=3 11532 B14R1.1035 COCCNC(=O)c1ccccc1F 240690a_100000209980_100000188656 [0,2,0,0,0,0|1,0,0]=3 11533 B14R1.1035 COCCNC(=O)c1ccccc1F 527a_100000209980_100000188656 [0,2,0,0,0,0|1,0,0]=3 11534 B14R1.1035 COCCNC(=O)c1ccccc1I 1626a_100000209980_100000187884 [0,2,0,0,0,0|1,0,0]=3 11535 B14R1.1035 COCCNC(=O)c1ccccc1I 240690a_100000209980_100000187884 [0,2,0,0,0,0|1,0,0]=3 11536 B14R1.1035 COCCNC(=O)c1ccccc1I 527a_100000209980_100000187884 [0,2,0,0,0,0|1,0,0]=3 11537 B14R1.1035 COCCNC(=O)c1ccccc1O 240690a_100000209980_100015234032 [0,2,0,0,0,0|1,0,0]=3 11538 B14R1.1035 COCCNC(=O)c1ccccc1[O-] 1626a_100000209980_100009911694 [0,2,0,0,0,0|1,0,0]=3 11539 B14R1.1035 COCCNC(=O)c1ccccc1[O-] 240690a_100000209980_100009911694 [0,2,0,0,0,0|1,0,0]=3 11540 B14R1.1035 COCCNC(=O)c1ccccc1[O-] 527a_100000209980_100009911694 [0,2,0,0,0,0|1,0,0]=3 11541 B14R1.1035 COCCOC(C)c1ccccc1Br 34a_100000702211_100011201679 [0,2,0,0,0,0|1,0,1]=4 11542 B14R1.1035 COCCOC(C)c1ccccc1Br 7a_100000702211_100000233755 [0,2,0,0,0,0|1,0,1]=4 11543 B14R1.1035 COCCOC(C)c1ccccc1C 34a_100000742021_100011201679 [0,2,0,0,0,0|1,0,1]=4 11544 B14R1.1035 COCCOC(C)c1ccccc1C 7a_100000742021_100000233755 [0,2,0,0,0,0|1,0,1]=4 11545 B14R1.1035 COCCOC(C)c1ccccc1Cl 34a_100000740796_100011201679 [0,2,0,0,0,0|1,0,1]=4 11546 B14R1.1035 COCCOC(C)c1ccccc1Cl 7a_100000740796_100000233755 [0,2,0,0,0,0|1,0,1]=4 11547 B14R1.1035 COCCOC(C)c1ccccc1F 34a_100000210237_200000741388 [0,2,0,0,0,0|1,0,1]=4 11548 B14R1.1035 COCCOC(C)c1ccccc1F 34a_100000697922_100011201679 [0,2,0,0,0,0|1,0,1]=4 11549 B14R1.1035 COCCOC(C)c1ccccc1F 7a_100000697922_100000233755 [0,2,0,0,0,0|1,0,1]=4 11550 B14R1.1035 COCCOC(C)c1ccccc1N 7a_100011405641_100000233755 [0,2,0,0,0,0|1,0,1]=4 11551 B14R1.1035 COCSCC(=O)c1ccccc1Br 62a_100000199116_100000766300 [0,2,0,0,0,0|1,1,0]=4 11552 B14R1.1035 COCSCC(=O)c1ccccc1C 62a_100000741374_100000766300 [0,2,0,0,0,0|1,1,0]=4 11553 B14R1.1035 COCSCC(=O)c1ccccc1C 62a_100000766300_100000741374 [0,2,0,0,0,0|1,1,0]=4 11554 B14R1.1035 COCSCC(=O)c1ccccc1Cl 62a_100000211432_100000766300 [0,2,0,0,0,0|1,1,0]=4 11555 B14R1.1035 COCSCC(=O)c1ccccc1Cl 62a_100000766300_100000211432 [0,2,0,0,0,0|1,1,0]=4 11556 B14R1.1035 COCSCC(=O)c1ccccc1F 62a_100000204681_100000766300 [0,2,0,0,0,0|1,1,0]=4 11557 B14R1.1035 COCSCC(=O)c1ccccc1F 62a_100000766300_100000204681 [0,2,0,0,0,0|1,1,0]=4 11558 B14R1.1035 COCSCC(=O)c1ccccc1O 62a_100000188908_100000766300 [0,2,0,0,0,0|1,1,0]=4 11559 B14R1.1035 COCSCC(=O)c1ccccc1O 62a_100000766300_100000188908 [0,2,0,0,0,0|1,1,0]=4 11560 B14R1.1035 CSCCNC(=O)c1ccccc1Br 11a_100020590264_100000188424 [0,2,0,0,0,0|1,0,0]=3 11561 B14R1.1035 CSCCNC(=O)c1ccccc1Br 1626a_100020590264_100000188424 [0,2,0,0,0,0|1,0,0]=3 11562 B14R1.1035 CSCCNC(=O)c1ccccc1Br 240690a_100020590264_100000188424 [0,2,0,0,0,0|1,0,0]=3 11563 B14R1.1035 CSCCNC(=O)c1ccccc1Br 527a_100020590264_100000188424 [0,2,0,0,0,0|1,0,0]=3 11564 B14R1.1035 CSCCNC(=O)c1ccccc1C 11a_100020590264_100000212026 [0,2,0,0,0,0|1,0,0]=3 11565 B14R1.1035 CSCCNC(=O)c1ccccc1C 1626a_100020590264_100000212026 [0,2,0,0,0,0|1,0,0]=3 11566 B14R1.1035 CSCCNC(=O)c1ccccc1C 240690a_100020590264_100000212026 [0,2,0,0,0,0|1,0,0]=3 11567 B14R1.1035 CSCCNC(=O)c1ccccc1C 527a_100020590264_100000212026 [0,2,0,0,0,0|1,0,0]=3 11568 B14R1.1035 CSCCNC(=O)c1ccccc1Cl 11a_100020590264_100000185844 [0,2,0,0,0,0|1,0,0]=3 11569 B14R1.1035 CSCCNC(=O)c1ccccc1Cl 1626a_100020590264_100000185844 [0,2,0,0,0,0|1,0,0]=3 11570 B14R1.1035 CSCCNC(=O)c1ccccc1Cl 240690a_100020590264_100000185844 [0,2,0,0,0,0|1,0,0]=3 11571 B14R1.1035 CSCCNC(=O)c1ccccc1Cl 527a_100020590264_100000185844 [0,2,0,0,0,0|1,0,0]=3 11572 B14R1.1035 CSCCNC(=O)c1ccccc1F 11a_100020590264_100000188656 [0,2,0,0,0,0|1,0,0]=3 11573 B14R1.1035 CSCCNC(=O)c1ccccc1F 1626a_100020590264_100000188656 [0,2,0,0,0,0|1,0,0]=3 11574 B14R1.1035 CSCCNC(=O)c1ccccc1F 240690a_100020590264_100000188656 [0,2,0,0,0,0|1,0,0]=3 11575 B14R1.1035 CSCCNC(=O)c1ccccc1F 527a_100020590264_100000188656 [0,2,0,0,0,0|1,0,0]=3 11576 B14R1.1035 CSCCNC(=O)c1ccccc1I 11a_100020590264_100000187884 [0,2,0,0,0,0|1,0,0]=3 11577 B14R1.1035 CSCCNC(=O)c1ccccc1I 1626a_100020590264_100000187884 [0,2,0,0,0,0|1,0,0]=3 11578 B14R1.1035 CSCCNC(=O)c1ccccc1I 240690a_100020590264_100000187884 [0,2,0,0,0,0|1,0,0]=3 11579 B14R1.1035 CSCCNC(=O)c1ccccc1I 527a_100020590264_100000187884 [0,2,0,0,0,0|1,0,0]=3 11580 B14R1.1035 CSCCNC(=O)c1ccccc1O 240690a_100020590264_100015234032 [0,2,0,0,0,0|1,0,0]=3 11581 B14R1.1035 CSCCNC(=O)c1ccccc1[O-] 1626a_100020590264_100009911694 [0,2,0,0,0,0|1,0,0]=3 11582 B14R1.1035 CSCCNC(=O)c1ccccc1[O-] 240690a_100020590264_100009911694 [0,2,0,0,0,0|1,0,0]=3 11583 B14R1.1035 CSCCNC(=O)c1ccccc1[O-] 527a_100020590264_100009911694 [0,2,0,0,0,0|1,0,0]=3 11584 B14R1.1035 CSCCOC(C)c1ccccc1Br 34a_100000702211_100000212216 [0,2,0,0,0,0|1,0,1]=4 11585 B14R1.1035 CSCCOC(C)c1ccccc1Br 7a_100000702211_100000212216 [0,2,0,0,0,0|1,0,1]=4 11586 B14R1.1035 CSCCOC(C)c1ccccc1C 34a_100000742021_100000212216 [0,2,0,0,0,0|1,0,1]=4 11587 B14R1.1035 CSCCOC(C)c1ccccc1C 7a_100000742021_100000212216 [0,2,0,0,0,0|1,0,1]=4 11588 B14R1.1035 CSCCOC(C)c1ccccc1Cl 34a_100000740796_100000212216 [0,2,0,0,0,0|1,0,1]=4 11589 B14R1.1035 CSCCOC(C)c1ccccc1Cl 7a_100000230434_100000181259 [0,2,0,0,0,0|1,0,1]=4 11590 B14R1.1035 CSCCOC(C)c1ccccc1Cl 7a_100000740796_100000212216 [0,2,0,0,0,0|1,0,1]=4 11591 B14R1.1035 CSCCOC(C)c1ccccc1F 34a_100000230434_200000741388 [0,2,0,0,0,0|1,0,1]=4 11592 B14R1.1035 CSCCOC(C)c1ccccc1F 34a_100000697922_100000212216 [0,2,0,0,0,0|1,0,1]=4 11593 B14R1.1035 CSCCOC(C)c1ccccc1F 7a_100000230434_200000741388 [0,2,0,0,0,0|1,0,1]=4 11594 B14R1.1035 CSCCOC(C)c1ccccc1F 7a_100000697922_100000212216 [0,2,0,0,0,0|1,0,1]=4 11595 B14R1.1035 CSCCOC(C)c1ccccc1N 7a_100011405641_100000212216 [0,2,0,0,0,0|1,0,1]=4 11596 B14R1.1035 CSCSCC(=O)c1ccccc1Br 62a_100000199116_100011218213 [0,2,0,0,0,0|1,1,0]=4 11597 B14R1.1035 CSCSCC(=O)c1ccccc1C 62a_100000741374_100011218213 [0,2,0,0,0,0|1,1,0]=4 11598 B14R1.1035 CSCSCC(=O)c1ccccc1C 62a_100011218213_100000741374 [0,2,0,0,0,0|1,1,0]=4 11599 B14R1.1035 CSCSCC(=O)c1ccccc1Cl 62a_100000211432_100011218213 [0,2,0,0,0,0|1,1,0]=4 11600 B14R1.1035 CSCSCC(=O)c1ccccc1Cl 62a_100011218213_100000211432 [0,2,0,0,0,0|1,1,0]=4 11601 B14R1.1035 CSCSCC(=O)c1ccccc1F 62a_100000204681_100011218213 [0,2,0,0,0,0|1,1,0]=4 11602 B14R1.1035 CSCSCC(=O)c1ccccc1F 62a_100011218213_100000204681 [0,2,0,0,0,0|1,1,0]=4 11603 B14R1.1035 CSCSCC(=O)c1ccccc1O 62a_100000188908_100011218213 [0,2,0,0,0,0|1,1,0]=4 11604 B14R1.1035 CSCSCC(=O)c1ccccc1O 62a_100011218213_100000188908 [0,2,0,0,0,0|1,1,0]=4 11605 B14R1.1035 Cc1ccccc1C(=O)CCCC#N 1458a_100000212026_100000211468 [0,2,0,0,0,0|1,0,1]=4 11606 B14R1.1035 Cc1ccccc1C(=O)CCCCF 1458a_100000212026_100000729493 [0,2,0,0,0,0|1,0,0]=3 11607 B14R1.1035 Cc1ccccc1C(=O)CCCCO 1458a_100000212026_100000210776 [0,2,0,0,0,0|1,0,0]=3 11608 B14R1.1035 Cc1ccccc1C(=O)CNCCF 34a_100000724931_100000741374 [0,2,0,0,0,0|2,0,0]=4 11609 B14R1.1035 Cc1ccccc1C(=O)CNCCO 2230a_100016997473_100000741374 [0,2,0,0,0,0|2,0,0]=4 11610 B14R1.1035 Cc1ccccc1C(=O)CNCCO 34a_100016990907_100000741374 [0,2,0,0,0,0|2,0,0]=4 11611 B14R1.1035 Cc1ccccc1C(=O)COCCBr 34a_100000211926_100000741374 [0,2,0,0,0,0|1,0,0]=3 11612 B14R1.1035 Cc1ccccc1C(=O)COCCN 34a_100000210304_100000741374 [0,2,0,0,0,0|1,0,0]=3 11613 B14R1.1035 Cc1ccccc1C(=O)CSCCF 62a_100000741374_100011217306 [0,2,0,0,0,0|1,1,0]=4 11614 B14R1.1035 Cc1ccccc1C(=O)CSCCF 62a_100011217306_100000741374 [0,2,0,0,0,0|1,1,0]=4 11615 B14R1.1035 Cc1ccccc1C(=O)CSCCO 62a_100000211926_100000741374 [0,2,0,0,0,0|1,1,0]=4 11616 B14R1.1035 Cc1ccccc1C(=O)CSCCO 62a_100000741374_100000211926 [0,2,0,0,0,0|1,1,0]=4 11617 B14R1.1035 Cc1ccccc1C(=O)NCCC#N 11a_100000720768_100000212026 [0,2,0,0,0,0|1,0,1]=4 11618 B14R1.1035 Cc1ccccc1C(=O)NCCC#N 1626a_100000720768_100000212026 [0,2,0,0,0,0|1,0,1]=4 11619 B14R1.1035 Cc1ccccc1C(=O)NCCC#N 240690a_100000720768_100000212026 [0,2,0,0,0,0|1,0,1]=4 11620 B14R1.1035 Cc1ccccc1C(=O)NCCC#N 527a_100000720768_100000212026 [0,2,0,0,0,0|1,0,1]=4 11621 B14R1.1035 Cc1ccccc1C(=O)NCCCF 11a_100015189416_100000212026 [0,2,0,0,0,0|1,0,0]=3 11622 B14R1.1035 Cc1ccccc1C(=O)NCCCF 1626a_100015189416_100000212026 [0,2,0,0,0,0|1,0,0]=3 11623 B14R1.1035 Cc1ccccc1C(=O)NCCCF 240690a_100015189416_100000212026 [0,2,0,0,0,0|1,0,0]=3 11624 B14R1.1035 Cc1ccccc1C(=O)NCCCF 527a_100015189416_100000212026 [0,2,0,0,0,0|1,0,0]=3 11625 B14R1.1035 Cc1ccccc1C(=O)NCCCO 240690a_100000182051_100000212026 [0,2,0,0,0,0|1,0,0]=3 11626 B14R1.1035 Cc1ccccc1C(=O)NCCCO 527a_100000182051_100000212026 [0,2,0,0,0,0|1,0,0]=3 11627 B14R1.1035 Cc1ccccc1C(=O)NNCCO 22a_100000210001_100000212026 [0,2,0,0,0,0|2,0,0]=4 11628 B14R1.1035 Cc1ccccc1C(C)OCCCF 34a_100000742021_100011934791 [0,2,0,0,0,0|1,0,1]=4 11629 B14R1.1035 Cc1ccccc1C(C)OCCCF 7a_100000742021_100011934791 [0,2,0,0,0,0|1,0,1]=4 11630 B14R1.1035 Cc1ccccc1C(C)OCCCO 34a_100000742021_100000230001 [0,2,0,0,0,0|1,0,1]=4 11631 B14R1.1035 Cc1ccccc1C(C)OCCCO 7a_100000742021_100011215043 [0,2,0,0,0,0|1,0,1]=4 11632 B14R1.1035 N#CCCCC(=O)c1ccccc1Br 1458a_100000188424_100000211468 [0,2,0,0,0,0|1,0,1]=4 11633 B14R1.1035 N#CCCCC(=O)c1ccccc1Cl 1458a_100000185844_100000211468 [0,2,0,0,0,0|1,0,1]=4 11634 B14R1.1035 N#CCCCC(=O)c1ccccc1F 1458a_100000188656_100000211468 [0,2,0,0,0,0|1,0,1]=4 11635 B14R1.1035 N#CCCCC(=O)c1ccccc1I 1458a_100000187884_100000211468 [0,2,0,0,0,0|1,0,1]=4 11636 B14R1.1035 N#CCCCC(=O)c1ccccc1O 1458a_100015234032_100000211468 [0,2,0,0,0,0|1,0,1]=4 11637 B14R1.1035 N#CCCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000211468 [0,2,0,0,0,0|1,0,1]=4 11638 B14R1.1035 N#CCCNC(=O)c1ccccc1Br 11a_100000720768_100000188424 [0,2,0,0,0,0|1,0,1]=4 11639 B14R1.1035 N#CCCNC(=O)c1ccccc1Br 1626a_100000720768_100000188424 [0,2,0,0,0,0|1,0,1]=4 11640 B14R1.1035 N#CCCNC(=O)c1ccccc1Br 240690a_100000720768_100000188424 [0,2,0,0,0,0|1,0,1]=4 11641 B14R1.1035 N#CCCNC(=O)c1ccccc1Br 527a_100000720768_100000188424 [0,2,0,0,0,0|1,0,1]=4 11642 B14R1.1035 N#CCCNC(=O)c1ccccc1Cl 11a_100000720768_100000185844 [0,2,0,0,0,0|1,0,1]=4 11643 B14R1.1035 N#CCCNC(=O)c1ccccc1Cl 1626a_100000720768_100000185844 [0,2,0,0,0,0|1,0,1]=4 11644 B14R1.1035 N#CCCNC(=O)c1ccccc1Cl 240690a_100000720768_100000185844 [0,2,0,0,0,0|1,0,1]=4 11645 B14R1.1035 N#CCCNC(=O)c1ccccc1Cl 527a_100000720768_100000185844 [0,2,0,0,0,0|1,0,1]=4 11646 B14R1.1035 N#CCCNC(=O)c1ccccc1F 11a_100000720768_100000188656 [0,2,0,0,0,0|1,0,1]=4 11647 B14R1.1035 N#CCCNC(=O)c1ccccc1F 1626a_100000720768_100000188656 [0,2,0,0,0,0|1,0,1]=4 11648 B14R1.1035 N#CCCNC(=O)c1ccccc1F 240690a_100000720768_100000188656 [0,2,0,0,0,0|1,0,1]=4 11649 B14R1.1035 N#CCCNC(=O)c1ccccc1F 527a_100000720768_100000188656 [0,2,0,0,0,0|1,0,1]=4 11650 B14R1.1035 N#CCCNC(=O)c1ccccc1I 11a_100000720768_100000187884 [0,2,0,0,0,0|1,0,1]=4 11651 B14R1.1035 N#CCCNC(=O)c1ccccc1I 1626a_100000720768_100000187884 [0,2,0,0,0,0|1,0,1]=4 11652 B14R1.1035 N#CCCNC(=O)c1ccccc1I 240690a_100000720768_100000187884 [0,2,0,0,0,0|1,0,1]=4 11653 B14R1.1035 N#CCCNC(=O)c1ccccc1I 527a_100000720768_100000187884 [0,2,0,0,0,0|1,0,1]=4 11654 B14R1.1035 N#CCCNC(=O)c1ccccc1O 240690a_100000720768_100015234032 [0,2,0,0,0,0|1,0,1]=4 11655 B14R1.1035 N#CCCNC(=O)c1ccccc1[O-] 1626a_100000720768_100009911694 [0,2,0,0,0,0|1,0,1]=4 11656 B14R1.1035 N#CCCNC(=O)c1ccccc1[O-] 240690a_100000720768_100009911694 [0,2,0,0,0,0|1,0,1]=4 11657 B14R1.1035 N#CCCNC(=O)c1ccccc1[O-] 527a_100000720768_100009911694 [0,2,0,0,0,0|1,0,1]=4 11658 B14R1.1035 NCCOCC(=O)c1ccccc1Br 34a_100000210304_100000199116 [0,2,0,0,0,0|1,0,0]=3 11659 B14R1.1035 NCCOCC(=O)c1ccccc1Cl 34a_100000210304_100000211432 [0,2,0,0,0,0|1,0,0]=3 11660 B14R1.1035 NCCOCC(=O)c1ccccc1F 34a_100000210304_100000204681 [0,2,0,0,0,0|1,0,0]=3 11661 B14R1.1035 O=C(CCCCF)c1ccccc1Br 1458a_100000188424_100000729493 [0,2,0,0,0,0|1,0,0]=3 11662 B14R1.1035 O=C(CCCCF)c1ccccc1Cl 1458a_100000185844_100000729493 [0,2,0,0,0,0|1,0,0]=3 11663 B14R1.1035 O=C(CCCCF)c1ccccc1F 1458a_100000188656_100000729493 [0,2,0,0,0,0|1,0,0]=3 11664 B14R1.1035 O=C(CCCCF)c1ccccc1I 1458a_100000187884_100000729493 [0,2,0,0,0,0|1,0,0]=3 11665 B14R1.1035 O=C(CCCCF)c1ccccc1O 1458a_100015234032_100000729493 [0,2,0,0,0,0|1,0,0]=3 11666 B14R1.1035 O=C(CCCCF)c1ccccc1[O-] 1458a_100009911694_100000729493 [0,2,0,0,0,0|1,0,0]=3 11667 B14R1.1035 O=C(CCCCO)c1ccccc1Br 1458a_100000188424_100000210776 [0,2,0,0,0,0|1,0,0]=3 11668 B14R1.1035 O=C(CCCCO)c1ccccc1Cl 1458a_100000185844_100000210776 [0,2,0,0,0,0|1,0,0]=3 11669 B14R1.1035 O=C(CCCCO)c1ccccc1F 1458a_100000188656_100000210776 [0,2,0,0,0,0|1,0,0]=3 11670 B14R1.1035 O=C(CCCCO)c1ccccc1I 1458a_100000187884_100000210776 [0,2,0,0,0,0|1,0,0]=3 11671 B14R1.1035 O=C(CCCCO)c1ccccc1O 1458a_100015234032_100000210776 [0,2,0,0,0,0|1,0,0]=3 11672 B14R1.1035 O=C(CCCCO)c1ccccc1[O-] 1458a_100009911694_100000210776 [0,2,0,0,0,0|1,0,0]=3 11673 B14R1.1035 O=C(CCSCF)c1ccccc1F 62a_100000086012_100015361967 [0,2,0,0,0,0|2,0,0]=4 11674 B14R1.1035 O=C(CCSCF)c1ccccc1F 62a_100015361967_100000086012 [0,2,0,0,0,0|2,0,0]=4 11675 B14R1.1035 O=C(CCSCF)c1ccccc1O 62a_100015361967_100009873196 [0,2,0,0,0,0|2,0,0]=4 11676 B14R1.1035 O=C(CNCCF)c1ccccc1Br 34a_100000724931_100000199116 [0,2,0,0,0,0|2,0,0]=4 11677 B14R1.1035 O=C(CNCCF)c1ccccc1Cl 34a_100000724931_100000211432 [0,2,0,0,0,0|2,0,0]=4 11678 B14R1.1035 O=C(CNCCF)c1ccccc1F 34a_100000724931_100000204681 [0,2,0,0,0,0|2,0,0]=4 11679 B14R1.1035 O=C(CNCCO)c1ccccc1Br 34a_100016990907_100000199116 [0,2,0,0,0,0|2,0,0]=4 11680 B14R1.1035 O=C(CNCCO)c1ccccc1Cl 34a_100016990907_100000211432 [0,2,0,0,0,0|2,0,0]=4 11681 B14R1.1035 O=C(CNCCO)c1ccccc1F 34a_100016990907_100000204681 [0,2,0,0,0,0|2,0,0]=4 11682 B14R1.1035 O=C(COCCBr)c1ccccc1Br 34a_100000211926_100000199116 [0,2,0,0,0,0|1,0,0]=3 11683 B14R1.1035 O=C(COCCBr)c1ccccc1Cl 34a_100000211926_100000211432 [0,2,0,0,0,0|1,0,0]=3 11684 B14R1.1035 O=C(COCCBr)c1ccccc1F 34a_100000211926_100000204681 [0,2,0,0,0,0|1,0,0]=3 11685 B14R1.1035 O=C(CSCCF)c1ccccc1Br 62a_100000199116_100011217306 [0,2,0,0,0,0|1,1,0]=4 11686 B14R1.1035 O=C(CSCCF)c1ccccc1Cl 62a_100000211432_100011217306 [0,2,0,0,0,0|1,1,0]=4 11687 B14R1.1035 O=C(CSCCF)c1ccccc1Cl 62a_100011217306_100000211432 [0,2,0,0,0,0|1,1,0]=4 11688 B14R1.1035 O=C(CSCCF)c1ccccc1F 62a_100000204681_100011217306 [0,2,0,0,0,0|1,1,0]=4 11689 B14R1.1035 O=C(CSCCF)c1ccccc1F 62a_100011217306_100000204681 [0,2,0,0,0,0|1,1,0]=4 11690 B14R1.1035 O=C(CSCCF)c1ccccc1O 62a_100000188908_100011217306 [0,2,0,0,0,0|1,1,0]=4 11691 B14R1.1035 O=C(CSCCF)c1ccccc1O 62a_100011217306_100000188908 [0,2,0,0,0,0|1,1,0]=4 11692 B14R1.1035 O=C(CSCCO)c1ccccc1Br 62a_100000199116_100000211926 [0,2,0,0,0,0|1,1,0]=4 11693 B14R1.1035 O=C(CSCCO)c1ccccc1Cl 62a_100000211432_100000211926 [0,2,0,0,0,0|1,1,0]=4 11694 B14R1.1035 O=C(CSCCO)c1ccccc1Cl 62a_100000211926_100000211432 [0,2,0,0,0,0|1,1,0]=4 11695 B14R1.1035 O=C(CSCCO)c1ccccc1F 62a_100000204681_100000211926 [0,2,0,0,0,0|1,1,0]=4 11696 B14R1.1035 O=C(CSCCO)c1ccccc1F 62a_100000211926_100000204681 [0,2,0,0,0,0|1,1,0]=4 11697 B14R1.1035 O=C(CSCCO)c1ccccc1O 62a_100000188908_100000211926 [0,2,0,0,0,0|1,1,0]=4 11698 B14R1.1035 O=C(CSCCO)c1ccccc1O 62a_100000211926_100000188908 [0,2,0,0,0,0|1,1,0]=4 11699 B14R1.1035 O=C(NCCCF)c1ccccc1Br 11a_100015189416_100000188424 [0,2,0,0,0,0|1,0,0]=3 11700 B14R1.1035 O=C(NCCCF)c1ccccc1Br 1626a_100015189416_100000188424 [0,2,0,0,0,0|1,0,0]=3 11701 B14R1.1035 O=C(NCCCF)c1ccccc1Br 240690a_100015189416_100000188424 [0,2,0,0,0,0|1,0,0]=3 11702 B14R1.1035 O=C(NCCCF)c1ccccc1Br 527a_100015189416_100000188424 [0,2,0,0,0,0|1,0,0]=3 11703 B14R1.1035 O=C(NCCCF)c1ccccc1Cl 11a_100015189416_100000185844 [0,2,0,0,0,0|1,0,0]=3 11704 B14R1.1035 O=C(NCCCF)c1ccccc1Cl 1626a_100015189416_100000185844 [0,2,0,0,0,0|1,0,0]=3 11705 B14R1.1035 O=C(NCCCF)c1ccccc1Cl 240690a_100015189416_100000185844 [0,2,0,0,0,0|1,0,0]=3 11706 B14R1.1035 O=C(NCCCF)c1ccccc1Cl 527a_100015189416_100000185844 [0,2,0,0,0,0|1,0,0]=3 11707 B14R1.1035 O=C(NCCCF)c1ccccc1F 11a_100015189416_100000188656 [0,2,0,0,0,0|1,0,0]=3 11708 B14R1.1035 O=C(NCCCF)c1ccccc1F 1626a_100015189416_100000188656 [0,2,0,0,0,0|1,0,0]=3 11709 B14R1.1035 O=C(NCCCF)c1ccccc1F 240690a_100015189416_100000188656 [0,2,0,0,0,0|1,0,0]=3 11710 B14R1.1035 O=C(NCCCF)c1ccccc1F 527a_100015189416_100000188656 [0,2,0,0,0,0|1,0,0]=3 11711 B14R1.1035 O=C(NCCCF)c1ccccc1I 11a_100015189416_100000187884 [0,2,0,0,0,0|1,0,0]=3 11712 B14R1.1035 O=C(NCCCF)c1ccccc1I 1626a_100015189416_100000187884 [0,2,0,0,0,0|1,0,0]=3 11713 B14R1.1035 O=C(NCCCF)c1ccccc1I 240690a_100015189416_100000187884 [0,2,0,0,0,0|1,0,0]=3 11714 B14R1.1035 O=C(NCCCF)c1ccccc1I 527a_100015189416_100000187884 [0,2,0,0,0,0|1,0,0]=3 11715 B14R1.1035 O=C(NCCCF)c1ccccc1O 240690a_100015189416_100015234032 [0,2,0,0,0,0|1,0,0]=3 11716 B14R1.1035 O=C(NCCCF)c1ccccc1[O-] 1626a_100015189416_100009911694 [0,2,0,0,0,0|1,0,0]=3 11717 B14R1.1035 O=C(NCCCF)c1ccccc1[O-] 240690a_100015189416_100009911694 [0,2,0,0,0,0|1,0,0]=3 11718 B14R1.1035 O=C(NCCCF)c1ccccc1[O-] 527a_100015189416_100009911694 [0,2,0,0,0,0|1,0,0]=3 11719 B14R1.1035 O=C(NCCCO)c1ccccc1Br 240690a_100000182051_100000188424 [0,2,0,0,0,0|1,0,0]=3 11720 B14R1.1035 O=C(NCCCO)c1ccccc1Br 527a_100000182051_100000188424 [0,2,0,0,0,0|1,0,0]=3 11721 B14R1.1035 O=C(NCCCO)c1ccccc1Cl 240690a_100000182051_100000185844 [0,2,0,0,0,0|1,0,0]=3 11722 B14R1.1035 O=C(NCCCO)c1ccccc1Cl 527a_100000182051_100000185844 [0,2,0,0,0,0|1,0,0]=3 11723 B14R1.1035 O=C(NCCCO)c1ccccc1F 240690a_100000182051_100000188656 [0,2,0,0,0,0|1,0,0]=3 11724 B14R1.1035 O=C(NCCCO)c1ccccc1F 527a_100000182051_100000188656 [0,2,0,0,0,0|1,0,0]=3 11725 B14R1.1035 O=C(NCCCO)c1ccccc1I 240690a_100000182051_100000187884 [0,2,0,0,0,0|1,0,0]=3 11726 B14R1.1035 O=C(NCCCO)c1ccccc1I 527a_100000182051_100000187884 [0,2,0,0,0,0|1,0,0]=3 11727 B14R1.1035 O=C(NCCCO)c1ccccc1O 240690a_100000182051_100015234032 [0,2,0,0,0,0|1,0,0]=3 11728 B14R1.1035 O=C(NCCCO)c1ccccc1[O-] 240690a_100000182051_100009911694 [0,2,0,0,0,0|1,0,0]=3 11729 B14R1.1035 O=C(NCCCO)c1ccccc1[O-] 527a_100000182051_100009911694 [0,2,0,0,0,0|1,0,0]=3 11730 B14R1.1035 O=C(NNCCO)c1ccccc1Br 22a_100000210001_100000188424 [0,2,0,0,0,0|2,0,0]=4 11731 B14R1.1035 O=C(NNCCO)c1ccccc1Cl 22a_100000210001_100000185844 [0,2,0,0,0,0|2,0,0]=4 11732 B14R1.1035 O=C(NNCCO)c1ccccc1F 22a_100000210001_100000188656 [0,2,0,0,0,0|2,0,0]=4 11733 B14R1.1035 O=C(NNCCO)c1ccccc1I 22a_100000210001_100000187884 [0,2,0,0,0,0|2,0,0]=4 11734 B14R1.1035 O=C(NNCCO)c1ccccc1O 22a_100000210001_100015234032 [0,2,0,0,0,0|2,0,0]=4 11735 B14R1.1035 O=C(NNCCO)c1ccccc1[O-] 22a_100000210001_100009911694 [0,2,0,0,0,0|2,0,0]=4 11736 B14R1.1035 [13CH3]NCCNC(=O)c1ccccc1Cl 2230a_100000737833_200025704644 [0,2,0,0,0,0|1,0,0]=3 11737 B14R1.1035 [13CH3]NCCNC(=O)c1ccccc1Cl 34a_100000737833_200025704644 [0,2,0,0,0,0|1,0,0]=3 11738 B14R1.1035 [13CH3]OCCNC(=O)c1ccccc1Br 34a_200000158863_200025704644 [0,2,0,0,0,0|1,0,0]=3 11739 B14R1.1035 [13CH3]OCCNC(=O)c1ccccc1Br 7a_200000158863_200025704644 [0,2,0,0,0,0|1,0,0]=3 11740 B14R1.171 C=CCC(OCCC)c1ccccc1 34a_100000687291_100000210303 [0,2,0,0,0,0|1,0,1]=4 11741 B14R1.171 C=CCC(OCCC)c1ccccc1 7a_100000687291_100000210303 [0,2,0,0,0,0|1,0,1]=4 11742 B14R1.171 CCCCN(CC=O)c1ccccc1 2230a_100000211623_200015260668 [0,2,0,0,0,0|2,0,0]=4 11743 B14R1.171 CCCCN(CC=O)c1ccccc1 269982a_100000211623_200015260668 [0,2,0,0,0,0|2,0,0]=4 11744 B14R1.171 CCCCN(CC=O)c1ccccc1 34a_100000211623_200009817547 [0,2,0,0,0,0|2,0,0]=4 11745 B14R1.171 CCCOC(CCC)c1ccccc1 34a_100000747916_100000210303 [0,2,0,0,0,0|1,0,1]=4 11746 B14R1.171 CCCOC(CCC)c1ccccc1 7a_100000747916_100000210303 [0,2,0,0,0,0|1,0,1]=4 11747 B14R1.171 CCCOC(CCN)c1ccccc1 34a_100000763605_100000210303 [0,2,0,0,0,0|1,0,1]=4 11748 B14R1.171 CCCO[C@H](CC#N)c1ccccc1 7a_100009817555_100000210303 [0,2,0,0,0,0|1,0,1]=4 11749 B14R1.171 CCCO[C@H](CCCl)c1ccccc1 34a_100000729684_100000210303 [0,2,0,0,0,0|1,0,1]=4 11750 B14R1.171 CCCO[C@H](CCCl)c1ccccc1 7a_100000729684_100000210303 [0,2,0,0,0,0|1,0,1]=4 11751 B14R1.175 C#CC(C)(OCCC)c1ccccc1 34a_100000198054_100000210303 [0,2,0,0,0,0|1,0,1]=4 11752 B14R1.175 C#CC(C)(OCCC)c1ccccc1 7a_100000198054_100000210303 [0,2,0,0,0,0|1,0,1]=4 11753 B14R1.175 CCCOC(C)(CC)c1ccccc1 7a_100000748282_100000210303 [0,2,0,0,0,0|1,0,1]=4 11754 B14R1.178 C=C(C)C(OCCC)c1ccccc1 34a_200011216824_100000210303 [0,2,0,0,0,0|1,0,1]=4 11755 B14R1.178 C=C(C)C(OCCC)c1ccccc1 7a_200011216824_100000210303 [0,2,0,0,0,0|1,0,1]=4 11756 B14R1.178 CCCCN(C(=O)C)c1ccccc1 11a_100000211623_100015343762 [0,2,0,0,0,0|2,0,0]=4 11757 B14R1.178 CCCCN(C(=O)C)c1ccccc1 1626a_100000211623_100015343762 [0,2,0,0,0,0|2,0,0]=4 11758 B14R1.178 CCCCN(C(=O)C)c1ccccc1 22a_100000211623_100000070787 [0,2,0,0,0,0|2,0,0]=4 11759 B14R1.178 CCCNC(C(=O)O)c1ccccc1 269956a_100000230147_100000210207 [0,2,0,0,0,0|1,0,1]=4 11760 B14R1.178 CCCN[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_100000210303 [0,2,0,0,0,0|1,0,1]=4 11761 B14R1.178 CCCOC(C(=O)N)c1ccccc1 34a_100011200849_100000210303 [0,2,0,0,0,0|0,0,1]=3 11762 B14R1.178 CCCOC(C(=O)N)c1ccccc1 7a_100011200849_100000210303 [0,2,0,0,0,0|0,0,1]=3 11763 B14R1.178 CCCOC(c1ccccc1)C(C)C 34a_200011217822_100000210303 [0,2,0,0,0,0|1,0,1]=4 11764 B14R1.178 CCCOC(c1ccccc1)C(C)C 7a_200011217822_100000210303 [0,2,0,0,0,0|1,0,1]=4 11765 B14R1.178 CCCSC(C(=O)C)c1ccccc1 62a_100000210303_100009888967 [0,2,0,0,0,0|0,1,1]=4 11766 B14R1.178 CCCSC(C(=O)C)c1ccccc1 62a_100009888967_100000210303 [0,2,0,0,0,0|0,1,1]=4 11767 B14R1.178 CCCSC(C(=O)N)c1ccccc1 62a_100000188848_100000210303 [0,2,0,0,0,0|0,1,1]=4 11768 B14R1.178 CCCSC(C(=O)N)c1ccccc1 62a_100000210303_100000188848 [0,2,0,0,0,0|0,1,1]=4 11769 B14R1.178 CSCOC(C(=O)N)c1ccccc1 34a_100011200849_100011218213 [0,2,0,0,0,0|1,0,1]=4 11770 B14R1.178 NC(=O)C(OCCF)c1ccccc1 34a_100011200849_100011217306 [0,2,0,0,0,0|1,0,1]=4 11771 B14R1.178 NC(=O)C(OCCF)c1ccccc1 7a_100011200849_100011217306 [0,2,0,0,0,0|1,0,1]=4 11772 B14R1.178 NC(=O)C(OCCO)c1ccccc1 34a_100011200849_100000211926 [0,2,0,0,0,0|1,0,1]=4 11773 B14R1.178 NC(=O)C(OCCO)c1ccccc1 7a_100011200849_100000211926 [0,2,0,0,0,0|1,0,1]=4 11774 B14R1.540 C#CC(OCC(C)C)c1ccccc1 34a_100011219616_100000210624 [0,2,0,0,0,0|1,0,1]=4 11775 B14R1.540 C#CC(OCC(C)C)c1ccccc1 7a_100011219616_100000210760 [0,2,0,0,0,0|1,0,1]=4 11776 B14R1.540 C#CC(OCC(C)O)c1ccccc1 34a_100011219616_100011218427 [0,2,0,0,0,0|1,0,1]=4 11777 B14R1.540 C#CC(OCC(C)O)c1ccccc1 7a_100011219616_100011218427 [0,2,0,0,0,0|1,0,1]=4 11778 B14R1.540 C#CC(OC[C@@H](C)O)c1ccccc1 34a_100011219616_100009817552 [0,2,0,0,0,0|1,0,1]=4 11779 B14R1.540 C#CC(OC[C@@H](C)O)c1ccccc1 7a_100011219616_100009817552 [0,2,0,0,0,0|1,0,1]=4 11780 B14R1.540 C=CC(OCC(C)C)c1ccccc1 34a_100011215659_100000210624 [0,2,0,0,0,0|1,0,1]=4 11781 B14R1.540 C=CC(OCC(C)C)c1ccccc1 7a_100011215659_100000210760 [0,2,0,0,0,0|1,0,1]=4 11782 B14R1.540 C=CC(OCC(C)O)c1ccccc1 34a_100011215659_100011218427 [0,2,0,0,0,0|1,0,1]=4 11783 B14R1.540 C=CC(OCC(C)O)c1ccccc1 7a_100011215659_100011218427 [0,2,0,0,0,0|1,0,1]=4 11784 B14R1.540 C=CC(OC[C@@H](C)O)c1ccccc1 34a_100011215659_100009817552 [0,2,0,0,0,0|1,0,1]=4 11785 B14R1.540 C=CC(OC[C@@H](C)O)c1ccccc1 7a_100011215659_100009817552 [0,2,0,0,0,0|1,0,1]=4 11786 B14R1.540 CC(C)COC(C#N)c1ccccc1 7a_100011217353_100000210760 [0,2,0,0,0,0|1,0,1]=4 11787 B14R1.540 CC(C)COC(CBr)c1ccccc1 7a_100000185958_100000210760 [0,2,0,0,0,0|1,0,1]=4 11788 B14R1.540 CC(C)COC(CN)c1ccccc1 34a_100000210709_100000210624 [0,2,0,0,0,0|1,0,1]=4 11789 B14R1.540 CC(C)CO[C@H](CCl)c1ccccc1 34a_100011933945_100000210624 [0,2,0,0,0,0|1,0,1]=4 11790 B14R1.540 CC(C)CO[C@H](CCl)c1ccccc1 7a_100011933945_100000210760 [0,2,0,0,0,0|1,0,1]=4 11791 B14R1.540 CC(O)COC(C#N)c1ccccc1 7a_100011217353_100011218427 [0,2,0,0,0,0|1,0,1]=4 11792 B14R1.540 CC(O)COC(CBr)c1ccccc1 7a_100000185958_100011218427 [0,2,0,0,0,0|1,0,1]=4 11793 B14R1.540 CC(O)COC(CN)c1ccccc1 34a_100000210709_100011218427 [0,2,0,0,0,0|1,0,1]=4 11794 B14R1.540 CC(O)CO[C@H](CCl)c1ccccc1 34a_100011933945_100011218427 [0,2,0,0,0,0|1,0,1]=4 11795 B14R1.540 CC(O)CO[C@H](CCl)c1ccccc1 7a_100011933945_100011218427 [0,2,0,0,0,0|1,0,1]=4 11796 B14R1.540 CCC(OCC(C)C)c1ccccc1 34a_100000698172_100000210624 [0,2,0,0,0,0|1,0,1]=4 11797 B14R1.540 CCC(OCC(C)C)c1ccccc1 7a_100000698172_100000210760 [0,2,0,0,0,0|1,0,1]=4 11798 B14R1.540 CCC(OCC(C)O)c1ccccc1 34a_100000698172_100011218427 [0,2,0,0,0,0|1,0,1]=4 11799 B14R1.540 CCC(OCC(C)O)c1ccccc1 7a_100000698172_100011218427 [0,2,0,0,0,0|1,0,1]=4 11800 B14R1.540 CCC(OC[C@@H](C)O)c1ccccc1 34a_100000698172_100009817552 [0,2,0,0,0,0|1,0,1]=4 11801 B14R1.540 CCC(OC[C@@H](C)O)c1ccccc1 7a_100000698172_100009817552 [0,2,0,0,0,0|1,0,1]=4 11802 B14R1.540 C[C@@H](O)COC(C#N)c1ccccc1 7a_100011217353_100009817552 [0,2,0,0,0,0|1,0,1]=4 11803 B14R1.540 C[C@@H](O)COC(CBr)c1ccccc1 7a_100000185958_100009817552 [0,2,0,0,0,0|1,0,1]=4 11804 B14R1.540 C[C@@H](O)COC(CN)c1ccccc1 34a_100000210709_100009817552 [0,2,0,0,0,0|1,0,1]=4 11805 B14R1.540 C[C@@H](O)CO[C@H](CCl)c1ccccc1 34a_100011933945_100009817552 [0,2,0,0,0,0|1,0,1]=4 11806 B14R1.540 C[C@@H](O)CO[C@H](CCl)c1ccccc1 7a_100011933945_100009817552 [0,2,0,0,0,0|1,0,1]=4 11807 B14R1.3111 CCCOC(C#N)c1ccccc1Cl 7a_200011294979_100000210303 [0,2,0,0,0,0|1,0,1]=4 11808 B14R1.3111 CCCOC(CC)c1ccccc1F 34a_200011689290_100000210303 [0,2,0,0,0,0|1,0,1]=4 11809 B14R1.3111 CCCOC(CC)c1ccccc1F 7a_200011689290_100000210303 [0,2,0,0,0,0|1,0,1]=4 11810 B14R1.3111 CCCOC(CN)c1ccccc1Br 34a_100011236429_100000210303 [0,2,0,0,0,0|1,0,1]=4 11811 B14R1.3111 CCCOC(CN)c1ccccc1Cl 34a_200000759403_100000210303 [0,2,0,0,0,0|1,0,1]=4 11812 B14R1.160 C=C(C)CCC(=O)c1ccccc1Br 1458a_100000188424_100000730704 [0,2,0,0,0,0|1,0,1]=4 11813 B14R1.160 C=C(C)CCC(=O)c1ccccc1C 1458a_100000212026_100000730704 [0,2,0,0,0,0|1,0,1]=4 11814 B14R1.160 C=C(C)CCC(=O)c1ccccc1Cl 1458a_100000185844_100000730704 [0,2,0,0,0,0|1,0,1]=4 11815 B14R1.160 C=C(C)CCC(=O)c1ccccc1F 1458a_100000188656_100000730704 [0,2,0,0,0,0|1,0,1]=4 11816 B14R1.160 C=C(C)CCC(=O)c1ccccc1I 1458a_100000187884_100000730704 [0,2,0,0,0,0|1,0,1]=4 11817 B14R1.160 C=C(C)CCC(=O)c1ccccc1O 1458a_100015234032_100000730704 [0,2,0,0,0,0|1,0,1]=4 11818 B14R1.160 C=C(C)CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000730704 [0,2,0,0,0,0|1,0,1]=4 11819 B14R1.160 C=C(C)CNC(=O)c1ccccc1Br 11a_100000765925_100000188424 [0,2,0,0,0,0|1,0,1]=4 11820 B14R1.160 C=C(C)CNC(=O)c1ccccc1Br 1626a_100000765925_100000188424 [0,2,0,0,0,0|1,0,1]=4 11821 B14R1.160 C=C(C)CNC(=O)c1ccccc1Br 240690a_100000765925_100000188424 [0,2,0,0,0,0|1,0,1]=4 11822 B14R1.160 C=C(C)CNC(=O)c1ccccc1Br 527a_100000765925_100000188424 [0,2,0,0,0,0|1,0,1]=4 11823 B14R1.160 C=C(C)CNC(=O)c1ccccc1C 11a_100000765925_100000212026 [0,2,0,0,0,0|1,0,1]=4 11824 B14R1.160 C=C(C)CNC(=O)c1ccccc1C 1626a_100000765925_100000212026 [0,2,0,0,0,0|1,0,1]=4 11825 B14R1.160 C=C(C)CNC(=O)c1ccccc1C 240690a_100000765925_100000212026 [0,2,0,0,0,0|1,0,1]=4 11826 B14R1.160 C=C(C)CNC(=O)c1ccccc1C 527a_100000765925_100000212026 [0,2,0,0,0,0|1,0,1]=4 11827 B14R1.160 C=C(C)CNC(=O)c1ccccc1Cl 11a_100000765925_100000185844 [0,2,0,0,0,0|1,0,1]=4 11828 B14R1.160 C=C(C)CNC(=O)c1ccccc1Cl 1626a_100000765925_100000185844 [0,2,0,0,0,0|1,0,1]=4 11829 B14R1.160 C=C(C)CNC(=O)c1ccccc1Cl 240690a_100000765925_100000185844 [0,2,0,0,0,0|1,0,1]=4 11830 B14R1.160 C=C(C)CNC(=O)c1ccccc1Cl 527a_100000765925_100000185844 [0,2,0,0,0,0|1,0,1]=4 11831 B14R1.160 C=C(C)CNC(=O)c1ccccc1F 11a_100000765925_100000188656 [0,2,0,0,0,0|1,0,1]=4 11832 B14R1.160 C=C(C)CNC(=O)c1ccccc1F 1626a_100000765925_100000188656 [0,2,0,0,0,0|1,0,1]=4 11833 B14R1.160 C=C(C)CNC(=O)c1ccccc1F 240690a_100000765925_100000188656 [0,2,0,0,0,0|1,0,1]=4 11834 B14R1.160 C=C(C)CNC(=O)c1ccccc1F 527a_100000765925_100000188656 [0,2,0,0,0,0|1,0,1]=4 11835 B14R1.160 C=C(C)CNC(=O)c1ccccc1I 11a_100000765925_100000187884 [0,2,0,0,0,0|1,0,1]=4 11836 B14R1.160 C=C(C)CNC(=O)c1ccccc1I 1626a_100000765925_100000187884 [0,2,0,0,0,0|1,0,1]=4 11837 B14R1.160 C=C(C)CNC(=O)c1ccccc1I 240690a_100000765925_100000187884 [0,2,0,0,0,0|1,0,1]=4 11838 B14R1.160 C=C(C)CNC(=O)c1ccccc1I 527a_100000765925_100000187884 [0,2,0,0,0,0|1,0,1]=4 11839 B14R1.160 C=C(C)CNC(=O)c1ccccc1O 240690a_100000765925_100015234032 [0,2,0,0,0,0|1,0,1]=4 11840 B14R1.160 C=C(C)CNC(=O)c1ccccc1[O-] 1626a_100000765925_100009911694 [0,2,0,0,0,0|1,0,1]=4 11841 B14R1.160 C=C(C)CNC(=O)c1ccccc1[O-] 240690a_100000765925_100009911694 [0,2,0,0,0,0|1,0,1]=4 11842 B14R1.160 C=C(C)CNC(=O)c1ccccc1[O-] 527a_100000765925_100009911694 [0,2,0,0,0,0|1,0,1]=4 11843 B14R1.160 CC(=O)CCC(=O)c1ccccc1F 1458a_100000070787_100000086012 [0,2,0,0,0,0|1,0,1]=4 11844 B14R1.160 CC(=O)CNC(=O)c1ccccc1C 1458a_100000184812_200000210301 [0,2,0,0,0,0|1,0,1]=4 11845 B14R1.160 CC(=O)CNC(=O)c1ccccc1Cl 1458a_100000182550_200000210301 [0,2,0,0,0,0|1,0,1]=4 11846 B14R1.160 CC(=O)CNC(=O)c1ccccc1F 1458a_100000182453_200000210301 [0,2,0,0,0,0|1,0,1]=4 11847 B14R1.160 CC(=O)CNC(=O)c1ccccc1I 1458a_100000194700_200000210301 [0,2,0,0,0,0|1,0,1]=4 11848 B14R1.160 CC(=O)CNC(=O)c1ccccc1O 1458a_100011193979_200000210301 [0,2,0,0,0,0|1,0,1]=4 11849 B14R1.160 CC(=O)COC(=O)c1ccccc1O 271570a_203496583355_201991511838 [0,2,0,0,0,0|0,0,1]=3 11850 B14R1.160 CC(Br)COC(C)c1ccccc1F 34a_100012180447_200000741388 [0,2,0,0,0,0|1,0,1]=4 11851 B14R1.160 CC(C)CCC(=O)c1ccccc1Br 1458a_100000188424_100000210312 [0,2,0,0,0,0|1,0,0]=3 11852 B14R1.160 CC(C)CCC(=O)c1ccccc1Cl 1458a_100000185844_100000210312 [0,2,0,0,0,0|1,0,0]=3 11853 B14R1.160 CC(C)CCC(=O)c1ccccc1F 1458a_100000188656_100000210312 [0,2,0,0,0,0|1,0,0]=3 11854 B14R1.160 CC(C)CCC(=O)c1ccccc1I 1458a_100000187884_100000210312 [0,2,0,0,0,0|1,0,0]=3 11855 B14R1.160 CC(C)CCC(=O)c1ccccc1O 1458a_100015234032_100000210312 [0,2,0,0,0,0|1,0,0]=3 11856 B14R1.160 CC(C)CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210312 [0,2,0,0,0,0|1,0,0]=3 11857 B14R1.160 CC(C)CNC(=O)c1ccccc1Br 11a_100000210953_100000188424 [0,2,0,0,0,0|1,0,0]=3 11858 B14R1.160 CC(C)CNC(=O)c1ccccc1Br 1626a_100000210953_100000188424 [0,2,0,0,0,0|1,0,0]=3 11859 B14R1.160 CC(C)CNC(=O)c1ccccc1Br 240690a_100000210953_100000188424 [0,2,0,0,0,0|1,0,0]=3 11860 B14R1.160 CC(C)CNC(=O)c1ccccc1Br 527a_100000210953_100000188424 [0,2,0,0,0,0|1,0,0]=3 11861 B14R1.160 CC(C)CNC(=O)c1ccccc1Cl 11a_100000210953_100000185844 [0,2,0,0,0,0|1,0,0]=3 11862 B14R1.160 CC(C)CNC(=O)c1ccccc1Cl 1626a_100000210953_100000185844 [0,2,0,0,0,0|1,0,0]=3 11863 B14R1.160 CC(C)CNC(=O)c1ccccc1Cl 240690a_100000210953_100000185844 [0,2,0,0,0,0|1,0,0]=3 11864 B14R1.160 CC(C)CNC(=O)c1ccccc1Cl 527a_100000210953_100000185844 [0,2,0,0,0,0|1,0,0]=3 11865 B14R1.160 CC(C)CNC(=O)c1ccccc1F 11a_100000210953_100000188656 [0,2,0,0,0,0|1,0,0]=3 11866 B14R1.160 CC(C)CNC(=O)c1ccccc1F 1626a_100000210953_100000188656 [0,2,0,0,0,0|1,0,0]=3 11867 B14R1.160 CC(C)CNC(=O)c1ccccc1F 240690a_100000210953_100000188656 [0,2,0,0,0,0|1,0,0]=3 11868 B14R1.160 CC(C)CNC(=O)c1ccccc1F 527a_100000210953_100000188656 [0,2,0,0,0,0|1,0,0]=3 11869 B14R1.160 CC(C)CNC(=O)c1ccccc1I 11a_100000210953_100000187884 [0,2,0,0,0,0|1,0,0]=3 11870 B14R1.160 CC(C)CNC(=O)c1ccccc1I 1626a_100000210953_100000187884 [0,2,0,0,0,0|1,0,0]=3 11871 B14R1.160 CC(C)CNC(=O)c1ccccc1I 240690a_100000210953_100000187884 [0,2,0,0,0,0|1,0,0]=3 11872 B14R1.160 CC(C)CNC(=O)c1ccccc1I 527a_100000210953_100000187884 [0,2,0,0,0,0|1,0,0]=3 11873 B14R1.160 CC(C)CNC(=O)c1ccccc1O 240690a_100000210953_100015234032 [0,2,0,0,0,0|1,0,0]=3 11874 B14R1.160 CC(C)CNC(=O)c1ccccc1O 271570a_203496583355_200000155729 [0,2,0,0,0,0|1,0,0]=3 11875 B14R1.160 CC(C)CNC(=O)c1ccccc1[O-] 1626a_100000210953_100009911694 [0,2,0,0,0,0|1,0,0]=3 11876 B14R1.160 CC(C)CNC(=O)c1ccccc1[O-] 240690a_100000210953_100009911694 [0,2,0,0,0,0|1,0,0]=3 11877 B14R1.160 CC(C)CNC(=O)c1ccccc1[O-] 527a_100000210953_100009911694 [0,2,0,0,0,0|1,0,0]=3 11878 B14R1.160 CC(C)COC(C)c1ccccc1Br 34a_100000702211_100000210624 [0,2,0,0,0,0|1,0,1]=4 11879 B14R1.160 CC(C)COC(C)c1ccccc1Br 7a_100000702211_100000210760 [0,2,0,0,0,0|1,0,1]=4 11880 B14R1.160 CC(C)COC(C)c1ccccc1Cl 34a_100000740796_100000210624 [0,2,0,0,0,0|1,0,1]=4 11881 B14R1.160 CC(C)COC(C)c1ccccc1Cl 7a_100000740796_100000210760 [0,2,0,0,0,0|1,0,1]=4 11882 B14R1.160 CC(C)COC(C)c1ccccc1F 34a_100000210257_200000741388 [0,2,0,0,0,0|1,0,1]=4 11883 B14R1.160 CC(C)COC(C)c1ccccc1F 34a_100000697922_100000210624 [0,2,0,0,0,0|1,0,1]=4 11884 B14R1.160 CC(C)COC(C)c1ccccc1F 7a_100000697922_100000210760 [0,2,0,0,0,0|1,0,1]=4 11885 B14R1.160 CC(C)COC(C)c1ccccc1N 7a_100011405641_100000210760 [0,2,0,0,0,0|1,0,1]=4 11886 B14R1.160 CC(C)NCC(=O)c1ccccc1Br 34a_100138425928_100000199116 [0,2,0,0,0,0|2,0,0]=4 11887 B14R1.160 CC(C)NCC(=O)c1ccccc1Cl 34a_100138425928_100000211432 [0,2,0,0,0,0|2,0,0]=4 11888 B14R1.160 CC(C)NCC(=O)c1ccccc1F 34a_100138425928_100000204681 [0,2,0,0,0,0|2,0,0]=4 11889 B14R1.160 CC(C)NNC(=O)c1ccccc1Br 22a_100000741168_100000188424 [0,2,0,0,0,0|2,0,0]=4 11890 B14R1.160 CC(C)NNC(=O)c1ccccc1Cl 22a_100000741168_100000185844 [0,2,0,0,0,0|2,0,0]=4 11891 B14R1.160 CC(C)NNC(=O)c1ccccc1F 22a_100000741168_100000188656 [0,2,0,0,0,0|2,0,0]=4 11892 B14R1.160 CC(C)NNC(=O)c1ccccc1I 22a_100000741168_100000187884 [0,2,0,0,0,0|2,0,0]=4 11893 B14R1.160 CC(C)NNC(=O)c1ccccc1O 22a_100000741168_100015234032 [0,2,0,0,0,0|2,0,0]=4 11894 B14R1.160 CC(C)NNC(=O)c1ccccc1[O-] 22a_100000741168_100009911694 [0,2,0,0,0,0|2,0,0]=4 11895 B14R1.160 CC(C)OCC(=O)c1ccccc1Br 34a_100000212225_100000199116 [0,2,0,0,0,0|2,0,0]=4 11896 B14R1.160 CC(C)OCC(=O)c1ccccc1Cl 34a_100000212225_100000211432 [0,2,0,0,0,0|2,0,0]=4 11897 B14R1.160 CC(C)OCC(=O)c1ccccc1F 34a_100000212225_100000204681 [0,2,0,0,0,0|2,0,0]=4 11898 B14R1.160 CC(C)SCC(=O)c1ccccc1Br 62a_100000199116_100000210206 [0,2,0,0,0,0|2,0,0]=4 11899 B14R1.160 CC(C)SCC(=O)c1ccccc1Cl 62a_100000210206_100000211432 [0,2,0,0,0,0|2,0,0]=4 11900 B14R1.160 CC(C)SCC(=O)c1ccccc1Cl 62a_100000211432_100000210206 [0,2,0,0,0,0|2,0,0]=4 11901 B14R1.160 CC(C)SCC(=O)c1ccccc1F 62a_100000204681_100000210206 [0,2,0,0,0,0|2,0,0]=4 11902 B14R1.160 CC(C)SCC(=O)c1ccccc1F 62a_100000210206_100000204681 [0,2,0,0,0,0|2,0,0]=4 11903 B14R1.160 CC(C)SCC(=O)c1ccccc1O 62a_100000188908_100000210206 [0,2,0,0,0,0|2,0,0]=4 11904 B14R1.160 CC(C)SCC(=O)c1ccccc1O 62a_100000210206_100000188908 [0,2,0,0,0,0|2,0,0]=4 11905 B14R1.160 CC(F)COC(C)c1ccccc1F 34a_100015925927_200000741388 [0,2,0,0,0,0|1,0,1]=4 11906 B14R1.160 CC(O)CCC(=O)c1ccccc1Br 1458a_100000188424_100012276601 [0,2,0,0,0,0|1,0,0]=3 11907 B14R1.160 CC(O)CCC(=O)c1ccccc1Cl 1458a_100000185844_100012276601 [0,2,0,0,0,0|1,0,0]=3 11908 B14R1.160 CC(O)CCC(=O)c1ccccc1F 1458a_100000188656_100012276601 [0,2,0,0,0,0|1,0,0]=3 11909 B14R1.160 CC(O)CCC(=O)c1ccccc1I 1458a_100000187884_100012276601 [0,2,0,0,0,0|1,0,0]=3 11910 B14R1.160 CC(O)CCC(=O)c1ccccc1O 1458a_100015234032_100012276601 [0,2,0,0,0,0|1,0,0]=3 11911 B14R1.160 CC(O)CCC(=O)c1ccccc1[O-] 1458a_100009911694_100012276601 [0,2,0,0,0,0|1,0,0]=3 11912 B14R1.160 CC(O)CNC(=O)c1ccccc1Br 11a_100000210904_100000188424 [0,2,0,0,0,0|1,0,0]=3 11913 B14R1.160 CC(O)CNC(=O)c1ccccc1Br 240690a_100000210904_100000188424 [0,2,0,0,0,0|1,0,0]=3 11914 B14R1.160 CC(O)CNC(=O)c1ccccc1Br 527a_100000210904_100000188424 [0,2,0,0,0,0|1,0,0]=3 11915 B14R1.160 CC(O)CNC(=O)c1ccccc1Cl 11a_100000210904_100000185844 [0,2,0,0,0,0|1,0,0]=3 11916 B14R1.160 CC(O)CNC(=O)c1ccccc1Cl 240690a_100000210904_100000185844 [0,2,0,0,0,0|1,0,0]=3 11917 B14R1.160 CC(O)CNC(=O)c1ccccc1Cl 527a_100000210904_100000185844 [0,2,0,0,0,0|1,0,0]=3 11918 B14R1.160 CC(O)CNC(=O)c1ccccc1F 11a_100000210904_100000188656 [0,2,0,0,0,0|1,0,0]=3 11919 B14R1.160 CC(O)CNC(=O)c1ccccc1F 240690a_100000210904_100000188656 [0,2,0,0,0,0|1,0,0]=3 11920 B14R1.160 CC(O)CNC(=O)c1ccccc1F 527a_100000210904_100000188656 [0,2,0,0,0,0|1,0,0]=3 11921 B14R1.160 CC(O)CNC(=O)c1ccccc1I 11a_100000210904_100000187884 [0,2,0,0,0,0|1,0,0]=3 11922 B14R1.160 CC(O)CNC(=O)c1ccccc1I 240690a_100000210904_100000187884 [0,2,0,0,0,0|1,0,0]=3 11923 B14R1.160 CC(O)CNC(=O)c1ccccc1I 527a_100000210904_100000187884 [0,2,0,0,0,0|1,0,0]=3 11924 B14R1.160 CC(O)CNC(=O)c1ccccc1O 240690a_100000210904_100015234032 [0,2,0,0,0,0|1,0,0]=3 11925 B14R1.160 CC(O)CNC(=O)c1ccccc1[O-] 240690a_100000210904_100009911694 [0,2,0,0,0,0|1,0,0]=3 11926 B14R1.160 CC(O)CNC(=O)c1ccccc1[O-] 527a_100000210904_100009911694 [0,2,0,0,0,0|1,0,0]=3 11927 B14R1.160 CC(O)COC(C)c1ccccc1Br 34a_100000702211_100011218427 [0,2,0,0,0,0|1,0,1]=4 11928 B14R1.160 CC(O)COC(C)c1ccccc1Br 7a_100000702211_100011218427 [0,2,0,0,0,0|1,0,1]=4 11929 B14R1.160 CC(O)COC(C)c1ccccc1Cl 34a_100000740796_100011218427 [0,2,0,0,0,0|1,0,1]=4 11930 B14R1.160 CC(O)COC(C)c1ccccc1Cl 7a_100000740796_100011218427 [0,2,0,0,0,0|1,0,1]=4 11931 B14R1.160 CC(O)COC(C)c1ccccc1F 34a_100000697922_100011218427 [0,2,0,0,0,0|1,0,1]=4 11932 B14R1.160 CC(O)COC(C)c1ccccc1F 7a_100000697922_100011218427 [0,2,0,0,0,0|1,0,1]=4 11933 B14R1.160 CC(O)COC(C)c1ccccc1N 7a_100011405641_100011218427 [0,2,0,0,0,0|1,0,1]=4 11934 B14R1.160 CC(OC[C@@H](C)Cl)c1ccccc1F 34a_100016084084_200000741388 [0,2,0,0,0,0|1,0,1]=4 11935 B14R1.160 CC(OC[C@@H](C)N)c1ccccc1F 34a_100000737577_200000741388 [0,2,0,0,0,0|1,0,1]=4 11936 B14R1.160 CC(OC[C@@H](C)O)c1ccccc1Br 34a_100000702211_100009817552 [0,2,0,0,0,0|1,0,1]=4 11937 B14R1.160 CC(OC[C@@H](C)O)c1ccccc1Br 7a_100000702211_100009817552 [0,2,0,0,0,0|1,0,1]=4 11938 B14R1.160 CC(OC[C@@H](C)O)c1ccccc1Cl 34a_100000740796_100009817552 [0,2,0,0,0,0|1,0,1]=4 11939 B14R1.160 CC(OC[C@@H](C)O)c1ccccc1Cl 7a_100000740796_100009817552 [0,2,0,0,0,0|1,0,1]=4 11940 B14R1.160 CC(OC[C@@H](C)O)c1ccccc1F 34a_100000697922_100009817552 [0,2,0,0,0,0|1,0,1]=4 11941 B14R1.160 CC(OC[C@@H](C)O)c1ccccc1F 7a_100000697922_100009817552 [0,2,0,0,0,0|1,0,1]=4 11942 B14R1.160 CC(OC[C@@H](C)O)c1ccccc1N 7a_100011405641_100009817552 [0,2,0,0,0,0|1,0,1]=4 11943 B14R1.160 CN(C)CCC(=O)c1ccccc1F 2230a_100102631434_100000086012 [0,2,0,0,0,0|2,0,0]=4 11944 B14R1.160 CN(C)CCC(=O)c1ccccc1F 269982a_100102631434_100000086012 [0,2,0,0,0,0|2,0,0]=4 11945 B14R1.160 CN(C)CCC(=O)c1ccccc1O 269982a_100102631434_100009873196 [0,2,0,0,0,0|2,0,0]=4 11946 B14R1.160 Cc1ccccc1C(=O)CCC(C)C 1458a_100000212026_100000210312 [0,2,0,0,0,0|1,0,0]=3 11947 B14R1.160 Cc1ccccc1C(=O)CCC(C)O 1458a_100000212026_100012276601 [0,2,0,0,0,0|1,0,0]=3 11948 B14R1.160 Cc1ccccc1C(=O)CNC(C)C 2230a_100138425928_100000741374 [0,2,0,0,0,0|2,0,0]=4 11949 B14R1.160 Cc1ccccc1C(=O)CNC(C)C 34a_100138425928_100000741374 [0,2,0,0,0,0|2,0,0]=4 11950 B14R1.160 Cc1ccccc1C(=O)COC(C)C 34a_100000212225_100000741374 [0,2,0,0,0,0|2,0,0]=4 11951 B14R1.160 Cc1ccccc1C(=O)CSC(C)C 62a_100000210206_100000741374 [0,2,0,0,0,0|2,0,0]=4 11952 B14R1.160 Cc1ccccc1C(=O)CSC(C)C 62a_100000741374_100000210206 [0,2,0,0,0,0|2,0,0]=4 11953 B14R1.160 Cc1ccccc1C(=O)NCC(=O)[13CH3] 1458a_100000184812_200025704644 [0,2,0,0,0,0|1,0,1]=4 11954 B14R1.160 Cc1ccccc1C(=O)NCC(C)C 11a_100000210953_100000212026 [0,2,0,0,0,0|1,0,0]=3 11955 B14R1.160 Cc1ccccc1C(=O)NCC(C)C 1626a_100000210953_100000212026 [0,2,0,0,0,0|1,0,0]=3 11956 B14R1.160 Cc1ccccc1C(=O)NCC(C)C 240690a_100000210953_100000212026 [0,2,0,0,0,0|1,0,0]=3 11957 B14R1.160 Cc1ccccc1C(=O)NCC(C)C 527a_100000210953_100000212026 [0,2,0,0,0,0|1,0,0]=3 11958 B14R1.160 Cc1ccccc1C(=O)NCC(C)O 11a_100000210904_100000212026 [0,2,0,0,0,0|1,0,0]=3 11959 B14R1.160 Cc1ccccc1C(=O)NCC(C)O 240690a_100000210904_100000212026 [0,2,0,0,0,0|1,0,0]=3 11960 B14R1.160 Cc1ccccc1C(=O)NCC(C)O 527a_100000210904_100000212026 [0,2,0,0,0,0|1,0,0]=3 11961 B14R1.160 Cc1ccccc1C(=O)NCC(F)F 11a_100000765723_100000212026 [0,2,0,0,0,0|2,0,0]=4 11962 B14R1.160 Cc1ccccc1C(=O)NCC(F)F 1626a_100000765723_100000212026 [0,2,0,0,0,0|2,0,0]=4 11963 B14R1.160 Cc1ccccc1C(=O)NCC(F)F 240690a_100000765723_100000212026 [0,2,0,0,0,0|2,0,0]=4 11964 B14R1.160 Cc1ccccc1C(=O)NCC(F)F 527a_100000765723_100000212026 [0,2,0,0,0,0|2,0,0]=4 11965 B14R1.160 Cc1ccccc1C(=O)NNC(C)C 22a_100000741168_100000212026 [0,2,0,0,0,0|2,0,0]=4 11966 B14R1.160 Cc1ccccc1C(C)OCC(C)C 34a_100000742021_100000210624 [0,2,0,0,0,0|1,0,1]=4 11967 B14R1.160 Cc1ccccc1C(C)OCC(C)C 7a_100000742021_100000210760 [0,2,0,0,0,0|1,0,1]=4 11968 B14R1.160 Cc1ccccc1C(C)OCC(C)O 34a_100000742021_100011218427 [0,2,0,0,0,0|1,0,1]=4 11969 B14R1.160 Cc1ccccc1C(C)OCC(C)O 7a_100000742021_100011218427 [0,2,0,0,0,0|1,0,1]=4 11970 B14R1.160 Cc1ccccc1C(C)OC[C@@H](C)O 34a_100000742021_100009817552 [0,2,0,0,0,0|1,0,1]=4 11971 B14R1.160 Cc1ccccc1C(C)OC[C@@H](C)O 7a_100000742021_100009817552 [0,2,0,0,0,0|1,0,1]=4 11972 B14R1.160 O=C(NCC(F)F)c1ccccc1Br 11a_100000765723_100000188424 [0,2,0,0,0,0|2,0,0]=4 11973 B14R1.160 O=C(NCC(F)F)c1ccccc1Br 1626a_100000765723_100000188424 [0,2,0,0,0,0|2,0,0]=4 11974 B14R1.160 O=C(NCC(F)F)c1ccccc1Br 240690a_100000765723_100000188424 [0,2,0,0,0,0|2,0,0]=4 11975 B14R1.160 O=C(NCC(F)F)c1ccccc1Br 527a_100000765723_100000188424 [0,2,0,0,0,0|2,0,0]=4 11976 B14R1.160 O=C(NCC(F)F)c1ccccc1Cl 11a_100000765723_100000185844 [0,2,0,0,0,0|2,0,0]=4 11977 B14R1.160 O=C(NCC(F)F)c1ccccc1Cl 1626a_100000765723_100000185844 [0,2,0,0,0,0|2,0,0]=4 11978 B14R1.160 O=C(NCC(F)F)c1ccccc1Cl 240690a_100000765723_100000185844 [0,2,0,0,0,0|2,0,0]=4 11979 B14R1.160 O=C(NCC(F)F)c1ccccc1Cl 527a_100000765723_100000185844 [0,2,0,0,0,0|2,0,0]=4 11980 B14R1.160 O=C(NCC(F)F)c1ccccc1F 11a_100000765723_100000188656 [0,2,0,0,0,0|2,0,0]=4 11981 B14R1.160 O=C(NCC(F)F)c1ccccc1F 1626a_100000765723_100000188656 [0,2,0,0,0,0|2,0,0]=4 11982 B14R1.160 O=C(NCC(F)F)c1ccccc1F 240690a_100000765723_100000188656 [0,2,0,0,0,0|2,0,0]=4 11983 B14R1.160 O=C(NCC(F)F)c1ccccc1F 527a_100000765723_100000188656 [0,2,0,0,0,0|2,0,0]=4 11984 B14R1.160 O=C(NCC(F)F)c1ccccc1I 11a_100000765723_100000187884 [0,2,0,0,0,0|2,0,0]=4 11985 B14R1.160 O=C(NCC(F)F)c1ccccc1I 1626a_100000765723_100000187884 [0,2,0,0,0,0|2,0,0]=4 11986 B14R1.160 O=C(NCC(F)F)c1ccccc1I 240690a_100000765723_100000187884 [0,2,0,0,0,0|2,0,0]=4 11987 B14R1.160 O=C(NCC(F)F)c1ccccc1I 527a_100000765723_100000187884 [0,2,0,0,0,0|2,0,0]=4 11988 B14R1.160 O=C(NCC(F)F)c1ccccc1O 240690a_100000765723_100015234032 [0,2,0,0,0,0|2,0,0]=4 11989 B14R1.160 O=C(NCC(F)F)c1ccccc1[O-] 1626a_100000765723_100009911694 [0,2,0,0,0,0|2,0,0]=4 11990 B14R1.160 O=C(NCC(F)F)c1ccccc1[O-] 240690a_100000765723_100009911694 [0,2,0,0,0,0|2,0,0]=4 11991 B14R1.160 O=C(NCC(F)F)c1ccccc1[O-] 527a_100000765723_100009911694 [0,2,0,0,0,0|2,0,0]=4 11992 B14R1.160 [13CH3]C(=O)CNC(=O)c1ccccc1Cl 1458a_100000182550_200025704644 [0,2,0,0,0,0|1,0,1]=4 11993 B14R1.160 [13CH3]C(=O)CNC(=O)c1ccccc1F 1458a_100000182453_200025704644 [0,2,0,0,0,0|1,0,1]=4 11994 B14R1.160 [13CH3]C(=O)CNC(=O)c1ccccc1I 1458a_100000194700_200025704644 [0,2,0,0,0,0|1,0,1]=4 11995 B14R1.160 [13CH3]C(=O)CNC(=O)c1ccccc1O 1458a_100011193979_200025704644 [0,2,0,0,0,0|1,0,1]=4 11996 B14R1.417 C=C(C(=O)CC(C)C)c1ccccc1 1458a_100000065200_100000210624 [0,2,0,0,0,0|2,0,0]=4 11997 B14R1.417 C=C(C(=O)CC(C)O)c1ccccc1 1458a_100000065200_100011218427 [0,2,0,0,0,0|2,0,0]=4 11998 B14R1.417 C=C(C)CN(C)C(=O)c1ccccc1 11a_100000225649_100000185807 [0,2,0,0,0,0|1,0,1]=4 11999 B14R1.417 C=C(C)CN(C)C(=O)c1ccccc1 1626a_100000225649_100000185807 [0,2,0,0,0,0|1,0,1]=4 12000 B14R1.417 C=C(C)CN(C)C(=O)c1ccccc1 527a_100000225649_100000185807 [0,2,0,0,0,0|1,0,1]=4 12001 B14R1.417 CC(=O)CN(C)C(=O)c1ccccc1 1458a_100000194983_200000210301 [0,2,0,0,0,0|1,0,1]=4 12002 B14R1.417 CC(C)CC(C)C(=O)c1ccccc1 1458a_100000185807_100000731052 [0,2,0,0,0,0|1,0,0]=3 12003 B14R1.417 CC(C)CN(C)C(=O)c1ccccc1 11a_100000747067_100000185807 [0,2,0,0,0,0|1,0,0]=3 12004 B14R1.417 CC(C)CN(C)C(=O)c1ccccc1 1626a_100000747067_100000185807 [0,2,0,0,0,0|1,0,0]=3 12005 B14R1.417 CC(C)CN(C)C(=O)c1ccccc1 240690a_100000747067_100000185807 [0,2,0,0,0,0|1,0,0]=3 12006 B14R1.417 CC(C)CN(C)C(=O)c1ccccc1 527a_100000747067_100000185807 [0,2,0,0,0,0|1,0,0]=3 12007 B14R1.417 CC(C)NC(C)C(=O)c1ccccc1 2230a_100138425928_100000239700 [0,2,0,0,0,0|2,0,0]=4 12008 B14R1.417 CC(C)SC(C)C(=O)c1ccccc1 62a_100000210206_100000239700 [0,2,0,0,0,0|2,0,0]=4 12009 B14R1.417 CC(C)SC(C)C(=O)c1ccccc1 62a_100000239700_100000210206 [0,2,0,0,0,0|2,0,0]=4 12010 B14R1.417 CC(O)CN(C)C(=O)c1ccccc1 240690a_100000227577_100000185807 [0,2,0,0,0,0|1,0,0]=3 12011 B14R1.417 CC(O)CN(C)C(=O)c1ccccc1 527a_100000227577_100000185807 [0,2,0,0,0,0|1,0,0]=3 12012 B14R1.417 CN(CC(=O)[13CH3])C(=O)c1ccccc1 1458a_100000194983_200025704644 [0,2,0,0,0,0|1,0,1]=4 12013 B14R1.813 CC(C)CNS(=O)(=O)c1ccccc1 270084a_100000210953_100000210345 [0,2,0,0,0,0|2,0,0]=4 12014 B14R1.813 CC(C)CNS(=O)(=O)c1ccccc1 274078a_100000210953_100000210345 [0,2,0,0,0,0|2,0,0]=4 12015 B14R1.813 CC(C)CNS(=O)(=O)c1ccccc1 40a_100000210953_100000032697 [0,2,0,0,0,0|2,0,0]=4 12016 B14R1.813 CC(C)COC(C)(C)c1ccccc1 7a_100000694644_100000210760 [0,2,0,0,0,0|1,0,1]=4 12017 B14R1.813 CC(O)CNS(=O)(=O)c1ccccc1 270084a_100000210904_100000210345 [0,2,0,0,0,0|2,0,0]=4 12018 B14R1.813 CC(O)CNS(=O)(=O)c1ccccc1 274078a_100000210904_100000210345 [0,2,0,0,0,0|2,0,0]=4 12019 B14R1.813 CC(O)CNS(=O)(=O)c1ccccc1 40a_100000210904_100000032697 [0,2,0,0,0,0|2,0,0]=4 12020 B14R1.813 CC(O)COC(C)(C)c1ccccc1 7a_100000694644_100011218427 [0,2,0,0,0,0|1,0,1]=4 12021 B14R1.813 C[C@@H](O)COC(C)(C)c1ccccc1 7a_100000694644_100009817552 [0,2,0,0,0,0|1,0,1]=4 12022 B14R1.3098 CC(C)(C)CCC(=O)c1ccccc1 1458a_100000185807_100000755188 [0,2,0,0,0,0|1,0,0]=3 12023 B14R1.3098 CC(C)(C)CNC(=O)c1ccccc1 11a_100000743828_100000185807 [0,2,0,0,0,0|1,0,0]=3 12024 B14R1.3098 CC(C)(C)CNC(=O)c1ccccc1 1626a_100000743828_100000185807 [0,2,0,0,0,0|1,0,0]=3 12025 B14R1.3098 CC(C)(C)CNC(=O)c1ccccc1 240690a_100000743828_100000185807 [0,2,0,0,0,0|1,0,0]=3 12026 B14R1.3098 CC(C)(C)CNC(=O)c1ccccc1 527a_100000743828_100000185807 [0,2,0,0,0,0|1,0,0]=3 12027 B14R1.3098 CC(C)(C)NNC(=O)c1ccccc1 22a_100000725372_100000185807 [0,2,0,0,0,0|2,0,0]=4 12028 B14R1.3098 CC(C)(C)OCC(=O)c1ccccc1 7a_100015890283_100000211460 [0,2,0,0,0,0|2,0,0]=4 12029 B14R1.3098 CC(C)(C)SCC(=O)c1ccccc1 62a_100000211460_100000211941 [0,2,0,0,0,0|2,0,0]=4 12030 B14R1.3098 CC(C)(C)SCC(=O)c1ccccc1 62a_100000211941_100000211460 [0,2,0,0,0,0|2,0,0]=4 12031 B14R1.3098 CC(C)(F)CNC(=O)c1ccccc1 11a_100020643315_100000185807 [0,2,0,0,0,0|1,0,0]=3 12032 B14R1.3098 CC(C)(F)CNC(=O)c1ccccc1 1626a_100020643315_100000185807 [0,2,0,0,0,0|1,0,0]=3 12033 B14R1.3098 CC(C)(F)CNC(=O)c1ccccc1 240690a_100020643315_100000185807 [0,2,0,0,0,0|1,0,0]=3 12034 B14R1.3098 CC(C)(F)CNC(=O)c1ccccc1 527a_100020643315_100000185807 [0,2,0,0,0,0|1,0,0]=3 12035 B14R1.3098 CC(C)(O)CNC(=O)c1ccccc1 1626a_100000751335_100000185807 [0,2,0,0,0,0|1,0,0]=3 12036 B14R1.3098 CC(C)(O)CNC(=O)c1ccccc1 240690a_100000751335_100000185807 [0,2,0,0,0,0|1,0,0]=3 12037 B14R1.3098 CC(C)(O)CNC(=O)c1ccccc1 527a_100000751335_100000185807 [0,2,0,0,0,0|1,0,0]=3 12038 B14R1.3098 CC(F)(F)CNC(=O)c1ccccc1 11a_100000731000_100000185807 [0,2,0,0,0,0|1,0,0]=3 12039 B14R1.3098 CC(F)(F)CNC(=O)c1ccccc1 1626a_100000731000_100000185807 [0,2,0,0,0,0|1,0,0]=3 12040 B14R1.3098 CC(F)(F)CNC(=O)c1ccccc1 240690a_100000731000_100000185807 [0,2,0,0,0,0|1,0,0]=3 12041 B14R1.3098 CC(F)(F)CNC(=O)c1ccccc1 527a_100000731000_100000185807 [0,2,0,0,0,0|1,0,0]=3 12042 B14R1.3098 CC(OCC(C)(C)F)c1ccccc1 34a_100000716592_100000211855 [0,2,0,0,0,0|1,0,1]=4 12043 B14R1.3098 CC(OCC(C)(F)F)c1ccccc1 34a_100000068830_100000211855 [0,2,0,0,0,0|1,0,1]=4 12044 B14R1.3098 CS(=O)(=O)CCC(=O)c1ccccc1 1458a_100000185807_100000731031 [0,2,0,0,0,0|2,0,0]=4 12045 B14R1.3098 C[C@@H](OCC(C)(C)C)c1ccccc1 34a_100000761318_100011219605 [0,2,0,0,0,0|1,0,1]=4 12046 B14R1.3098 C[C@@H](OCC(C)(C)F)c1ccccc1 34a_100000761318_100011997219 [0,2,0,0,0,0|1,0,1]=4 12047 B14R1.3098 C[C@@H](OCC(C)(C)O)c1ccccc1 34a_100000761318_100000764493 [0,2,0,0,0,0|1,0,1]=4 12048 B14R1.3098 C[C@@H](OCC(C)(C)O)c1ccccc1 7a_100000761318_100000764493 [0,2,0,0,0,0|1,0,1]=4 12049 B14R1.3098 C[N+](C)(C)CCC(=O)c1ccccc1 1458a_100000185807_100000085578 [0,2,0,0,0,0|2,0,0]=4 12050 B14R1.3098 C[Si](C)(C)CCC(=O)c1ccccc1 1458a_100000185807_200000733723 [0,2,0,0,0,0|1,1,0]=4 12051 B14R1.3098 C[Si](C)(C)CNC(=O)c1ccccc1 11a_102516607284_100000185807 [0,2,0,0,0,0|1,1,0]=4 12052 B14R1.3098 C[Si](C)(C)CNC(=O)c1ccccc1 1626a_102516607284_100000185807 [0,2,0,0,0,0|1,1,0]=4 12053 B14R1.3098 C[Si](C)(C)CNC(=O)c1ccccc1 240690a_102516607284_100000185807 [0,2,0,0,0,0|1,1,0]=4 12054 B14R1.3098 C[Si](C)(C)CNC(=O)c1ccccc1 527a_102516607284_100000185807 [0,2,0,0,0,0|1,1,0]=4 12055 B14R1.3098 O=C(CCC(F)(F)F)c1ccccc1 1458a_100000185807_100011219754 [0,2,0,0,0,0|2,0,0]=4 12056 B14R1.3098 O=C(NCC(F)(F)F)c1ccccc1 11a_100000717047_100000185807 [0,2,0,0,0,0|2,0,0]=4 12057 B14R1.3098 O=C(NCC(F)(F)F)c1ccccc1 1626a_100000717047_100000185807 [0,2,0,0,0,0|2,0,0]=4 12058 B14R1.3098 O=C(NCC(F)(F)F)c1ccccc1 240690a_100000717047_100000185807 [0,2,0,0,0,0|2,0,0]=4 12059 B14R1.3098 O=C(NCC(F)(F)F)c1ccccc1 527a_100000717047_100000185807 [0,2,0,0,0,0|2,0,0]=4 12060 B14R1.478 CCCC(CC)C(=O)c1ccccc1 1458a_100000185807_100011219200 [0,2,0,0,0,0|1,0,0]=3 12061 B14R1.478 CCCN(CC)C(=O)c1ccccc1 11a_100000226822_100000185807 [0,2,0,0,0,0|1,0,0]=3 12062 B14R1.478 CCCN(CC)C(=O)c1ccccc1 1626a_100000226822_100000185807 [0,2,0,0,0,0|1,0,0]=3 12063 B14R1.478 CCCN(CC)C(=O)c1ccccc1 240690a_100000226822_100000185807 [0,2,0,0,0,0|1,0,0]=3 12064 B14R1.478 CCCN(CC)C(=O)c1ccccc1 527a_100000226822_100000185807 [0,2,0,0,0,0|1,0,0]=3 12065 B14R1.478 CCN(CCO)C(=O)c1ccccc1 240690a_100000210973_100000185807 [0,2,0,0,0,0|2,0,0]=4 12066 B14R1.478 CCN(CCO)C(=O)c1ccccc1 527a_100000210973_100000185807 [0,2,0,0,0,0|2,0,0]=4 12067 B14R1.510 CCCN(C)S(=O)(=O)c1ccccc1 270084a_100000747261_100000210345 [0,2,0,0,0,0|2,0,0]=4 12068 B14R1.510 CCCN(C)S(=O)(=O)c1ccccc1 274078a_100000747261_100000210345 [0,2,0,0,0,0|2,0,0]=4 12069 B14R1.510 CCCN(C)S(=O)(=O)c1ccccc1 40a_100000747261_100000032697 [0,2,0,0,0,0|2,0,0]=4 12070 B14R1.3348 CC(CCO)C(=O)c1ccccc1Br 1458a_100000188424_100009893172 [0,2,0,0,0,0|2,0,0]=4 12071 B14R1.3348 CC(CCO)C(=O)c1ccccc1Cl 1458a_100000185844_100009893172 [0,2,0,0,0,0|2,0,0]=4 12072 B14R1.3348 CC(CCO)C(=O)c1ccccc1F 1458a_100000188656_100009893172 [0,2,0,0,0,0|2,0,0]=4 12073 B14R1.3348 CC(CCO)C(=O)c1ccccc1I 1458a_100000187884_100009893172 [0,2,0,0,0,0|2,0,0]=4 12074 B14R1.3348 CC(CCO)C(=O)c1ccccc1O 1458a_100015234032_100009893172 [0,2,0,0,0,0|2,0,0]=4 12075 B14R1.3348 CC(CCO)C(=O)c1ccccc1[O-] 1458a_100009911694_100009893172 [0,2,0,0,0,0|2,0,0]=4 12076 B14R1.3348 CCCC(C)C(=O)c1ccccc1Br 1458a_100000188424_100000766640 [0,2,0,0,0,0|1,0,0]=3 12077 B14R1.3348 CCCC(C)C(=O)c1ccccc1C 1458a_100000212026_100000766640 [0,2,0,0,0,0|1,0,0]=3 12078 B14R1.3348 CCCC(C)C(=O)c1ccccc1Cl 1458a_100000185844_100000766640 [0,2,0,0,0,0|1,0,0]=3 12079 B14R1.3348 CCCC(C)C(=O)c1ccccc1F 1458a_100000188656_100000766640 [0,2,0,0,0,0|1,0,0]=3 12080 B14R1.3348 CCCC(C)C(=O)c1ccccc1I 1458a_100000187884_100000766640 [0,2,0,0,0,0|1,0,0]=3 12081 B14R1.3348 CCCC(C)C(=O)c1ccccc1O 1458a_100015234032_100000766640 [0,2,0,0,0,0|1,0,0]=3 12082 B14R1.3348 CCCC(C)C(=O)c1ccccc1[O-] 1458a_100009911694_100000766640 [0,2,0,0,0,0|1,0,0]=3 12083 B14R1.3348 CCCN(C)C(=O)c1ccccc1Br 11a_100000747261_100000188424 [0,2,0,0,0,0|1,0,0]=3 12084 B14R1.3348 CCCN(C)C(=O)c1ccccc1Br 1626a_100000747261_100000188424 [0,2,0,0,0,0|1,0,0]=3 12085 B14R1.3348 CCCN(C)C(=O)c1ccccc1Br 240690a_100000747261_100000188424 [0,2,0,0,0,0|1,0,0]=3 12086 B14R1.3348 CCCN(C)C(=O)c1ccccc1Br 527a_100000747261_100000188424 [0,2,0,0,0,0|1,0,0]=3 12087 B14R1.3348 CCCN(C)C(=O)c1ccccc1C 11a_100000747261_100000212026 [0,2,0,0,0,0|1,0,0]=3 12088 B14R1.3348 CCCN(C)C(=O)c1ccccc1C 1626a_100000747261_100000212026 [0,2,0,0,0,0|1,0,0]=3 12089 B14R1.3348 CCCN(C)C(=O)c1ccccc1C 240690a_100000747261_100000212026 [0,2,0,0,0,0|1,0,0]=3 12090 B14R1.3348 CCCN(C)C(=O)c1ccccc1C 527a_100000747261_100000212026 [0,2,0,0,0,0|1,0,0]=3 12091 B14R1.3348 CCCN(C)C(=O)c1ccccc1Cl 11a_100000747261_100000185844 [0,2,0,0,0,0|1,0,0]=3 12092 B14R1.3348 CCCN(C)C(=O)c1ccccc1Cl 1626a_100000747261_100000185844 [0,2,0,0,0,0|1,0,0]=3 12093 B14R1.3348 CCCN(C)C(=O)c1ccccc1Cl 240690a_100000747261_100000185844 [0,2,0,0,0,0|1,0,0]=3 12094 B14R1.3348 CCCN(C)C(=O)c1ccccc1Cl 527a_100000747261_100000185844 [0,2,0,0,0,0|1,0,0]=3 12095 B14R1.3348 CCCN(C)C(=O)c1ccccc1F 11a_100000747261_100000188656 [0,2,0,0,0,0|1,0,0]=3 12096 B14R1.3348 CCCN(C)C(=O)c1ccccc1F 1626a_100000747261_100000188656 [0,2,0,0,0,0|1,0,0]=3 12097 B14R1.3348 CCCN(C)C(=O)c1ccccc1F 240690a_100000747261_100000188656 [0,2,0,0,0,0|1,0,0]=3 12098 B14R1.3348 CCCN(C)C(=O)c1ccccc1F 527a_100000747261_100000188656 [0,2,0,0,0,0|1,0,0]=3 12099 B14R1.3348 CCCN(C)C(=O)c1ccccc1I 11a_100000747261_100000187884 [0,2,0,0,0,0|1,0,0]=3 12100 B14R1.3348 CCCN(C)C(=O)c1ccccc1I 1626a_100000747261_100000187884 [0,2,0,0,0,0|1,0,0]=3 12101 B14R1.3348 CCCN(C)C(=O)c1ccccc1I 240690a_100000747261_100000187884 [0,2,0,0,0,0|1,0,0]=3 12102 B14R1.3348 CCCN(C)C(=O)c1ccccc1I 527a_100000747261_100000187884 [0,2,0,0,0,0|1,0,0]=3 12103 B14R1.3348 CCCN(C)C(=O)c1ccccc1O 240690a_100000747261_100015234032 [0,2,0,0,0,0|1,0,0]=3 12104 B14R1.3348 CCCN(C)C(=O)c1ccccc1[O-] 1626a_100000747261_100009911694 [0,2,0,0,0,0|1,0,0]=3 12105 B14R1.3348 CCCN(C)C(=O)c1ccccc1[O-] 240690a_100000747261_100009911694 [0,2,0,0,0,0|1,0,0]=3 12106 B14R1.3348 CCCN(C)C(=O)c1ccccc1[O-] 527a_100000747261_100009911694 [0,2,0,0,0,0|1,0,0]=3 12107 B14R1.3348 CCNC(C)C(=O)c1ccccc1Cl 2230a_100015525214_100010255250 [0,2,0,0,0,0|2,0,0]=4 12108 B14R1.3348 CCSC(C)C(=O)c1ccccc1Cl 62a_100000210202_100010255250 [0,2,0,0,0,0|2,0,0]=4 12109 B14R1.3348 CCSC(C)C(=O)c1ccccc1Cl 62a_100010255250_100000210202 [0,2,0,0,0,0|2,0,0]=4 12110 B14R1.3348 CN(CCO)C(=O)c1ccccc1Br 240690a_100000210263_100000188424 [0,2,0,0,0,0|2,0,0]=4 12111 B14R1.3348 CN(CCO)C(=O)c1ccccc1Br 527a_100000210263_100000188424 [0,2,0,0,0,0|2,0,0]=4 12112 B14R1.3348 CN(CCO)C(=O)c1ccccc1Cl 240690a_100000210263_100000185844 [0,2,0,0,0,0|2,0,0]=4 12113 B14R1.3348 CN(CCO)C(=O)c1ccccc1Cl 527a_100000210263_100000185844 [0,2,0,0,0,0|2,0,0]=4 12114 B14R1.3348 CN(CCO)C(=O)c1ccccc1F 240690a_100000210263_100000188656 [0,2,0,0,0,0|2,0,0]=4 12115 B14R1.3348 CN(CCO)C(=O)c1ccccc1F 527a_100000210263_100000188656 [0,2,0,0,0,0|2,0,0]=4 12116 B14R1.3348 CN(CCO)C(=O)c1ccccc1I 240690a_100000210263_100000187884 [0,2,0,0,0,0|2,0,0]=4 12117 B14R1.3348 CN(CCO)C(=O)c1ccccc1I 527a_100000210263_100000187884 [0,2,0,0,0,0|2,0,0]=4 12118 B14R1.3348 CN(CCO)C(=O)c1ccccc1O 240690a_100000210263_100015234032 [0,2,0,0,0,0|2,0,0]=4 12119 B14R1.3348 CN(CCO)C(=O)c1ccccc1[O-] 240690a_100000210263_100009911694 [0,2,0,0,0,0|2,0,0]=4 12120 B14R1.3348 CN(CCO)C(=O)c1ccccc1[O-] 527a_100000210263_100009911694 [0,2,0,0,0,0|2,0,0]=4 12121 B14R1.3348 COCC(C)C(=O)c1ccccc1Br 1458a_100000188424_100000765312 [0,2,0,0,0,0|2,0,0]=4 12122 B14R1.3348 COCC(C)C(=O)c1ccccc1C 1458a_100000212026_100000765312 [0,2,0,0,0,0|2,0,0]=4 12123 B14R1.3348 COCC(C)C(=O)c1ccccc1Cl 1458a_100000185844_100000765312 [0,2,0,0,0,0|2,0,0]=4 12124 B14R1.3348 COCC(C)C(=O)c1ccccc1F 1458a_100000188656_100000765312 [0,2,0,0,0,0|2,0,0]=4 12125 B14R1.3348 COCC(C)C(=O)c1ccccc1I 1458a_100000187884_100000765312 [0,2,0,0,0,0|2,0,0]=4 12126 B14R1.3348 COCC(C)C(=O)c1ccccc1O 1458a_100015234032_100000765312 [0,2,0,0,0,0|2,0,0]=4 12127 B14R1.3348 COCC(C)C(=O)c1ccccc1[O-] 1458a_100009911694_100000765312 [0,2,0,0,0,0|2,0,0]=4 12128 B14R1.3348 Cc1ccccc1C(=O)C(C)CCO 1458a_100000212026_100009893172 [0,2,0,0,0,0|2,0,0]=4 12129 B14R1.3348 Cc1ccccc1C(=O)N(C)CCO 240690a_100000210263_100000212026 [0,2,0,0,0,0|2,0,0]=4 12130 B14R1.3348 Cc1ccccc1C(=O)N(C)CCO 527a_100000210263_100000212026 [0,2,0,0,0,0|2,0,0]=4 12131 B14R1.6708 CCNC(C)(C)C(=O)c1ccccc1 2230a_100015525214_200009813919 [0,2,0,0,0,0|2,0,0]=4 12132 B14R1.6708 CCOC(C)(C)C(=O)c1ccccc1 34a_100011217161_100000210202 [0,2,0,0,0,0|2,0,0]=4 12133 B14R1.6708 CCOC(C)(C)C(=O)c1ccccc1 7a_100011217161_100000210202 [0,2,0,0,0,0|2,0,0]=4 12134 B14R1.6708 CCSC(C)(C)C(=O)c1ccccc1 62a_100000210202_200009813919 [0,2,0,0,0,0|2,0,0]=4 12135 B14R1.6708 CCSC(C)(C)C(=O)c1ccccc1 62a_200009813919_100000210202 [0,2,0,0,0,0|2,0,0]=4 12136 B14R1.6708 CCSC(F)(F)C(=O)c1ccccc1 62a_100000210202_100011214938 [0,2,0,0,0,0|2,0,0]=4 12137 B14R1.6708 CCSC(F)(F)C(=O)c1ccccc1 62a_100011214938_100000210202 [0,2,0,0,0,0|2,0,0]=4 12138 B14R1.4230 CCCNS(=O)(=O)c1ccccc1Br 270084a_100020643023_100000184729 [0,2,0,0,0,0|2,0,0]=4 12139 B14R1.4230 CCCNS(=O)(=O)c1ccccc1Br 274078a_100020643023_100000184729 [0,2,0,0,0,0|2,0,0]=4 12140 B14R1.4230 CCCNS(=O)(=O)c1ccccc1Br 40a_100020643023_100010380725 [0,2,0,0,0,0|2,0,0]=4 12141 B14R1.4230 CCCNS(=O)(=O)c1ccccc1C 270084a_100020643023_100000750907 [0,2,0,0,0,0|2,0,0]=4 12142 B14R1.4230 CCCNS(=O)(=O)c1ccccc1C 274078a_100020643023_100000750907 [0,2,0,0,0,0|2,0,0]=4 12143 B14R1.4230 CCCNS(=O)(=O)c1ccccc1C 40a_100020643023_100010269479 [0,2,0,0,0,0|2,0,0]=4 12144 B14R1.4230 CCCNS(=O)(=O)c1ccccc1Cl 270084a_100020643023_100000184199 [0,2,0,0,0,0|2,0,0]=4 12145 B14R1.4230 CCCNS(=O)(=O)c1ccccc1Cl 274078a_100020643023_100000184199 [0,2,0,0,0,0|2,0,0]=4 12146 B14R1.4230 CCCNS(=O)(=O)c1ccccc1F 270084a_100020643023_100000184916 [0,2,0,0,0,0|2,0,0]=4 12147 B14R1.4230 CCCNS(=O)(=O)c1ccccc1F 274078a_100020643023_100000184916 [0,2,0,0,0,0|2,0,0]=4 12148 B14R1.4230 CCCNS(=O)(=O)c1ccccc1I 270084a_100020643023_100011191325 [0,2,0,0,0,0|2,0,0]=4 12149 B14R1.4230 CCCNS(=O)(=O)c1ccccc1I 274078a_100020643023_100011191325 [0,2,0,0,0,0|2,0,0]=4 12150 B14R1.4230 CCCNS(=O)(=O)c1ccccc1N 40a_100020643023_100000703237 [0,2,0,0,0,0|2,0,0]=4 12151 B14R1.4230 CCCNS(=O)(=O)c1ccccc1O 271570a_203496583355_200000165487 [0,2,0,0,0,0|2,0,0]=4 12152 B14R1.4230 CCCOC(C)(C)c1ccccc1Br 34a_100011346021_100000210303 [0,2,0,0,0,0|1,0,1]=4 12153 B14R1.4230 CCCOC(C)(C)c1ccccc1Br 7a_100011346021_100000210303 [0,2,0,0,0,0|1,0,1]=4 12154 B14R1.4230 CCCOC(C)(C)c1ccccc1Cl 34a_100000690508_100000210303 [0,2,0,0,0,0|1,0,1]=4 12155 B14R1.4230 CCCOC(C)(C)c1ccccc1Cl 7a_100000690508_100000210303 [0,2,0,0,0,0|1,0,1]=4 12156 B14R1.4230 CCCOC(C)(C)c1ccccc1F 34a_100011345963_100000210303 [0,2,0,0,0,0|1,0,1]=4 12157 B14R1.4230 CCCOC(C)(C)c1ccccc1F 7a_100011345963_100000210303 [0,2,0,0,0,0|1,0,1]=4 12158 B14R1.4230 CCCOC(C)(C)c1ccccc1I 34a_100010296449_100000210303 [0,2,0,0,0,0|1,0,1]=4 12159 B14R1.4230 CCCOC(C)(C)c1ccccc1I 7a_100010296449_100000210303 [0,2,0,0,0,0|1,0,1]=4 12160 B14R1.4230 CCCOC(C)(C)c1ccccc1N 7a_100000081495_100000210303 [0,2,0,0,0,0|1,0,1]=4 12161 B14R1.4230 CCCOC(F)(F)c1ccccc1F 34a_100000210258_100000070671 [0,2,0,0,0,0|1,0,1]=4 12162 B14R1.939 C#Cc1ccccc1C(=O)CCCC 1458a_100011243808_100000210211 [0,2,0,0,0,0|1,0,0]=3 12163 B14R1.939 C#Cc1ccccc1C(=O)CCCF 1458a_100011243808_100011934791 [0,2,0,0,0,0|2,0,0]=4 12164 B14R1.939 C#Cc1ccccc1C(=O)CCCO 1458a_100011243808_100011215043 [0,2,0,0,0,0|2,0,0]=4 12165 B14R1.939 C#Cc1ccccc1C(=O)CCOC 1458a_100011243808_100000233755 [0,2,0,0,0,0|2,0,0]=4 12166 B14R1.939 C#Cc1ccccc1C(=O)CCSC 1458a_100011243808_100000751147 [0,2,0,0,0,0|2,0,0]=4 12167 B14R1.939 C#Cc1ccccc1C(=O)NCCC 527a_100020643023_100011243808 [0,2,0,0,0,0|1,0,0]=3 12168 B14R1.939 C#Cc1ccccc1C(=O)NCCF 527a_100000724931_100011243808 [0,2,0,0,0,0|2,0,0]=4 12169 B14R1.939 C#Cc1ccccc1C(=O)NCCO 527a_100000210304_100011243808 [0,2,0,0,0,0|2,0,0]=4 12170 B14R1.939 C#Cc1ccccc1C(=O)NNCC 22a_100000756455_100011243808 [0,2,0,0,0,0|2,0,0]=4 12171 B14R1.939 C=Cc1ccccc1C(=O)CCCC 1458a_100011830265_100000210211 [0,2,0,0,0,0|1,0,0]=3 12172 B14R1.939 C=Cc1ccccc1C(=O)CCCF 1458a_100011830265_100011934791 [0,2,0,0,0,0|2,0,0]=4 12173 B14R1.939 C=Cc1ccccc1C(=O)CCCO 1458a_100011830265_100011215043 [0,2,0,0,0,0|2,0,0]=4 12174 B14R1.939 C=Cc1ccccc1C(=O)CCOC 1458a_100011830265_100000233755 [0,2,0,0,0,0|2,0,0]=4 12175 B14R1.939 C=Cc1ccccc1C(=O)CCSC 1458a_100011830265_100000751147 [0,2,0,0,0,0|2,0,0]=4 12176 B14R1.939 C=Cc1ccccc1C(=O)NCCC 1626a_100020643023_100011830265 [0,2,0,0,0,0|1,0,0]=3 12177 B14R1.939 C=Cc1ccccc1C(=O)NCCC 271570a_100011290941_200000152266 [0,2,0,0,0,0|1,0,0]=3 12178 B14R1.939 C=Cc1ccccc1C(=O)NCCF 1626a_100000724931_100011830265 [0,2,0,0,0,0|2,0,0]=4 12179 B14R1.939 C=Cc1ccccc1C(=O)NCCO 271570a_100011290941_200000158863 [0,2,0,0,0,0|2,0,0]=4 12180 B14R1.939 C=Cc1ccccc1C(=O)NNCC 22a_100000756455_100011830265 [0,2,0,0,0,0|2,0,0]=4 12181 B14R1.939 C=Cc1ncccc1C(=O)NCCC 271570a_100011290941_100000161721 [0,2,0,0,0,0|2,0,0]=4 12182 B14R1.939 CCCCC(=O)c1ccccc1C#N 1458a_100000742908_100000210211 [0,2,0,0,0,0|1,0,0]=3 12183 B14R1.939 CCCCC(=O)c1ccccc1CC 1458a_100000689120_100000210211 [0,2,0,0,0,0|1,0,0]=3 12184 B14R1.939 CCCCC(=O)c1ccccc1CO 1458a_100011301526_100000210211 [0,2,0,0,0,0|1,0,0]=3 12185 B14R1.939 CCCCC(=O)c1ccccc1I=O 1458a_100000032414_100000210211 [0,2,0,0,0,0|1,0,0]=3 12186 B14R1.939 CCCCC(=O)c1ccccc1OC 1458a_100000185835_100000210211 [0,2,0,0,0,0|1,0,0]=3 12187 B14R1.939 CCCCC(=O)c1ccccc1SC 1458a_100000183967_100000210211 [0,2,0,0,0,0|1,0,0]=3 12188 B14R1.939 CCCNC(=O)c1ccccc1C#N 11a_100020643023_100000742908 [0,2,0,0,0,0|1,0,0]=3 12189 B14R1.939 CCCNC(=O)c1ccccc1C#N 1626a_100020643023_100000742908 [0,2,0,0,0,0|1,0,0]=3 12190 B14R1.939 CCCNC(=O)c1ccccc1C#N 527a_100020643023_100000742908 [0,2,0,0,0,0|1,0,0]=3 12191 B14R1.939 CCCNC(=O)c1ccccc1CC 11a_100020643023_100000689120 [0,2,0,0,0,0|1,0,0]=3 12192 B14R1.939 CCCNC(=O)c1ccccc1CC 1626a_100020643023_100000689120 [0,2,0,0,0,0|1,0,0]=3 12193 B14R1.939 CCCNC(=O)c1ccccc1CC 240690a_100020643023_100000689120 [0,2,0,0,0,0|1,0,0]=3 12194 B14R1.939 CCCNC(=O)c1ccccc1CC 527a_100020643023_100000689120 [0,2,0,0,0,0|1,0,0]=3 12195 B14R1.939 CCCNC(=O)c1ccccc1I=O 1626a_100020643023_100000032414 [0,2,0,0,0,0|1,0,0]=3 12196 B14R1.939 CCCNC(=O)c1ccccc1I=O 240690a_100020643023_100000032414 [0,2,0,0,0,0|1,0,0]=3 12197 B14R1.939 CCCNC(=O)c1ccccc1I=O 527a_100020643023_100000032414 [0,2,0,0,0,0|1,0,0]=3 12198 B14R1.939 CCCNC(=O)c1ccccc1NC 27a_100102657272_200000152266 [0,2,0,0,0,0|1,0,0]=3 12199 B14R1.939 CCCNC(=O)c1ccccc1NC 34a_100000181257_200000210301 [0,2,0,0,0,0|1,0,0]=3 12200 B14R1.939 CCCNC(=O)c1ccccc1N[13CH3] 34a_100000181257_200025704644 [0,2,0,0,0,0|1,0,0]=3 12201 B14R1.939 CCCNC(=O)c1ccccc1OC 11a_100020643023_100000185835 [0,2,0,0,0,0|1,0,0]=3 12202 B14R1.939 CCCNC(=O)c1ccccc1OC 1626a_100020643023_100000185835 [0,2,0,0,0,0|1,0,0]=3 12203 B14R1.939 CCCNC(=O)c1ccccc1OC 240690a_100020643023_100000185835 [0,2,0,0,0,0|1,0,0]=3 12204 B14R1.939 CCCNC(=O)c1ccccc1OC 527a_100020643023_100000185835 [0,2,0,0,0,0|1,0,0]=3 12205 B14R1.939 CCCNC(=O)c1ccccc1SC 11a_100020643023_100000183967 [0,2,0,0,0,0|1,0,0]=3 12206 B14R1.939 CCCNC(=O)c1ccccc1SC 1626a_100020643023_100000183967 [0,2,0,0,0,0|1,0,0]=3 12207 B14R1.939 CCCNC(=O)c1ccccc1SC 240690a_100020643023_100000183967 [0,2,0,0,0,0|1,0,0]=3 12208 B14R1.939 CCCNC(=O)c1ccccc1SC 527a_100020643023_100000183967 [0,2,0,0,0,0|1,0,0]=3 12209 B14R1.939 CCCNC(=O)c1ccccc1SC 62a_200000152266_200000210301 [0,2,0,0,0,0|1,0,0]=3 12210 B14R1.939 CCCNC(=O)c1ccccc1SC 62a_200000210301_200000152266 [0,2,0,0,0,0|1,0,0]=3 12211 B14R1.939 CCCNC(=O)c1ccccc1S[13CH3] 62a_200000152266_200025704644 [0,2,0,0,0,0|1,0,0]=3 12212 B14R1.939 CCCNC(=O)c1ccccc1S[13CH3] 62a_200025704644_200000152266 [0,2,0,0,0,0|1,0,0]=3 12213 B14R1.939 CCCNC(=O)c1cccnc1NC 27a_100102657272_100000161721 [0,2,0,0,0,0|2,0,0]=4 12214 B14R1.939 CCCNC(=O)c1cccnc1SC 62a_100000161721_200000210301 [0,2,0,0,0,0|2,0,0]=4 12215 B14R1.939 CCCNC(=O)c1cccnc1SC 62a_200000210301_100000161721 [0,2,0,0,0,0|2,0,0]=4 12216 B14R1.939 CCCNC(=O)c1cccnc1S[13CH3] 62a_100000161721_200025704644 [0,2,0,0,0,0|2,0,0]=4 12217 B14R1.939 CCCNC(=O)c1cccnc1S[13CH3] 62a_200025704644_100000161721 [0,2,0,0,0,0|2,0,0]=4 12218 B14R1.939 CCCOC(=O)c1ccccc1OC 7a_100000169924_200000210301 [0,2,0,0,0,0|0,0,0]=2 12219 B14R1.939 CCCOC(=O)c1ccccc1O[13CH3] 7a_100000169924_200025704644 [0,2,0,0,0,0|0,0,0]=2 12220 B14R1.939 CCCOC(C)c1ccccc1OC 7a_100000742714_100000210303 [0,2,0,0,0,0|1,0,1]=4 12221 B14R1.939 CCNNC(=O)c1ccccc1C#N 22a_100000756455_100000742908 [0,2,0,0,0,0|2,0,0]=4 12222 B14R1.939 CCNNC(=O)c1ccccc1CC 22a_100000756455_100000689120 [0,2,0,0,0,0|2,0,0]=4 12223 B14R1.939 CCNNC(=O)c1ccccc1I=O 22a_100000756455_100000032414 [0,2,0,0,0,0|2,0,0]=4 12224 B14R1.939 CCNNC(=O)c1ccccc1OC 22a_100000756455_100000185835 [0,2,0,0,0,0|2,0,0]=4 12225 B14R1.939 CCNNC(=O)c1ccccc1SC 22a_100000756455_100000183967 [0,2,0,0,0,0|2,0,0]=4 12226 B14R1.939 CCOCC(=O)c1ccccc1OC 34a_100121572206_100000195505 [0,2,0,0,0,0|2,0,0]=4 12227 B14R1.939 CCSCC(=O)c1ccccc1OC 62a_100000195505_100000210202 [0,2,0,0,0,0|2,0,0]=4 12228 B14R1.939 CCc1ccccc1C(=O)CCCF 1458a_100000689120_100011934791 [0,2,0,0,0,0|2,0,0]=4 12229 B14R1.939 CCc1ccccc1C(=O)CCCO 1458a_100000689120_100011215043 [0,2,0,0,0,0|2,0,0]=4 12230 B14R1.939 CCc1ccccc1C(=O)CCOC 1458a_100000689120_100000233755 [0,2,0,0,0,0|2,0,0]=4 12231 B14R1.939 CCc1ccccc1C(=O)CCSC 1458a_100000689120_100000751147 [0,2,0,0,0,0|2,0,0]=4 12232 B14R1.939 CCc1ccccc1C(=O)NCCF 11a_100000724931_100000689120 [0,2,0,0,0,0|2,0,0]=4 12233 B14R1.939 CCc1ccccc1C(=O)NCCF 1626a_100000724931_100000689120 [0,2,0,0,0,0|2,0,0]=4 12234 B14R1.939 CCc1ccccc1C(=O)NCCF 240690a_100000724931_100000689120 [0,2,0,0,0,0|2,0,0]=4 12235 B14R1.939 CCc1ccccc1C(=O)NCCF 527a_100000724931_100000689120 [0,2,0,0,0,0|2,0,0]=4 12236 B14R1.939 CCc1ccccc1C(=O)NCCO 240690a_100000210304_100000689120 [0,2,0,0,0,0|2,0,0]=4 12237 B14R1.939 CCc1ccccc1C(=O)NCCO 527a_100000210304_100000689120 [0,2,0,0,0,0|2,0,0]=4 12238 B14R1.939 CNc1ccccc1C(=O)NCCO 27a_100102657272_200000158863 [0,2,0,0,0,0|2,0,0]=4 12239 B14R1.939 COCCC(=O)c1ccccc1C#N 1458a_100000742908_100000233755 [0,2,0,0,0,0|2,0,0]=4 12240 B14R1.939 COCCC(=O)c1ccccc1CO 1458a_100011301526_100000233755 [0,2,0,0,0,0|2,0,0]=4 12241 B14R1.939 COCCC(=O)c1ccccc1I=O 1458a_100000032414_100000233755 [0,2,0,0,0,0|2,0,0]=4 12242 B14R1.939 COCCC(=O)c1ccccc1OC 1458a_100000185835_100000233755 [0,2,0,0,0,0|2,0,0]=4 12243 B14R1.939 COCCC(=O)c1ccccc1SC 1458a_100000183967_100000233755 [0,2,0,0,0,0|2,0,0]=4 12244 B14R1.939 COc1ccccc1C(=O)CCCF 1458a_100000185835_100011934791 [0,2,0,0,0,0|2,0,0]=4 12245 B14R1.939 COc1ccccc1C(=O)CCCO 1458a_100000185835_100011215043 [0,2,0,0,0,0|2,0,0]=4 12246 B14R1.939 COc1ccccc1C(=O)CCSC 1458a_100000185835_100000751147 [0,2,0,0,0,0|2,0,0]=4 12247 B14R1.939 COc1ccccc1C(=O)NCCF 11a_100000724931_100000185835 [0,2,0,0,0,0|2,0,0]=4 12248 B14R1.939 COc1ccccc1C(=O)NCCF 1626a_100000724931_100000185835 [0,2,0,0,0,0|2,0,0]=4 12249 B14R1.939 COc1ccccc1C(=O)NCCF 240690a_100000724931_100000185835 [0,2,0,0,0,0|2,0,0]=4 12250 B14R1.939 COc1ccccc1C(=O)NCCF 527a_100000724931_100000185835 [0,2,0,0,0,0|2,0,0]=4 12251 B14R1.939 COc1ccccc1C(=O)NCCO 240690a_100000210304_100000185835 [0,2,0,0,0,0|2,0,0]=4 12252 B14R1.939 COc1ccccc1C(=O)NCCO 527a_100000210304_100000185835 [0,2,0,0,0,0|2,0,0]=4 12253 B14R1.939 COc1ccccc1C(=O)OCCO 7a_100000229999_200000210301 [0,2,0,0,0,0|1,0,0]=3 12254 B14R1.939 CSCCC(=O)c1ccccc1C#N 1458a_100000742908_100000751147 [0,2,0,0,0,0|2,0,0]=4 12255 B14R1.939 CSCCC(=O)c1ccccc1CO 1458a_100011301526_100000751147 [0,2,0,0,0,0|2,0,0]=4 12256 B14R1.939 CSCCC(=O)c1ccccc1I=O 1458a_100000032414_100000751147 [0,2,0,0,0,0|2,0,0]=4 12257 B14R1.939 CSCCC(=O)c1ccccc1SC 1458a_100000183967_100000751147 [0,2,0,0,0,0|2,0,0]=4 12258 B14R1.939 CSc1ccccc1C(=O)CCCF 1458a_100000183967_100011934791 [0,2,0,0,0,0|2,0,0]=4 12259 B14R1.939 CSc1ccccc1C(=O)CCCO 1458a_100000183967_100011215043 [0,2,0,0,0,0|2,0,0]=4 12260 B14R1.939 CSc1ccccc1C(=O)NCCF 11a_100000724931_100000183967 [0,2,0,0,0,0|2,0,0]=4 12261 B14R1.939 CSc1ccccc1C(=O)NCCF 1626a_100000724931_100000183967 [0,2,0,0,0,0|2,0,0]=4 12262 B14R1.939 CSc1ccccc1C(=O)NCCF 240690a_100000724931_100000183967 [0,2,0,0,0,0|2,0,0]=4 12263 B14R1.939 CSc1ccccc1C(=O)NCCF 527a_100000724931_100000183967 [0,2,0,0,0,0|2,0,0]=4 12264 B14R1.939 CSc1ccccc1C(=O)NCCO 240690a_100000210304_100000183967 [0,2,0,0,0,0|2,0,0]=4 12265 B14R1.939 CSc1ccccc1C(=O)NCCO 527a_100000210304_100000183967 [0,2,0,0,0,0|2,0,0]=4 12266 B14R1.939 CSc1ccccc1C(=O)NCCO 62a_200000158863_200000210301 [0,2,0,0,0,0|2,0,0]=4 12267 B14R1.939 CSc1ccccc1C(=O)NCCO 62a_200000210301_200000158863 [0,2,0,0,0,0|2,0,0]=4 12268 B14R1.939 N#Cc1ccccc1C(=O)CCCF 1458a_100000742908_100011934791 [0,2,0,0,0,0|2,0,0]=4 12269 B14R1.939 N#Cc1ccccc1C(=O)CCCO 1458a_100000742908_100011215043 [0,2,0,0,0,0|2,0,0]=4 12270 B14R1.939 N#Cc1ccccc1C(=O)NCCF 11a_100000724931_100000742908 [0,2,0,0,0,0|2,0,0]=4 12271 B14R1.939 N#Cc1ccccc1C(=O)NCCF 1626a_100000724931_100000742908 [0,2,0,0,0,0|2,0,0]=4 12272 B14R1.939 N#Cc1ccccc1C(=O)NCCF 527a_100000724931_100000742908 [0,2,0,0,0,0|2,0,0]=4 12273 B14R1.939 N#Cc1ccccc1C(=O)NCCO 527a_100000210304_100000742908 [0,2,0,0,0,0|2,0,0]=4 12274 B14R1.939 O=C(CCCF)c1ccccc1CO 1458a_100011301526_100011934791 [0,2,0,0,0,0|2,0,0]=4 12275 B14R1.939 O=C(CCCO)c1ccccc1CO 1458a_100011301526_100011215043 [0,2,0,0,0,0|2,0,0]=4 12276 B14R1.939 O=Ic1ccccc1C(=O)CCCF 1458a_100000032414_100011934791 [0,2,0,0,0,0|2,0,0]=4 12277 B14R1.939 O=Ic1ccccc1C(=O)CCCO 1458a_100000032414_100011215043 [0,2,0,0,0,0|2,0,0]=4 12278 B14R1.939 O=Ic1ccccc1C(=O)NCCF 1626a_100000724931_100000032414 [0,2,0,0,0,0|2,0,0]=4 12279 B14R1.939 O=Ic1ccccc1C(=O)NCCF 240690a_100000724931_100000032414 [0,2,0,0,0,0|2,0,0]=4 12280 B14R1.939 O=Ic1ccccc1C(=O)NCCF 527a_100000724931_100000032414 [0,2,0,0,0,0|2,0,0]=4 12281 B14R1.939 O=Ic1ccccc1C(=O)NCCO 240690a_100000210304_100000032414 [0,2,0,0,0,0|2,0,0]=4 12282 B14R1.939 O=Ic1ccccc1C(=O)NCCO 527a_100000210304_100000032414 [0,2,0,0,0,0|2,0,0]=4 12283 B14R1.939 [13CH3]Oc1ccccc1C(=O)OCCO 7a_100000229999_200025704644 [0,2,0,0,0,0|1,0,0]=3 12284 B14R1.939 [13CH3]Sc1ccccc1C(=O)NCCO 62a_200000158863_200025704644 [0,2,0,0,0,0|2,0,0]=4 12285 B14R1.939 [13CH3]Sc1ccccc1C(=O)NCCO 62a_200025704644_200000158863 [0,2,0,0,0,0|2,0,0]=4 12286 B14R1.8282 CCCCC(=O)c1c(cccc1Br)Br 1458a_100000690891_100000210211 [0,2,0,0,0,0|1,0,0]=3 12287 B14R1.8282 CCCCC(=O)c1c(cccc1Br)C 1458a_100000701904_100000210211 [0,2,0,0,0,0|1,0,0]=3 12288 B14R1.8282 CCCCC(=O)c1c(cccc1Br)Cl 1458a_100011253703_100000210211 [0,2,0,0,0,0|1,0,0]=3 12289 B14R1.8282 CCCCC(=O)c1c(cccc1Br)F 1458a_100000752694_100000210211 [0,2,0,0,0,0|1,0,0]=3 12290 B14R1.8282 CCCCC(=O)c1c(cccc1Br)O 1458a_100011935254_100000210211 [0,2,0,0,0,0|1,0,0]=3 12291 B14R1.8282 CCCCC(=O)c1c(cccc1C)C 1458a_100000758298_100000210211 [0,2,0,0,0,0|1,0,0]=3 12292 B14R1.8282 CCCCC(=O)c1c(cccc1Cl)C 1458a_100000692601_100000210211 [0,2,0,0,0,0|1,0,0]=3 12293 B14R1.8282 CCCCC(=O)c1c(cccc1Cl)Cl 1458a_100000210656_100000210211 [0,2,0,0,0,0|1,0,0]=3 12294 B14R1.8282 CCCCC(=O)c1c(cccc1Cl)F 1458a_100000210369_100000210211 [0,2,0,0,0,0|1,0,0]=3 12295 B14R1.8282 CCCCC(=O)c1c(cccc1Cl)O 1458a_100000745519_100000210211 [0,2,0,0,0,0|1,0,0]=3 12296 B14R1.8282 CCCCC(=O)c1c(cccc1F)C 1458a_100000762013_100000210211 [0,2,0,0,0,0|1,0,0]=3 12297 B14R1.8282 CCCCC(=O)c1c(cccc1F)F 1458a_100000210804_100000210211 [0,2,0,0,0,0|1,0,0]=3 12298 B14R1.8282 CCCCC(=O)c1c(cccc1F)O 1458a_100000763259_100000210211 [0,2,0,0,0,0|1,0,0]=3 12299 B14R1.8282 CCCCC(=O)c1c(cccc1I)Br 1458a_100010232521_100000210211 [0,2,0,0,0,0|1,0,0]=3 12300 B14R1.8282 CCCCC(=O)c1c(cccc1I)C 1458a_100000688020_100000210211 [0,2,0,0,0,0|1,0,0]=3 12301 B14R1.8282 CCCCC(=O)c1c(cccc1I)Cl 1458a_100000702859_100000210211 [0,2,0,0,0,0|1,0,0]=3 12302 B14R1.8282 CCCCC(=O)c1c(cccc1I)F 1458a_100000023732_100000210211 [0,2,0,0,0,0|1,0,0]=3 12303 B14R1.8282 CCCCC(=O)c1c(cccc1O)C 1458a_100011934116_100000210211 [0,2,0,0,0,0|1,0,0]=3 12304 B14R1.8282 CCCCC(=O)c1c(cccc1O)O 1458a_100000755285_100000210211 [0,2,0,0,0,0|1,0,0]=3 12305 B14R1.8282 CCCNC(=O)c1c(cccc1Br)Br 11a_100020643023_100000690891 [0,2,0,0,0,0|1,0,0]=3 12306 B14R1.8282 CCCNC(=O)c1c(cccc1Br)Br 1626a_100020643023_100000690891 [0,2,0,0,0,0|1,0,0]=3 12307 B14R1.8282 CCCNC(=O)c1c(cccc1Br)Br 240690a_100020643023_100000690891 [0,2,0,0,0,0|1,0,0]=3 12308 B14R1.8282 CCCNC(=O)c1c(cccc1Br)Br 527a_100020643023_100000690891 [0,2,0,0,0,0|1,0,0]=3 12309 B14R1.8282 CCCNC(=O)c1c(cccc1Br)C 11a_100020643023_100000701904 [0,2,0,0,0,0|1,0,0]=3 12310 B14R1.8282 CCCNC(=O)c1c(cccc1Br)C 1626a_100020643023_100000701904 [0,2,0,0,0,0|1,0,0]=3 12311 B14R1.8282 CCCNC(=O)c1c(cccc1Br)C 240690a_100020643023_100000701904 [0,2,0,0,0,0|1,0,0]=3 12312 B14R1.8282 CCCNC(=O)c1c(cccc1Br)C 527a_100020643023_100000701904 [0,2,0,0,0,0|1,0,0]=3 12313 B14R1.8282 CCCNC(=O)c1c(cccc1Br)Cl 11a_100020643023_100011253703 [0,2,0,0,0,0|1,0,0]=3 12314 B14R1.8282 CCCNC(=O)c1c(cccc1Br)Cl 1626a_100020643023_100011253703 [0,2,0,0,0,0|1,0,0]=3 12315 B14R1.8282 CCCNC(=O)c1c(cccc1Br)Cl 240690a_100020643023_100011253703 [0,2,0,0,0,0|1,0,0]=3 12316 B14R1.8282 CCCNC(=O)c1c(cccc1Br)Cl 527a_100020643023_100011253703 [0,2,0,0,0,0|1,0,0]=3 12317 B14R1.8282 CCCNC(=O)c1c(cccc1Br)F 11a_100020643023_100000752694 [0,2,0,0,0,0|1,0,0]=3 12318 B14R1.8282 CCCNC(=O)c1c(cccc1Br)F 1626a_100020643023_100000752694 [0,2,0,0,0,0|1,0,0]=3 12319 B14R1.8282 CCCNC(=O)c1c(cccc1Br)F 240690a_100020643023_100000752694 [0,2,0,0,0,0|1,0,0]=3 12320 B14R1.8282 CCCNC(=O)c1c(cccc1Br)F 527a_100020643023_100000752694 [0,2,0,0,0,0|1,0,0]=3 12321 B14R1.8282 CCCNC(=O)c1c(cccc1Br)O 240690a_100020643023_100011935254 [0,2,0,0,0,0|1,0,0]=3 12322 B14R1.8282 CCCNC(=O)c1c(cccc1Br)O 527a_100020643023_100011935254 [0,2,0,0,0,0|1,0,0]=3 12323 B14R1.8282 CCCNC(=O)c1c(cccc1C)C 11a_100020643023_100000758298 [0,2,0,0,0,0|1,0,0]=3 12324 B14R1.8282 CCCNC(=O)c1c(cccc1C)C 1626a_100020643023_100000758298 [0,2,0,0,0,0|1,0,0]=3 12325 B14R1.8282 CCCNC(=O)c1c(cccc1C)C 240690a_100020643023_100000758298 [0,2,0,0,0,0|1,0,0]=3 12326 B14R1.8282 CCCNC(=O)c1c(cccc1Cl)C 11a_100020643023_100000692601 [0,2,0,0,0,0|1,0,0]=3 12327 B14R1.8282 CCCNC(=O)c1c(cccc1Cl)C 1626a_100020643023_100000692601 [0,2,0,0,0,0|1,0,0]=3 12328 B14R1.8282 CCCNC(=O)c1c(cccc1Cl)C 240690a_100020643023_100000692601 [0,2,0,0,0,0|1,0,0]=3 12329 B14R1.8282 CCCNC(=O)c1c(cccc1Cl)Cl 11a_100020643023_100000210656 [0,2,0,0,0,0|1,0,0]=3 12330 B14R1.8282 CCCNC(=O)c1c(cccc1Cl)Cl 1626a_100020643023_100000210656 [0,2,0,0,0,0|1,0,0]=3 12331 B14R1.8282 CCCNC(=O)c1c(cccc1Cl)Cl 240690a_100020643023_100000210656 [0,2,0,0,0,0|1,0,0]=3 12332 B14R1.8282 CCCNC(=O)c1c(cccc1Cl)F 11a_100020643023_100000210369 [0,2,0,0,0,0|1,0,0]=3 12333 B14R1.8282 CCCNC(=O)c1c(cccc1Cl)F 1626a_100020643023_100000210369 [0,2,0,0,0,0|1,0,0]=3 12334 B14R1.8282 CCCNC(=O)c1c(cccc1Cl)F 240690a_100020643023_100000210369 [0,2,0,0,0,0|1,0,0]=3 12335 B14R1.8282 CCCNC(=O)c1c(cccc1Cl)F 527a_100020643023_100000210369 [0,2,0,0,0,0|1,0,0]=3 12336 B14R1.8282 CCCNC(=O)c1c(cccc1Cl)O 240690a_100020643023_100000745519 [0,2,0,0,0,0|1,0,0]=3 12337 B14R1.8282 CCCNC(=O)c1c(cccc1Cl)O 527a_100020643023_100000745519 [0,2,0,0,0,0|1,0,0]=3 12338 B14R1.8282 CCCNC(=O)c1c(cccc1F)C 11a_100020643023_100000762013 [0,2,0,0,0,0|1,0,0]=3 12339 B14R1.8282 CCCNC(=O)c1c(cccc1F)C 1626a_100020643023_100000762013 [0,2,0,0,0,0|1,0,0]=3 12340 B14R1.8282 CCCNC(=O)c1c(cccc1F)C 240690a_100020643023_100000762013 [0,2,0,0,0,0|1,0,0]=3 12341 B14R1.8282 CCCNC(=O)c1c(cccc1F)C 527a_100020643023_100000762013 [0,2,0,0,0,0|1,0,0]=3 12342 B14R1.8282 CCCNC(=O)c1c(cccc1F)F 11a_100020643023_100000210804 [0,2,0,0,0,0|1,0,0]=3 12343 B14R1.8282 CCCNC(=O)c1c(cccc1F)F 1626a_100020643023_100000210804 [0,2,0,0,0,0|1,0,0]=3 12344 B14R1.8282 CCCNC(=O)c1c(cccc1F)F 240690a_100020643023_100000210804 [0,2,0,0,0,0|1,0,0]=3 12345 B14R1.8282 CCCNC(=O)c1c(cccc1F)F 527a_100020643023_100000210804 [0,2,0,0,0,0|1,0,0]=3 12346 B14R1.8282 CCCNC(=O)c1c(cccc1F)O 527a_100020643023_100000763259 [0,2,0,0,0,0|1,0,0]=3 12347 B14R1.8282 CCCNC(=O)c1c(cccc1I)Br 11a_100020643023_100010232521 [0,2,0,0,0,0|1,0,0]=3 12348 B14R1.8282 CCCNC(=O)c1c(cccc1I)Br 1626a_100020643023_100010232521 [0,2,0,0,0,0|1,0,0]=3 12349 B14R1.8282 CCCNC(=O)c1c(cccc1I)Br 240690a_100020643023_100010232521 [0,2,0,0,0,0|1,0,0]=3 12350 B14R1.8282 CCCNC(=O)c1c(cccc1I)Br 527a_100020643023_100010232521 [0,2,0,0,0,0|1,0,0]=3 12351 B14R1.8282 CCCNC(=O)c1c(cccc1I)C 11a_100020643023_100000688020 [0,2,0,0,0,0|1,0,0]=3 12352 B14R1.8282 CCCNC(=O)c1c(cccc1I)C 1626a_100020643023_100000688020 [0,2,0,0,0,0|1,0,0]=3 12353 B14R1.8282 CCCNC(=O)c1c(cccc1I)C 240690a_100020643023_100000688020 [0,2,0,0,0,0|1,0,0]=3 12354 B14R1.8282 CCCNC(=O)c1c(cccc1I)Cl 11a_100020643023_100000702859 [0,2,0,0,0,0|1,0,0]=3 12355 B14R1.8282 CCCNC(=O)c1c(cccc1I)Cl 1626a_100020643023_100000702859 [0,2,0,0,0,0|1,0,0]=3 12356 B14R1.8282 CCCNC(=O)c1c(cccc1I)Cl 240690a_100020643023_100000702859 [0,2,0,0,0,0|1,0,0]=3 12357 B14R1.8282 CCCNC(=O)c1c(cccc1I)Cl 527a_100020643023_100000702859 [0,2,0,0,0,0|1,0,0]=3 12358 B14R1.8282 CCCNC(=O)c1c(cccc1I)F 11a_100020643023_100000023732 [0,2,0,0,0,0|1,0,0]=3 12359 B14R1.8282 CCCNC(=O)c1c(cccc1I)F 1626a_100020643023_100000023732 [0,2,0,0,0,0|1,0,0]=3 12360 B14R1.8282 CCCNC(=O)c1c(cccc1I)F 240690a_100020643023_100000023732 [0,2,0,0,0,0|1,0,0]=3 12361 B14R1.8282 CCCNC(=O)c1c(cccc1O)O 527a_100020643023_100000755285 [0,2,0,0,0,0|1,0,0]=3 12362 B14R1.8282 CCCOC(C)c1c(cccc1Br)F 34a_100013085324_100000210303 [0,2,0,0,0,0|1,0,1]=4 12363 B14R1.8282 CCCOC(C)c1c(cccc1Br)F 7a_100013085324_100000210303 [0,2,0,0,0,0|1,0,1]=4 12364 B14R1.8282 CCCOC(C)c1c(cccc1C)C 34a_200000695261_100000210303 [0,2,0,0,0,0|1,0,1]=4 12365 B14R1.8282 CCCOC(C)c1c(cccc1C)C 7a_200000695261_100000210303 [0,2,0,0,0,0|1,0,1]=4 12366 B14R1.8282 CCCOC(C)c1c(cccc1Cl)Cl 34a_100011215154_100000210303 [0,2,0,0,0,0|1,0,1]=4 12367 B14R1.8282 CCCOC(C)c1c(cccc1Cl)Cl 7a_100011215154_100000210303 [0,2,0,0,0,0|1,0,1]=4 12368 B14R1.8282 CCCOC(C)c1c(cccc1F)F 34a_100000742607_100000210303 [0,2,0,0,0,0|1,0,1]=4 12369 B14R1.8282 CCCOC(C)c1c(cccc1F)F 7a_100000742607_100000210303 [0,2,0,0,0,0|1,0,1]=4 12370 B14R1.8282 CCCO[C@H](C)c1c(cccc1Cl)F 34a_200012136785_100000210303 [0,2,0,0,0,0|1,0,1]=4 12371 B14R1.8282 CCCO[C@H](C)c1c(cccc1Cl)F 7a_200012136785_100000210303 [0,2,0,0,0,0|1,0,1]=4 12372 B14R1.8282 CCNCC(=O)c1c(cccc1Cl)Cl 2230a_100015525214_100012340516 [0,2,0,0,0,0|2,0,0]=4 12373 B14R1.8282 CCNCC(=O)c1c(cccc1Cl)F 2230a_100015525214_100011219195 [0,2,0,0,0,0|2,0,0]=4 12374 B14R1.8282 CCNNC(=O)c1c(cccc1Br)Br 22a_100000756455_100000690891 [0,2,0,0,0,0|2,0,0]=4 12375 B14R1.8282 CCNNC(=O)c1c(cccc1Br)C 22a_100000756455_100000701904 [0,2,0,0,0,0|2,0,0]=4 12376 B14R1.8282 CCNNC(=O)c1c(cccc1Br)Cl 22a_100000756455_100011253703 [0,2,0,0,0,0|2,0,0]=4 12377 B14R1.8282 CCNNC(=O)c1c(cccc1Br)F 22a_100000756455_100000752694 [0,2,0,0,0,0|2,0,0]=4 12378 B14R1.8282 CCNNC(=O)c1c(cccc1Br)O 22a_100000756455_100011935254 [0,2,0,0,0,0|2,0,0]=4 12379 B14R1.8282 CCNNC(=O)c1c(cccc1C)C 22a_100000756455_100000758298 [0,2,0,0,0,0|2,0,0]=4 12380 B14R1.8282 CCNNC(=O)c1c(cccc1Cl)C 22a_100000756455_100000692601 [0,2,0,0,0,0|2,0,0]=4 12381 B14R1.8282 CCNNC(=O)c1c(cccc1Cl)Cl 22a_100000756455_100000210656 [0,2,0,0,0,0|2,0,0]=4 12382 B14R1.8282 CCNNC(=O)c1c(cccc1Cl)F 22a_100000756455_100000210369 [0,2,0,0,0,0|2,0,0]=4 12383 B14R1.8282 CCNNC(=O)c1c(cccc1Cl)O 22a_100000756455_100000745519 [0,2,0,0,0,0|2,0,0]=4 12384 B14R1.8282 CCNNC(=O)c1c(cccc1F)C 22a_100000756455_100000762013 [0,2,0,0,0,0|2,0,0]=4 12385 B14R1.8282 CCNNC(=O)c1c(cccc1F)F 22a_100000756455_100000210804 [0,2,0,0,0,0|2,0,0]=4 12386 B14R1.8282 CCNNC(=O)c1c(cccc1F)O 22a_100000756455_100000763259 [0,2,0,0,0,0|2,0,0]=4 12387 B14R1.8282 CCNNC(=O)c1c(cccc1I)Br 22a_100000756455_100010232521 [0,2,0,0,0,0|2,0,0]=4 12388 B14R1.8282 CCNNC(=O)c1c(cccc1I)C 22a_100000756455_100000688020 [0,2,0,0,0,0|2,0,0]=4 12389 B14R1.8282 CCNNC(=O)c1c(cccc1I)Cl 22a_100000756455_100000702859 [0,2,0,0,0,0|2,0,0]=4 12390 B14R1.8282 CCNNC(=O)c1c(cccc1I)F 22a_100000756455_100000023732 [0,2,0,0,0,0|2,0,0]=4 12391 B14R1.8282 CCNNC(=O)c1c(cccc1O)C 22a_100000756455_100011934116 [0,2,0,0,0,0|2,0,0]=4 12392 B14R1.8282 CCOCC(=O)c1c(cccc1Cl)Cl 34a_100121572206_100012340516 [0,2,0,0,0,0|2,0,0]=4 12393 B14R1.8282 CCOCC(=O)c1c(cccc1Cl)F 34a_100121572206_100011219195 [0,2,0,0,0,0|2,0,0]=4 12394 B14R1.8282 CCOCC(=O)c1c(cccc1F)F 34a_100121572206_100000199083 [0,2,0,0,0,0|2,0,0]=4 12395 B14R1.8282 CCSCC(=O)c1c(cccc1Cl)Cl 62a_100012340516_100000210202 [0,2,0,0,0,0|2,0,0]=4 12396 B14R1.8282 CCSCC(=O)c1c(cccc1Cl)F 62a_100000210202_100011219195 [0,2,0,0,0,0|2,0,0]=4 12397 B14R1.8282 CCSCC(=O)c1c(cccc1Cl)F 62a_100011219195_100000210202 [0,2,0,0,0,0|2,0,0]=4 12398 B14R1.8282 CCSCC(=O)c1c(cccc1F)F 62a_100000199083_100000210202 [0,2,0,0,0,0|2,0,0]=4 12399 B14R1.8282 CCSCC(=O)c1c(cccc1F)F 62a_100000210202_100000199083 [0,2,0,0,0,0|2,0,0]=4 12400 B14R1.8282 COCCC(=O)c1c(cccc1Br)Br 1458a_100000690891_100000233755 [0,2,0,0,0,0|2,0,0]=4 12401 B14R1.8282 COCCC(=O)c1c(cccc1Br)C 1458a_100000701904_100000233755 [0,2,0,0,0,0|2,0,0]=4 12402 B14R1.8282 COCCC(=O)c1c(cccc1Br)Cl 1458a_100011253703_100000233755 [0,2,0,0,0,0|2,0,0]=4 12403 B14R1.8282 COCCC(=O)c1c(cccc1Br)F 1458a_100000752694_100000233755 [0,2,0,0,0,0|2,0,0]=4 12404 B14R1.8282 COCCC(=O)c1c(cccc1Br)O 1458a_100011935254_100000233755 [0,2,0,0,0,0|2,0,0]=4 12405 B14R1.8282 COCCC(=O)c1c(cccc1C)C 1458a_100000758298_100000233755 [0,2,0,0,0,0|2,0,0]=4 12406 B14R1.8282 COCCC(=O)c1c(cccc1Cl)C 1458a_100000692601_100000233755 [0,2,0,0,0,0|2,0,0]=4 12407 B14R1.8282 COCCC(=O)c1c(cccc1Cl)Cl 1458a_100000210656_100000233755 [0,2,0,0,0,0|2,0,0]=4 12408 B14R1.8282 COCCC(=O)c1c(cccc1Cl)F 1458a_100000210369_100000233755 [0,2,0,0,0,0|2,0,0]=4 12409 B14R1.8282 COCCC(=O)c1c(cccc1Cl)O 1458a_100000745519_100000233755 [0,2,0,0,0,0|2,0,0]=4 12410 B14R1.8282 COCCC(=O)c1c(cccc1F)C 1458a_100000762013_100000233755 [0,2,0,0,0,0|2,0,0]=4 12411 B14R1.8282 COCCC(=O)c1c(cccc1F)F 1458a_100000210804_100000233755 [0,2,0,0,0,0|2,0,0]=4 12412 B14R1.8282 COCCC(=O)c1c(cccc1F)O 1458a_100000763259_100000233755 [0,2,0,0,0,0|2,0,0]=4 12413 B14R1.8282 COCCC(=O)c1c(cccc1I)Br 1458a_100010232521_100000233755 [0,2,0,0,0,0|2,0,0]=4 12414 B14R1.8282 COCCC(=O)c1c(cccc1I)C 1458a_100000688020_100000233755 [0,2,0,0,0,0|2,0,0]=4 12415 B14R1.8282 COCCC(=O)c1c(cccc1I)Cl 1458a_100000702859_100000233755 [0,2,0,0,0,0|2,0,0]=4 12416 B14R1.8282 COCCC(=O)c1c(cccc1I)F 1458a_100000023732_100000233755 [0,2,0,0,0,0|2,0,0]=4 12417 B14R1.8282 COCCC(=O)c1c(cccc1O)C 1458a_100011934116_100000233755 [0,2,0,0,0,0|2,0,0]=4 12418 B14R1.8282 COCCC(=O)c1c(cccc1O)O 1458a_100000755285_100000233755 [0,2,0,0,0,0|2,0,0]=4 12419 B14R1.8282 CSCCC(=O)c1c(cccc1Br)Br 1458a_100000690891_100000751147 [0,2,0,0,0,0|2,0,0]=4 12420 B14R1.8282 CSCCC(=O)c1c(cccc1Br)C 1458a_100000701904_100000751147 [0,2,0,0,0,0|2,0,0]=4 12421 B14R1.8282 CSCCC(=O)c1c(cccc1Br)Cl 1458a_100011253703_100000751147 [0,2,0,0,0,0|2,0,0]=4 12422 B14R1.8282 CSCCC(=O)c1c(cccc1Br)F 1458a_100000752694_100000751147 [0,2,0,0,0,0|2,0,0]=4 12423 B14R1.8282 CSCCC(=O)c1c(cccc1Br)O 1458a_100011935254_100000751147 [0,2,0,0,0,0|2,0,0]=4 12424 B14R1.8282 CSCCC(=O)c1c(cccc1C)C 1458a_100000758298_100000751147 [0,2,0,0,0,0|2,0,0]=4 12425 B14R1.8282 CSCCC(=O)c1c(cccc1Cl)C 1458a_100000692601_100000751147 [0,2,0,0,0,0|2,0,0]=4 12426 B14R1.8282 CSCCC(=O)c1c(cccc1Cl)Cl 1458a_100000210656_100000751147 [0,2,0,0,0,0|2,0,0]=4 12427 B14R1.8282 CSCCC(=O)c1c(cccc1Cl)F 1458a_100000210369_100000751147 [0,2,0,0,0,0|2,0,0]=4 12428 B14R1.8282 CSCCC(=O)c1c(cccc1Cl)O 1458a_100000745519_100000751147 [0,2,0,0,0,0|2,0,0]=4 12429 B14R1.8282 CSCCC(=O)c1c(cccc1F)C 1458a_100000762013_100000751147 [0,2,0,0,0,0|2,0,0]=4 12430 B14R1.8282 CSCCC(=O)c1c(cccc1F)F 1458a_100000210804_100000751147 [0,2,0,0,0,0|2,0,0]=4 12431 B14R1.8282 CSCCC(=O)c1c(cccc1F)O 1458a_100000763259_100000751147 [0,2,0,0,0,0|2,0,0]=4 12432 B14R1.8282 CSCCC(=O)c1c(cccc1I)Br 1458a_100010232521_100000751147 [0,2,0,0,0,0|2,0,0]=4 12433 B14R1.8282 CSCCC(=O)c1c(cccc1I)C 1458a_100000688020_100000751147 [0,2,0,0,0,0|2,0,0]=4 12434 B14R1.8282 CSCCC(=O)c1c(cccc1I)Cl 1458a_100000702859_100000751147 [0,2,0,0,0,0|2,0,0]=4 12435 B14R1.8282 CSCCC(=O)c1c(cccc1I)F 1458a_100000023732_100000751147 [0,2,0,0,0,0|2,0,0]=4 12436 B14R1.8282 CSCCC(=O)c1c(cccc1O)C 1458a_100011934116_100000751147 [0,2,0,0,0,0|2,0,0]=4 12437 B14R1.8282 CSCCC(=O)c1c(cccc1O)O 1458a_100000755285_100000751147 [0,2,0,0,0,0|2,0,0]=4 12438 B14R1.8282 Cc1cccc(c1C(=O)CCCF)Br 1458a_100000701904_100011934791 [0,2,0,0,0,0|2,0,0]=4 12439 B14R1.8282 Cc1cccc(c1C(=O)CCCF)C 1458a_100000758298_100011934791 [0,2,0,0,0,0|2,0,0]=4 12440 B14R1.8282 Cc1cccc(c1C(=O)CCCF)Cl 1458a_100000692601_100011934791 [0,2,0,0,0,0|2,0,0]=4 12441 B14R1.8282 Cc1cccc(c1C(=O)CCCF)F 1458a_100000762013_100011934791 [0,2,0,0,0,0|2,0,0]=4 12442 B14R1.8282 Cc1cccc(c1C(=O)CCCF)I 1458a_100000688020_100011934791 [0,2,0,0,0,0|2,0,0]=4 12443 B14R1.8282 Cc1cccc(c1C(=O)CCCF)O 1458a_100011934116_100011934791 [0,2,0,0,0,0|2,0,0]=4 12444 B14R1.8282 Cc1cccc(c1C(=O)CCCO)Br 1458a_100000701904_100011215043 [0,2,0,0,0,0|2,0,0]=4 12445 B14R1.8282 Cc1cccc(c1C(=O)CCCO)C 1458a_100000758298_100011215043 [0,2,0,0,0,0|2,0,0]=4 12446 B14R1.8282 Cc1cccc(c1C(=O)CCCO)Cl 1458a_100000692601_100011215043 [0,2,0,0,0,0|2,0,0]=4 12447 B14R1.8282 Cc1cccc(c1C(=O)CCCO)F 1458a_100000762013_100011215043 [0,2,0,0,0,0|2,0,0]=4 12448 B14R1.8282 Cc1cccc(c1C(=O)CCCO)I 1458a_100000688020_100011215043 [0,2,0,0,0,0|2,0,0]=4 12449 B14R1.8282 Cc1cccc(c1C(=O)CCCO)O 1458a_100011934116_100011215043 [0,2,0,0,0,0|2,0,0]=4 12450 B14R1.8282 Cc1cccc(c1C(=O)NCCF)Br 11a_100000724931_100000701904 [0,2,0,0,0,0|2,0,0]=4 12451 B14R1.8282 Cc1cccc(c1C(=O)NCCF)Br 1626a_100000724931_100000701904 [0,2,0,0,0,0|2,0,0]=4 12452 B14R1.8282 Cc1cccc(c1C(=O)NCCF)Br 240690a_100000724931_100000701904 [0,2,0,0,0,0|2,0,0]=4 12453 B14R1.8282 Cc1cccc(c1C(=O)NCCF)Br 527a_100000724931_100000701904 [0,2,0,0,0,0|2,0,0]=4 12454 B14R1.8282 Cc1cccc(c1C(=O)NCCF)C 11a_100000724931_100000758298 [0,2,0,0,0,0|2,0,0]=4 12455 B14R1.8282 Cc1cccc(c1C(=O)NCCF)C 1626a_100000724931_100000758298 [0,2,0,0,0,0|2,0,0]=4 12456 B14R1.8282 Cc1cccc(c1C(=O)NCCF)C 240690a_100000724931_100000758298 [0,2,0,0,0,0|2,0,0]=4 12457 B14R1.8282 Cc1cccc(c1C(=O)NCCF)Cl 11a_100000724931_100000692601 [0,2,0,0,0,0|2,0,0]=4 12458 B14R1.8282 Cc1cccc(c1C(=O)NCCF)Cl 1626a_100000724931_100000692601 [0,2,0,0,0,0|2,0,0]=4 12459 B14R1.8282 Cc1cccc(c1C(=O)NCCF)Cl 240690a_100000724931_100000692601 [0,2,0,0,0,0|2,0,0]=4 12460 B14R1.8282 Cc1cccc(c1C(=O)NCCF)F 11a_100000724931_100000762013 [0,2,0,0,0,0|2,0,0]=4 12461 B14R1.8282 Cc1cccc(c1C(=O)NCCF)F 1626a_100000724931_100000762013 [0,2,0,0,0,0|2,0,0]=4 12462 B14R1.8282 Cc1cccc(c1C(=O)NCCF)F 240690a_100000724931_100000762013 [0,2,0,0,0,0|2,0,0]=4 12463 B14R1.8282 Cc1cccc(c1C(=O)NCCF)F 527a_100000724931_100000762013 [0,2,0,0,0,0|2,0,0]=4 12464 B14R1.8282 Cc1cccc(c1C(=O)NCCF)I 11a_100000724931_100000688020 [0,2,0,0,0,0|2,0,0]=4 12465 B14R1.8282 Cc1cccc(c1C(=O)NCCF)I 1626a_100000724931_100000688020 [0,2,0,0,0,0|2,0,0]=4 12466 B14R1.8282 Cc1cccc(c1C(=O)NCCF)I 240690a_100000724931_100000688020 [0,2,0,0,0,0|2,0,0]=4 12467 B14R1.8282 Cc1cccc(c1C(=O)NCCO)Br 240690a_100000210304_100000701904 [0,2,0,0,0,0|2,0,0]=4 12468 B14R1.8282 Cc1cccc(c1C(=O)NCCO)Br 527a_100000210304_100000701904 [0,2,0,0,0,0|2,0,0]=4 12469 B14R1.8282 Cc1cccc(c1C(=O)NCCO)C 240690a_100000210304_100000758298 [0,2,0,0,0,0|2,0,0]=4 12470 B14R1.8282 Cc1cccc(c1C(=O)NCCO)Cl 240690a_100000210304_100000692601 [0,2,0,0,0,0|2,0,0]=4 12471 B14R1.8282 Cc1cccc(c1C(=O)NCCO)F 240690a_100000210304_100000762013 [0,2,0,0,0,0|2,0,0]=4 12472 B14R1.8282 Cc1cccc(c1C(=O)NCCO)F 527a_100000210304_100000762013 [0,2,0,0,0,0|2,0,0]=4 12473 B14R1.8282 Cc1cccc(c1C(=O)NCCO)I 240690a_100000210304_100000688020 [0,2,0,0,0,0|2,0,0]=4 12474 B14R1.8282 O=C(CCCF)c1c(cccc1Br)Br 1458a_100000690891_100011934791 [0,2,0,0,0,0|2,0,0]=4 12475 B14R1.8282 O=C(CCCF)c1c(cccc1Br)Cl 1458a_100011253703_100011934791 [0,2,0,0,0,0|2,0,0]=4 12476 B14R1.8282 O=C(CCCF)c1c(cccc1Br)F 1458a_100000752694_100011934791 [0,2,0,0,0,0|2,0,0]=4 12477 B14R1.8282 O=C(CCCF)c1c(cccc1Br)O 1458a_100011935254_100011934791 [0,2,0,0,0,0|2,0,0]=4 12478 B14R1.8282 O=C(CCCF)c1c(cccc1Cl)Cl 1458a_100000210656_100011934791 [0,2,0,0,0,0|2,0,0]=4 12479 B14R1.8282 O=C(CCCF)c1c(cccc1Cl)F 1458a_100000210369_100011934791 [0,2,0,0,0,0|2,0,0]=4 12480 B14R1.8282 O=C(CCCF)c1c(cccc1Cl)O 1458a_100000745519_100011934791 [0,2,0,0,0,0|2,0,0]=4 12481 B14R1.8282 O=C(CCCF)c1c(cccc1F)F 1458a_100000210804_100011934791 [0,2,0,0,0,0|2,0,0]=4 12482 B14R1.8282 O=C(CCCF)c1c(cccc1F)O 1458a_100000763259_100011934791 [0,2,0,0,0,0|2,0,0]=4 12483 B14R1.8282 O=C(CCCF)c1c(cccc1I)Br 1458a_100010232521_100011934791 [0,2,0,0,0,0|2,0,0]=4 12484 B14R1.8282 O=C(CCCF)c1c(cccc1I)Cl 1458a_100000702859_100011934791 [0,2,0,0,0,0|2,0,0]=4 12485 B14R1.8282 O=C(CCCF)c1c(cccc1I)F 1458a_100000023732_100011934791 [0,2,0,0,0,0|2,0,0]=4 12486 B14R1.8282 O=C(CCCF)c1c(cccc1O)O 1458a_100000755285_100011934791 [0,2,0,0,0,0|2,0,0]=4 12487 B14R1.8282 O=C(CCCO)c1c(cccc1Br)Br 1458a_100000690891_100011215043 [0,2,0,0,0,0|2,0,0]=4 12488 B14R1.8282 O=C(CCCO)c1c(cccc1Br)Cl 1458a_100011253703_100011215043 [0,2,0,0,0,0|2,0,0]=4 12489 B14R1.8282 O=C(CCCO)c1c(cccc1Br)F 1458a_100000752694_100011215043 [0,2,0,0,0,0|2,0,0]=4 12490 B14R1.8282 O=C(CCCO)c1c(cccc1Br)O 1458a_100011935254_100011215043 [0,2,0,0,0,0|2,0,0]=4 12491 B14R1.8282 O=C(CCCO)c1c(cccc1Cl)Cl 1458a_100000210656_100011215043 [0,2,0,0,0,0|2,0,0]=4 12492 B14R1.8282 O=C(CCCO)c1c(cccc1Cl)F 1458a_100000210369_100011215043 [0,2,0,0,0,0|2,0,0]=4 12493 B14R1.8282 O=C(CCCO)c1c(cccc1Cl)O 1458a_100000745519_100011215043 [0,2,0,0,0,0|2,0,0]=4 12494 B14R1.8282 O=C(CCCO)c1c(cccc1F)F 1458a_100000210804_100011215043 [0,2,0,0,0,0|2,0,0]=4 12495 B14R1.8282 O=C(CCCO)c1c(cccc1F)O 1458a_100000763259_100011215043 [0,2,0,0,0,0|2,0,0]=4 12496 B14R1.8282 O=C(CCCO)c1c(cccc1I)Br 1458a_100010232521_100011215043 [0,2,0,0,0,0|2,0,0]=4 12497 B14R1.8282 O=C(CCCO)c1c(cccc1I)Cl 1458a_100000702859_100011215043 [0,2,0,0,0,0|2,0,0]=4 12498 B14R1.8282 O=C(CCCO)c1c(cccc1I)F 1458a_100000023732_100011215043 [0,2,0,0,0,0|2,0,0]=4 12499 B14R1.8282 O=C(CCCO)c1c(cccc1O)O 1458a_100000755285_100011215043 [0,2,0,0,0,0|2,0,0]=4 12500 B14R1.8282 O=C(NCCF)c1c(cccc1Br)Br 11a_100000724931_100000690891 [0,2,0,0,0,0|2,0,0]=4 12501 B14R1.8282 O=C(NCCF)c1c(cccc1Br)Br 1626a_100000724931_100000690891 [0,2,0,0,0,0|2,0,0]=4 12502 B14R1.8282 O=C(NCCF)c1c(cccc1Br)Br 240690a_100000724931_100000690891 [0,2,0,0,0,0|2,0,0]=4 12503 B14R1.8282 O=C(NCCF)c1c(cccc1Br)Br 527a_100000724931_100000690891 [0,2,0,0,0,0|2,0,0]=4 12504 B14R1.8282 O=C(NCCF)c1c(cccc1Br)Cl 11a_100000724931_100011253703 [0,2,0,0,0,0|2,0,0]=4 12505 B14R1.8282 O=C(NCCF)c1c(cccc1Br)Cl 1626a_100000724931_100011253703 [0,2,0,0,0,0|2,0,0]=4 12506 B14R1.8282 O=C(NCCF)c1c(cccc1Br)Cl 240690a_100000724931_100011253703 [0,2,0,0,0,0|2,0,0]=4 12507 B14R1.8282 O=C(NCCF)c1c(cccc1Br)Cl 527a_100000724931_100011253703 [0,2,0,0,0,0|2,0,0]=4 12508 B14R1.8282 O=C(NCCF)c1c(cccc1Br)F 11a_100000724931_100000752694 [0,2,0,0,0,0|2,0,0]=4 12509 B14R1.8282 O=C(NCCF)c1c(cccc1Br)F 1626a_100000724931_100000752694 [0,2,0,0,0,0|2,0,0]=4 12510 B14R1.8282 O=C(NCCF)c1c(cccc1Br)F 240690a_100000724931_100000752694 [0,2,0,0,0,0|2,0,0]=4 12511 B14R1.8282 O=C(NCCF)c1c(cccc1Br)F 527a_100000724931_100000752694 [0,2,0,0,0,0|2,0,0]=4 12512 B14R1.8282 O=C(NCCF)c1c(cccc1Br)O 240690a_100000724931_100011935254 [0,2,0,0,0,0|2,0,0]=4 12513 B14R1.8282 O=C(NCCF)c1c(cccc1Br)O 527a_100000724931_100011935254 [0,2,0,0,0,0|2,0,0]=4 12514 B14R1.8282 O=C(NCCF)c1c(cccc1Cl)Cl 11a_100000724931_100000210656 [0,2,0,0,0,0|2,0,0]=4 12515 B14R1.8282 O=C(NCCF)c1c(cccc1Cl)Cl 1626a_100000724931_100000210656 [0,2,0,0,0,0|2,0,0]=4 12516 B14R1.8282 O=C(NCCF)c1c(cccc1Cl)Cl 240690a_100000724931_100000210656 [0,2,0,0,0,0|2,0,0]=4 12517 B14R1.8282 O=C(NCCF)c1c(cccc1Cl)F 11a_100000724931_100000210369 [0,2,0,0,0,0|2,0,0]=4 12518 B14R1.8282 O=C(NCCF)c1c(cccc1Cl)F 1626a_100000724931_100000210369 [0,2,0,0,0,0|2,0,0]=4 12519 B14R1.8282 O=C(NCCF)c1c(cccc1Cl)F 240690a_100000724931_100000210369 [0,2,0,0,0,0|2,0,0]=4 12520 B14R1.8282 O=C(NCCF)c1c(cccc1Cl)F 527a_100000724931_100000210369 [0,2,0,0,0,0|2,0,0]=4 12521 B14R1.8282 O=C(NCCF)c1c(cccc1Cl)O 240690a_100000724931_100000745519 [0,2,0,0,0,0|2,0,0]=4 12522 B14R1.8282 O=C(NCCF)c1c(cccc1Cl)O 527a_100000724931_100000745519 [0,2,0,0,0,0|2,0,0]=4 12523 B14R1.8282 O=C(NCCF)c1c(cccc1F)F 11a_100000724931_100000210804 [0,2,0,0,0,0|2,0,0]=4 12524 B14R1.8282 O=C(NCCF)c1c(cccc1F)F 1626a_100000724931_100000210804 [0,2,0,0,0,0|2,0,0]=4 12525 B14R1.8282 O=C(NCCF)c1c(cccc1F)F 240690a_100000724931_100000210804 [0,2,0,0,0,0|2,0,0]=4 12526 B14R1.8282 O=C(NCCF)c1c(cccc1F)F 527a_100000724931_100000210804 [0,2,0,0,0,0|2,0,0]=4 12527 B14R1.8282 O=C(NCCF)c1c(cccc1F)O 527a_100000724931_100000763259 [0,2,0,0,0,0|2,0,0]=4 12528 B14R1.8282 O=C(NCCF)c1c(cccc1I)Br 11a_100000724931_100010232521 [0,2,0,0,0,0|2,0,0]=4 12529 B14R1.8282 O=C(NCCF)c1c(cccc1I)Br 1626a_100000724931_100010232521 [0,2,0,0,0,0|2,0,0]=4 12530 B14R1.8282 O=C(NCCF)c1c(cccc1I)Br 240690a_100000724931_100010232521 [0,2,0,0,0,0|2,0,0]=4 12531 B14R1.8282 O=C(NCCF)c1c(cccc1I)Br 527a_100000724931_100010232521 [0,2,0,0,0,0|2,0,0]=4 12532 B14R1.8282 O=C(NCCF)c1c(cccc1I)Cl 11a_100000724931_100000702859 [0,2,0,0,0,0|2,0,0]=4 12533 B14R1.8282 O=C(NCCF)c1c(cccc1I)Cl 1626a_100000724931_100000702859 [0,2,0,0,0,0|2,0,0]=4 12534 B14R1.8282 O=C(NCCF)c1c(cccc1I)Cl 240690a_100000724931_100000702859 [0,2,0,0,0,0|2,0,0]=4 12535 B14R1.8282 O=C(NCCF)c1c(cccc1I)Cl 527a_100000724931_100000702859 [0,2,0,0,0,0|2,0,0]=4 12536 B14R1.8282 O=C(NCCF)c1c(cccc1I)F 11a_100000724931_100000023732 [0,2,0,0,0,0|2,0,0]=4 12537 B14R1.8282 O=C(NCCF)c1c(cccc1I)F 1626a_100000724931_100000023732 [0,2,0,0,0,0|2,0,0]=4 12538 B14R1.8282 O=C(NCCF)c1c(cccc1I)F 240690a_100000724931_100000023732 [0,2,0,0,0,0|2,0,0]=4 12539 B14R1.8282 O=C(NCCF)c1c(cccc1O)O 527a_100000724931_100000755285 [0,2,0,0,0,0|2,0,0]=4 12540 B14R1.8282 O=C(NCCO)c1c(cccc1Br)Br 240690a_100000210304_100000690891 [0,2,0,0,0,0|2,0,0]=4 12541 B14R1.8282 O=C(NCCO)c1c(cccc1Br)Br 527a_100000210304_100000690891 [0,2,0,0,0,0|2,0,0]=4 12542 B14R1.8282 O=C(NCCO)c1c(cccc1Br)Cl 240690a_100000210304_100011253703 [0,2,0,0,0,0|2,0,0]=4 12543 B14R1.8282 O=C(NCCO)c1c(cccc1Br)Cl 527a_100000210304_100011253703 [0,2,0,0,0,0|2,0,0]=4 12544 B14R1.8282 O=C(NCCO)c1c(cccc1Br)F 240690a_100000210304_100000752694 [0,2,0,0,0,0|2,0,0]=4 12545 B14R1.8282 O=C(NCCO)c1c(cccc1Br)F 527a_100000210304_100000752694 [0,2,0,0,0,0|2,0,0]=4 12546 B14R1.8282 O=C(NCCO)c1c(cccc1Br)O 240690a_100000210304_100011935254 [0,2,0,0,0,0|2,0,0]=4 12547 B14R1.8282 O=C(NCCO)c1c(cccc1Br)O 527a_100000210304_100011935254 [0,2,0,0,0,0|2,0,0]=4 12548 B14R1.8282 O=C(NCCO)c1c(cccc1Cl)Cl 240690a_100000210304_100000210656 [0,2,0,0,0,0|2,0,0]=4 12549 B14R1.8282 O=C(NCCO)c1c(cccc1Cl)F 240690a_100000210304_100000210369 [0,2,0,0,0,0|2,0,0]=4 12550 B14R1.8282 O=C(NCCO)c1c(cccc1Cl)F 527a_100000210304_100000210369 [0,2,0,0,0,0|2,0,0]=4 12551 B14R1.8282 O=C(NCCO)c1c(cccc1Cl)O 240690a_100000210304_100000745519 [0,2,0,0,0,0|2,0,0]=4 12552 B14R1.8282 O=C(NCCO)c1c(cccc1Cl)O 527a_100000210304_100000745519 [0,2,0,0,0,0|2,0,0]=4 12553 B14R1.8282 O=C(NCCO)c1c(cccc1F)F 240690a_100000210304_100000210804 [0,2,0,0,0,0|2,0,0]=4 12554 B14R1.8282 O=C(NCCO)c1c(cccc1F)F 527a_100000210304_100000210804 [0,2,0,0,0,0|2,0,0]=4 12555 B14R1.8282 O=C(NCCO)c1c(cccc1F)O 527a_100000210304_100000763259 [0,2,0,0,0,0|2,0,0]=4 12556 B14R1.8282 O=C(NCCO)c1c(cccc1I)Br 240690a_100000210304_100010232521 [0,2,0,0,0,0|2,0,0]=4 12557 B14R1.8282 O=C(NCCO)c1c(cccc1I)Br 527a_100000210304_100010232521 [0,2,0,0,0,0|2,0,0]=4 12558 B14R1.8282 O=C(NCCO)c1c(cccc1I)Cl 240690a_100000210304_100000702859 [0,2,0,0,0,0|2,0,0]=4 12559 B14R1.8282 O=C(NCCO)c1c(cccc1I)Cl 527a_100000210304_100000702859 [0,2,0,0,0,0|2,0,0]=4 12560 B14R1.8282 O=C(NCCO)c1c(cccc1I)F 240690a_100000210304_100000023732 [0,2,0,0,0,0|2,0,0]=4 12561 B14R1.8282 O=C(NCCO)c1c(cccc1O)O 527a_100000210304_100000755285 [0,2,0,0,0,0|2,0,0]=4 12562 B12R1.18 CCCOc1cccccc1=O 34a_100000036025_100000210303 [0,0,1,1,0,0|2,0,0]=4 12563 B12R1.18 CCCOc1cccccc1=O 7a_100000036025_100000210303 [0,0,1,1,0,0|2,0,0]=4 12564 B12R1.121 C=Cc1ccccc1NCCC 34a_100012022501_100000210303 [0,0,1,1,0,0|2,0,0]=4 12565 B12R1.121 C=Cc1ccccc1OCCC 271570a_100011290941_100000174042 [0,0,1,1,0,0|1,0,0]=3 12566 B12R1.121 C=Cc1ccccc1OCCN 271570a_100011290941_100000744007 [0,0,1,1,0,0|2,0,0]=4 12567 B12R1.121 C=Cc1ccccc1OCCO 271570a_100011290941_100000230753 [0,0,1,1,0,0|2,0,0]=4 12568 B12R1.121 C=Cc1ccccc1OCOC 271570a_100011290941_200000230759 [0,0,1,1,0,0|2,0,0]=4 12569 B12R1.121 C=Cc1ccccc1SCCC 62a_100000210303_100011218376 [0,0,1,1,0,0|1,1,0]=4 12570 B12R1.121 C=Cc1ccccc1SCCC 62a_100011218376_100000210303 [0,0,1,1,0,0|1,1,0]=4 12571 B12R1.121 C=Cc1cccnc1OCCC 271570a_100011290941_200011465209 [0,0,1,1,0,0|1,0,0]=3 12572 B12R1.382 C=Cc1cccc(c1)CCCC 271570a_100011290941_200010244551 [0,0,1,1,0,0|2,0,0]=4 12573 B12R1.382 C=Cc1cccc(c1)NCCC 34a_100011827668_100000210303 [0,0,1,1,0,0|2,0,0]=4 12574 B12R1.382 C=Cc1cccc(c1)OCCC 271570a_100011290941_100000170004 [0,0,1,1,0,0|1,0,0]=3 12575 B12R1.382 C=Cc1cccc(c1)OCCC 34a_100011309434_100000210303 [0,0,1,1,0,0|1,0,0]=3 12576 B12R1.382 C=Cc1cccc(c1)OCCC 7a_100011309434_100000210303 [0,0,1,1,0,0|1,0,0]=3 12577 B12R1.382 C=Cc1cccc(c1)OCCF 34a_100011309434_100011217306 [0,0,1,1,0,0|2,0,0]=4 12578 B12R1.382 C=Cc1cccc(c1)OCCF 7a_100011309434_100011217306 [0,0,1,1,0,0|2,0,0]=4 12579 B12R1.382 C=Cc1cccc(c1)OCCN 271570a_100011290941_100000743521 [0,0,1,1,0,0|2,0,0]=4 12580 B12R1.382 C=Cc1cccc(c1)OCCO 271570a_100011290941_100000757546 [0,0,1,1,0,0|2,0,0]=4 12581 B12R1.382 C=Cc1cccc(c1)OCCO 34a_100011309434_100000211926 [0,0,1,1,0,0|2,0,0]=4 12582 B12R1.382 C=Cc1cccc(c1)OCCO 7a_100011309434_100000211926 [0,0,1,1,0,0|2,0,0]=4 12583 B12R1.382 C=Cc1cccc(c1)OCOC 271570a_100011290941_100012265688 [0,0,1,1,0,0|2,0,0]=4 12584 B12R1.382 C=Cc1cccc(c1)OCSC 34a_100011309434_100011218213 [0,0,1,1,0,0|2,0,0]=4 12585 B12R1.382 C=Cc1cccc(c1)SCCC 271570a_100011290941_200009815762 [0,0,1,1,0,0|1,1,0]=4 12586 B12R1.382 C=Cc1cccc(c1)SCCC 62a_100000210303_100011215241 [0,0,1,1,0,0|1,1,0]=4 12587 B12R1.382 C=Cc1cccc(c1)SCCC 62a_100011215241_100000210303 [0,0,1,1,0,0|1,1,0]=4 12588 B12R1.382 C=Cc1cccc(n1)NCCC 271570a_100011290941_200025756634 [0,0,1,1,0,0|2,0,0]=4 12589 B12R1.382 C=Cc1cccc(n1)OCCC 271570a_100011290941_200011960250 [0,0,1,1,0,0|1,0,0]=3 12590 B12R1.382 C=Cc1cncc(c1)OCCC 271570a_100011290941_200012029621 [0,0,1,1,0,0|2,0,0]=4 12591 B12R2.2 C1=C(CCC1)c2ccccc2 271570a_100000089523_100000210277 [1,0,0,1,0,0|1,0,0]=3 12592 B12R2.2 C1=C(CCC1)c2ccccn2 271570a_100000089523_100011216584 [1,0,0,1,0,0|2,0,0]=4 12593 B12R2.2 C1=C(CCC1)c2cccnc2 271570a_100000089523_100000752921 [1,0,0,1,0,0|2,0,0]=4 12594 B12R2.2 C1=C(CCC1)c2ccncc2 271570a_100000089523_100000035832 [1,0,0,1,0,0|2,0,0]=4 12595 B12R2.2 C1=C(CCO1)c2ccccc2 271570a_100000118173_100000210277 [1,0,0,1,0,0|2,0,0]=4 12596 B12R2.2 C1=C(COC1)c2ccccc2 271570a_100009872500_100000210277 [1,0,0,1,0,0|2,0,0]=4 12597 B12R2.2075 C=C(c1ccccc1)C2CC2 271570a_100010895485_100000210277 [1,0,0,1,0,0|1,0,0]=3 12598 B12R2.2075 C=C(c1ccccn1)C2CC2 271570a_100010895485_100011216584 [1,0,0,1,0,0|2,0,0]=4 12599 B12R2.2075 C=C(c1cccnc1)C2CC2 271570a_100010895485_100000752921 [1,0,0,1,0,0|2,0,0]=4 12600 B12R2.2075 C=C(c1ccncc1)C2CC2 271570a_100010895485_100000035832 [1,0,0,1,0,0|2,0,0]=4 12601 B12R2.2075 CN(c1ccccc1)C2CC2 269982a_100000210012_100000211595 [1,0,0,1,0,0|2,0,0]=4 12602 B12R2.2075 CN(c1ccccc1)C2CC2 34a_100000210012_100000211595 [1,0,0,1,0,0|2,0,0]=4 12603 B12R2.2057 C(#CC1CC1)c2ccccc2 271570a_200009880635_100000210277 [1,0,0,1,0,0|1,0,1]=4 12604 B12R2.2057 C(=CC1CC1)c2ccccc2 271570a_100102526188_100000210277 [1,0,0,1,0,0|1,0,0]=3 12605 B12R2.2057 C(=CC1CC1)c2ccccn2 271570a_100102526188_100011216584 [1,0,0,1,0,0|2,0,0]=4 12606 B12R2.2057 C(=CC1CC1)c2cccnc2 271570a_100102526188_100000752921 [1,0,0,1,0,0|2,0,0]=4 12607 B12R2.2057 C(=CC1CC1)c2ccncc2 271570a_100102526188_100000035832 [1,0,0,1,0,0|2,0,0]=4 12608 B12R2.2057 c1ccc(cc1)CNC2CC2 34a_100000212008_100015291786 [1,0,0,1,0,0|1,0,1]=4 12609 B12R2.2057 c1ccc(cc1)CNC2CC2 34a_100015324214_100000211595 [1,0,0,1,0,0|1,0,1]=4 12610 B12R2.2057 c1ccc(cc1)COC2CC2 34a_100000210790_100000211595 [1,0,0,1,0,0|0,0,1]=3 12611 B12R2.2057 c1ccc(cc1)CSC2CC2 62a_100000211182_100000211595 [1,0,0,1,0,0|0,1,1]=4 12612 B12R2.2057 c1ccc(cc1)NCC2CC2 34a_100000106764_100000742324 [1,0,0,1,0,0|2,0,0]=4 12613 B12R2.2057 c1ccc(cc1)OCC2CC2 34a_100000210340_100000742324 [1,0,0,1,0,0|2,0,0]=4 12614 B12R2.2057 c1ccc(cc1)OCC2CC2 7a_100000210340_100000742324 [1,0,0,1,0,0|2,0,0]=4 12615 B12R2.2057 c1ccc(cc1)SCC2CC2 62a_100000719477_100000742324 [1,0,0,1,0,0|2,0,0]=4 12616 B12R2.2057 c1ccc(cc1)SCC2CC2 62a_100000756562_100000041952 [1,0,0,1,0,0|2,0,0]=4 12617 B12R2.2058 c1ccc(cc1)CN2CCC2 269982a_100000754969_100000211182 [1,0,0,1,0,0|1,0,1]=4 12618 B12R2.2058 c1ccc(cc1)NC2CCC2 34a_100000106764_100000749161 [1,0,0,1,0,0|2,0,0]=4 12619 B12R2.2058 c1ccc(cc1)OC2CCC2 34a_100000210340_100000749161 [1,0,0,1,0,0|2,0,0]=4 12620 B12R2.2058 c1ccc(cc1)SC2CCC2 62a_100000719477_100000749161 [1,0,0,1,0,0|2,0,0]=4 12621 B14R2.67 CCCCc1cc2ccccc2[nH]1 271570a_100020621405_100010232065 [0,0,0,1,0,1|2,0,0]=4 12622 B14R2.67 CCCCc1cc2ccccc2o1 271570a_100020621405_100010159458 [0,0,0,1,0,1|1,0,1]=4 12623 B14R2.67 CCCCc1cc2ccccc2s1 271570a_100020621405_100009816949 [0,0,0,1,0,1|1,1,0]=4 12624 B14R2.67 CCCCc1nc2ccccc2[nH]1 271570a_100020621405_100009814255 [0,0,0,1,0,1|2,0,0]=4 12625 B14R2.67 CCCCc1nc2ccccc2s1 271570a_100020621405_100000751744 [0,0,0,1,0,1|1,1,0]=4 12626 B14R2.67 CCCOC1Cc2ccccc2C1 34a_100000210258_100000753484 [0,0,0,1,0,1|1,0,1]=4 12627 B14R2.67 CCCOC1Cc2ccccc2C1 34a_100011215286_100000210303 [0,0,0,1,0,1|1,0,1]=4 12628 B14R2.67 CCCSc1cc2ccccc2[nH]1 62a_100000210303_100010232065 [0,0,0,1,0,1|1,1,0]=4 12629 B14R2.67 CCCSc1cc2ccccc2o1 62a_100000210303_100010159458 [0,0,0,1,0,1|0,1,1]=4 12630 B14R2.67 CCCSc1cc2ccccc2s1 62a_100000210303_100009816949 [0,0,0,1,0,1|0,2,0]=4 12631 B14R2.67 CCCSc1nc2ccccc2[nH]1 62a_100000210303_100009814255 [0,0,0,1,0,1|1,1,0]=4 12632 B14R2.67 CCCSc1nc2ccccc2s1 62a_100000210303_100000751744 [0,0,0,1,0,1|0,2,0]=4 12633 B14R2.343 CC1CC1C(=O)Cc2ccccc2 1458a_100000211227_100015291786 [0,0,0,1,0,1|1,0,0]=3 12634 B14R2.343 CC1CC1C(=O)Cc2ccccn2 1458a_100000211227_100000721315 [0,0,0,1,0,1|2,0,0]=4 12635 B14R2.343 CC1CC1C(=O)Cc2cccnc2 1458a_100000211227_100000733263 [0,0,0,1,0,1|2,0,0]=4 12636 B14R2.343 CC1CC1C(=O)Cc2ccncc2 1458a_100000211227_100000705612 [0,0,0,1,0,1|2,0,0]=4 12637 B14R2.343 CC1CC1C(=O)Nc2ccccc2 11a_100000106764_100000211227 [0,0,0,1,0,1|1,0,0]=3 12638 B14R2.343 CC1CC1C(=O)Nc2ccccc2 1626a_100000106764_100000211227 [0,0,0,1,0,1|1,0,0]=3 12639 B14R2.343 CC1CC1C(=O)Nc2ccccc2 22a_100000106764_100000211227 [0,0,0,1,0,1|1,0,0]=3 12640 B14R2.343 CC1CC1C(=O)Nc2ccccc2 527a_100000106764_100000211227 [0,0,0,1,0,1|1,0,0]=3 12641 B14R2.343 O=C(Cc1ccccc1)[C@@H]2C[C@@H]2F 1458a_100015396687_100015291786 [0,0,0,1,0,1|2,0,0]=4 12642 B14R2.343 O=C(Nc1ccccc1)[C@@H]2C[C@@H]2F 11a_100000106764_100015396687 [0,0,0,1,0,1|2,0,0]=4 12643 B14R2.343 O=C(Nc1ccccc1)[C@@H]2C[C@@H]2F 22a_100000106764_100015396687 [0,0,0,1,0,1|2,0,0]=4 12644 B14R2.343 O=C(Nc1ccccc1)[C@@H]2C[C@@H]2F 527a_100000106764_100015396687 [0,0,0,1,0,1|2,0,0]=4 12645 B14R2.517 CCSC1C(=O)Nc2c1cccc2 62a_100000210202_200009996675 [0,0,0,1,0,1|2,0,0]=4 12646 B14R2.9589 O=C(C[n+]1ccccc1)C2CCC2 1458a_200000086051_100000749161 [0,0,0,1,0,1|2,0,0]=4 12647 B14R2.9589 O=C(C[n+]1ccccc1)N2CCC2 11a_100000754969_200000086051 [0,0,0,1,0,1|2,0,0]=4 12648 B14R2.9589 O=C(C[n+]1ccccc1)N2CCC2 240690a_100000754969_200000086051 [0,0,0,1,0,1|2,0,0]=4 12649 B14R2.9589 O=C(C[n+]1ccccc1)N2CCC2 527a_100000754969_200000086051 [0,0,0,1,0,1|2,0,0]=4 12650 B14R2.9589 O=C(Cc1ccccc1)C2CCC2 1458a_100000209988_100015291786 [0,0,0,1,0,1|1,0,0]=3 12651 B14R2.9589 O=C(Cc1ccccc1)C2CCO2 1458a_100000089072_100015291786 [0,0,0,1,0,1|2,0,0]=4 12652 B14R2.9589 O=C(Cc1ccccc1)C2COC2 1458a_100000758290_100015291786 [0,0,0,1,0,1|2,0,0]=4 12653 B14R2.9589 O=C(Cc1ccccn1)C2CCC2 1458a_100000209988_100000721315 [0,0,0,1,0,1|2,0,0]=4 12654 B14R2.9589 O=C(Cc1ccccn1)C2CCC2 1458a_100000233486_100000749161 [0,0,0,1,0,1|2,0,0]=4 12655 B14R2.9589 O=C(Cc1ccccn1)N2CCC2 11a_100000754969_100000233486 [0,0,0,1,0,1|2,0,0]=4 12656 B14R2.9589 O=C(Cc1cccnc1)C2CCC2 1458a_100000209988_100000733263 [0,0,0,1,0,1|2,0,0]=4 12657 B14R2.9589 O=C(Cc1cccnc1)C2CCC2 1458a_100000737805_100000749161 [0,0,0,1,0,1|2,0,0]=4 12658 B14R2.9589 O=C(Cc1cccnc1)N2CCC2 11a_100000754969_100000737805 [0,0,0,1,0,1|2,0,0]=4 12659 B14R2.9589 O=C(Cc1cccnc1)N2CCC2 240690a_100000754969_100000737805 [0,0,0,1,0,1|2,0,0]=4 12660 B14R2.9589 O=C(Cc1cccnc1)N2CCC2 527a_100000754969_100000737805 [0,0,0,1,0,1|2,0,0]=4 12661 B14R2.9589 O=C(Cc1ccncc1)C2CCC2 1458a_100000209988_100000705612 [0,0,0,1,0,1|2,0,0]=4 12662 B14R2.9589 O=C(Cc1ccncc1)N2CCC2 11a_100000754969_100011201483 [0,0,0,1,0,1|2,0,0]=4 12663 B14R2.9589 O=C(Cc1ccncc1)N2CCC2 240690a_100000754969_100011201483 [0,0,0,1,0,1|2,0,0]=4 12664 B14R2.9589 O=C(Nc1ccccc1)C2CCC2 11a_100000106764_100000209988 [0,0,0,1,0,1|1,0,0]=3 12665 B14R2.9589 O=C(Nc1ccccc1)C2CCC2 1626a_100000106764_100000209988 [0,0,0,1,0,1|1,0,0]=3 12666 B14R2.9589 O=C(Nc1ccccc1)C2CCC2 22a_100000106764_100000209988 [0,0,0,1,0,1|1,0,0]=3 12667 B14R2.9589 O=C(Nc1ccccc1)C2CCC2 527a_100000106764_100000209988 [0,0,0,1,0,1|1,0,0]=3 12668 B14R2.9589 O=C(Nc1ccccc1)C2CCO2 11a_100000106764_100000089072 [0,0,0,1,0,1|2,0,0]=4 12669 B14R2.9589 O=C(Nc1ccccc1)C2CCO2 1626a_100000106764_100000089072 [0,0,0,1,0,1|2,0,0]=4 12670 B14R2.9589 O=C(Nc1ccccc1)C2CCO2 22a_100000106764_100000089072 [0,0,0,1,0,1|2,0,0]=4 12671 B14R2.9589 O=C(Nc1ccccc1)C2CCO2 527a_100000106764_100000089072 [0,0,0,1,0,1|2,0,0]=4 12672 B14R2.9589 O=C(Nc1ccccc1)C2COC2 11a_100000106764_100000758290 [0,0,0,1,0,1|2,0,0]=4 12673 B14R2.9589 O=C(Nc1ccccc1)C2COC2 1626a_100000106764_100000758290 [0,0,0,1,0,1|2,0,0]=4 12674 B14R2.9589 O=C(Nc1ccccc1)C2COC2 22a_100000106764_100000758290 [0,0,0,1,0,1|2,0,0]=4 12675 B14R2.9589 O=C(Nc1ccccc1)C2COC2 527a_100000106764_100000758290 [0,0,0,1,0,1|2,0,0]=4 12676 B14R2.9589 O=C(Nc1ccccc1)N2CCC2 2430a_100000106764_100000754969 [0,0,0,1,0,1|1,0,0]=3 12677 B14R2.9593 CC(Cc1ccccc1)OC2CC2 34a_100000748627_100000211595 [0,0,0,1,0,1|1,0,1]=4 12678 B14R2.9593 O=C(CC1CC1)C[n+]2ccccc2 1458a_200000086051_100000742324 [0,0,0,1,0,1|2,0,0]=4 12679 B14R2.9593 O=C(CC1CC1)Nc2ccccc2 11a_100000106764_100000738066 [0,0,0,1,0,1|1,0,0]=3 12680 B14R2.9593 O=C(CC1CC1)Nc2ccccc2 1626a_100000106764_100000738066 [0,0,0,1,0,1|1,0,0]=3 12681 B14R2.9593 O=C(CC1CC1)Nc2ccccc2 22a_100000106764_100000738066 [0,0,0,1,0,1|1,0,0]=3 12682 B14R2.9593 O=C(CC1CC1)Nc2ccccc2 527a_100000106764_100000738066 [0,0,0,1,0,1|1,0,0]=3 12683 B14R2.9593 O=C(C[n+]1ccccc1)NC2CC2 240690a_100000212008_200000086051 [0,0,0,1,0,1|2,0,0]=4 12684 B14R2.9593 O=C(C[n+]1ccccc1)NC2CC2 527a_100000212008_200000086051 [0,0,0,1,0,1|2,0,0]=4 12685 B14R2.9593 O=C(Cc1ccccc1)CC2CC2 1458a_100000738066_100015291786 [0,0,0,1,0,1|1,0,0]=3 12686 B14R2.9593 O=C(Cc1ccccn1)CC2CC2 1458a_100000233486_100000742324 [0,0,0,1,0,1|2,0,0]=4 12687 B14R2.9593 O=C(Cc1ccccn1)CC2CC2 1458a_100000738066_100000721315 [0,0,0,1,0,1|2,0,0]=4 12688 B14R2.9593 O=C(Cc1cccnc1)CC2CC2 1458a_100000737805_100000742324 [0,0,0,1,0,1|2,0,0]=4 12689 B14R2.9593 O=C(Cc1cccnc1)CC2CC2 1458a_100000738066_100000733263 [0,0,0,1,0,1|2,0,0]=4 12690 B14R2.9593 O=C(Cc1cccnc1)NC2CC2 240690a_100000212008_100000737805 [0,0,0,1,0,1|2,0,0]=4 12691 B14R2.9593 O=C(Cc1cccnc1)NC2CC2 527a_100000212008_100000737805 [0,0,0,1,0,1|2,0,0]=4 12692 B14R2.9593 O=C(Cc1ccncc1)CC2CC2 1458a_100000738066_100000705612 [0,0,0,1,0,1|2,0,0]=4 12693 B14R2.9593 O=C(Cc1ccncc1)NC2CC2 240690a_100000212008_100011201483 [0,0,0,1,0,1|2,0,0]=4 12694 B14R2.9593 O=C(Nc1ccccc1)NC2CC2 2430a_100000106764_100000212008 [0,0,0,1,0,1|1,0,0]=3 12695 B14R2.8 CCc1nc(no1)c2ccccc2 270196a_100000210280_100000210414 [0,1,0,1,0,0|1,0,1]=4 12696 B14R2.8 CCc1nc(no1)c2ccccc2 271570a_100011218836_100012003642 [0,1,0,1,0,0|1,0,1]=4 12697 B14R2.8 CCc1noc(n1)c2ccccc2 270196a_200000212204_100000185807 [0,1,0,1,0,0|1,0,1]=4 12698 B14R2.21 Brc1cc(ccn1)C2=CCCCO2 271570a_100010177797_100009814637 [0,1,0,1,0,0|2,0,0]=4 12699 B14R2.21 Brc1cccc(c1)C2=CCCCC2 271570a_100000062251_100000691529 [0,1,0,1,0,0|2,0,0]=4 12700 B14R2.21 Brc1cccc(c1)C2=CCCCO2 271570a_100010177797_100000691529 [0,1,0,1,0,0|1,0,0]=3 12701 B14R2.21 Brc1cccc(n1)C2=CCCCO2 271570a_100010177797_100000684672 [0,1,0,1,0,0|2,0,0]=4 12702 B14R2.21 Brc1cncc(c1)C2=CCCCO2 271570a_100010177797_100000728054 [0,1,0,1,0,0|2,0,0]=4 12703 B14R2.21 CN1CCO[C@H](C1)c2ccccc2 2230a_100009815478_200000210301 [0,1,0,1,0,0|1,0,1]=4 12704 B14R2.21 CN1CCO[C@H](C1)c2ccccc2 269982a_100009815478_200000210301 [0,1,0,1,0,0|1,0,1]=4 12705 B14R2.21 CN1CCO[C@H](C1)c2ccccc2 34a_100009815478_200000210301 [0,1,0,1,0,0|1,0,1]=4 12706 B14R2.21 C[n+]1cccc(c1)C2=CCCCO2 271570a_100010177797_100009996589 [0,1,0,1,0,0|2,0,0]=4 12707 B14R2.21 Cc1cc(ccn1)C2=CCCCO2 271570a_100010177797_100000758586 [0,1,0,1,0,0|2,0,0]=4 12708 B14R2.21 Cc1cccc(c1)C2=CCCCC2 271570a_100000062251_100011215228 [0,1,0,1,0,0|2,0,0]=4 12709 B14R2.21 Cc1cccc(c1)C2=CCCCO2 271570a_100010177797_100011215228 [0,1,0,1,0,0|1,0,0]=3 12710 B14R2.21 Cc1cccc(n1)C2=CCCCO2 271570a_100010177797_100000742759 [0,1,0,1,0,0|2,0,0]=4 12711 B14R2.21 Cc1ccnc(c1)C2=CCCCO2 271570a_100010177797_100000750283 [0,1,0,1,0,0|2,0,0]=4 12712 B14R2.21 Cc1cncc(c1)C2=CCCCO2 271570a_100010177797_100000760492 [0,1,0,1,0,0|2,0,0]=4 12713 B14R2.21 Clc1cc(ccn1)C2=CCCCO2 271570a_100010177797_100000035001 [0,1,0,1,0,0|2,0,0]=4 12714 B14R2.21 Clc1cccc(c1)C2=CCCCC2 271570a_100000062251_100000699651 [0,1,0,1,0,0|2,0,0]=4 12715 B14R2.21 Clc1cccc(c1)C2=CCCCO2 271570a_100010177797_100000699651 [0,1,0,1,0,0|1,0,0]=3 12716 B14R2.21 Clc1ccnc(c1)C2=CCCCO2 271570a_100010177797_100010167805 [0,1,0,1,0,0|2,0,0]=4 12717 B14R2.21 Clc1cncc(c1)C2=CCCCO2 271570a_100010177797_100000049639 [0,1,0,1,0,0|2,0,0]=4 12718 B14R2.21 Fc1cc(ccn1)C2=CCCCO2 271570a_100010177797_100009816116 [0,1,0,1,0,0|2,0,0]=4 12719 B14R2.21 Fc1cccc(c1)C2=CCCCC2 271570a_100000062251_100000685547 [0,1,0,1,0,0|2,0,0]=4 12720 B14R2.21 Fc1cccc(c1)C2=CCCCO2 271570a_100010177797_100000685547 [0,1,0,1,0,0|1,0,0]=3 12721 B14R2.21 Fc1cccc(n1)C2=CCCCO2 271570a_100010177797_100009815982 [0,1,0,1,0,0|2,0,0]=4 12722 B14R2.21 Fc1ccnc(c1)C2=CCCCO2 271570a_100010177797_100009817058 [0,1,0,1,0,0|2,0,0]=4 12723 B14R2.21 Fc1cncc(c1)C2=CCCCO2 271570a_100010177797_100000744099 [0,1,0,1,0,0|2,0,0]=4 12724 B14R2.21 Nc1cc(ccn1)C2=CCCCO2 271570a_100010177797_100000744379 [0,1,0,1,0,0|2,0,0]=4 12725 B14R2.21 Nc1cccc(c1)C2=CCCCC2 271570a_100000062251_100000210019 [0,1,0,1,0,0|2,0,0]=4 12726 B14R2.21 Nc1cccc(c1)C2=CCCCO2 271570a_100010177797_100000210019 [0,1,0,1,0,0|1,0,0]=3 12727 B14R2.21 Nc1cccc(n1)C2=CCCCO2 271570a_100010177797_100000740741 [0,1,0,1,0,0|2,0,0]=4 12728 B14R2.21 Nc1ccnc(c1)C2=CCCCO2 271570a_100010177797_100009814236 [0,1,0,1,0,0|2,0,0]=4 12729 B14R2.21 Nc1cncc(c1)C2=CCCCO2 271570a_100010177797_100000687067 [0,1,0,1,0,0|2,0,0]=4 12730 B14R2.21 O=c1cc(cc[nH]1)C2=CCCCO2 271570a_100010177797_100009816521 [0,1,0,1,0,0|2,0,0]=4 12731 B14R2.21 O=c1cccc([nH]1)C2=CCCCO2 271570a_100010177797_100000761760 [0,1,0,1,0,0|2,0,0]=4 12732 B14R2.21 Oc1cccc(c1)C2=CCCCC2 271570a_100000062251_100000211634 [0,1,0,1,0,0|2,0,0]=4 12733 B14R2.21 Oc1cccc(c1)C2=CCCCO2 271570a_100010177797_100000211634 [0,1,0,1,0,0|1,0,0]=3 12734 B14R2.21 Oc1cccc(c1)C2OCCCO2 271570a_203496583355_100000752065 [0,1,0,1,0,0|0,0,2]=4 12735 B14R2.21 Oc1ccnc(c1)C2=CCCCO2 271570a_100010177797_100000762945 [0,1,0,1,0,0|2,0,0]=4 12736 B14R2.21 Oc1cncc(c1)C2=CCCCO2 271570a_100010177797_100000754920 [0,1,0,1,0,0|2,0,0]=4 12737 B14R2.21 [13CH3]N1CCO[C@H](C1)c2ccccc2 2230a_100009815478_200025704644 [0,1,0,1,0,0|1,0,1]=4 12738 B14R2.21 [13CH3]N1CCO[C@H](C1)c2ccccc2 269982a_100009815478_200025704644 [0,1,0,1,0,0|1,0,1]=4 12739 B14R2.21 [13CH3]N1CCO[C@H](C1)c2ccccc2 34a_100009815478_200025704644 [0,1,0,1,0,0|1,0,1]=4 12740 B14R2.21 [O-][n+]1cccc(c1)C2=CCCCO2 271570a_100010177797_100009815978 [0,1,0,1,0,0|2,0,0]=4 12741 B14R2.21 [S]c1cccc(c1)C2=CCCCC2 271570a_100000062251_114929384022 [0,1,0,1,0,0|2,0,0]=4 12742 B14R2.21 [S]c1cccc(c1)C2=CCCCO2 271570a_100010177797_114929384022 [0,1,0,1,0,0|1,0,0]=3 12743 B14R2.335 CC1CCN1C(=O)c2ccccc2 11a_100000755817_100000185807 [0,1,0,1,0,0|1,0,0]=3 12744 B14R2.335 CC1CCN1C(=O)c2ccccc2 240690a_100000755817_100000185807 [0,1,0,1,0,0|1,0,0]=3 12745 B14R2.335 CC1CCN1C(=O)c2ccccc2 527a_100000755817_100000185807 [0,1,0,1,0,0|1,0,0]=3 12746 B14R2.335 O=C1CCC1C(=O)c2ccccc2 1458a_100000185807_100009892977 [0,1,0,1,0,0|1,0,1]=4 12747 B14R2.352 O=C(N[C@@H]1C[C@@H]1F)c2ccccc2 240690a_100015190264_100000185807 [0,1,0,1,0,0|1,0,0]=3 12748 B14R2.352 O=C(N[C@@H]1C[C@@H]1F)c2ccccc2 527a_100015190264_100000185807 [0,1,0,1,0,0|1,0,0]=3 12749 B14R2.352 O=C(N[C@@H]1C[C@H]1F)c2ccccc2 11a_100025746932_100000185807 [0,1,0,1,0,0|1,0,0]=3 12750 B14R2.352 O=C(N[C@@H]1C[C@H]1F)c2ccccc2 1626a_100025746932_100000185807 [0,1,0,1,0,0|1,0,0]=3 12751 B14R2.352 O=C(N[C@@H]1C[C@H]1F)c2ccccc2 240690a_100025746932_100000185807 [0,1,0,1,0,0|1,0,0]=3 12752 B14R2.352 O=C(N[C@@H]1C[C@H]1F)c2ccccc2 527a_100025746932_100000185807 [0,1,0,1,0,0|1,0,0]=3 12753 B14R2.794 CC(OC1CCC1)c2ccccc2 34a_100000748187_100000211855 [0,1,0,1,0,0|1,0,1]=4 12754 B14R2.794 CC(OC1CSC1)c2ccccc2 7a_100000072292_100000230085 [0,1,0,1,0,0|1,0,1]=4 12755 B14R2.794 C[C@@H](OC1CCC1)c2ccccc2 34a_100000761318_100000749161 [0,1,0,1,0,0|1,0,1]=4 12756 B14R2.794 C[C@@H](OC1COC1)c2ccccc2 34a_100000761318_100009818527 [0,1,0,1,0,0|1,0,1]=4 12757 B14R2.794 C[C@@H](OC1COC1)c2ccccc2 7a_100000761318_100009818527 [0,1,0,1,0,0|1,0,1]=4 12758 B14R2.794 O=C(CC1CCC1)c2ccccc2 1458a_100000185807_100000763275 [0,1,0,1,0,0|1,0,0]=3 12759 B14R2.794 O=C(CC1CCO1)c2ccccc2 1458a_100000185807_100000103362 [0,1,0,1,0,0|1,0,0]=3 12760 B14R2.794 O=C(CC1COC1)c2ccccc2 1458a_100000185807_100010264016 [0,1,0,1,0,0|1,0,0]=3 12761 B14R2.794 O=C(CN1CCC1)c2ccccc2 269982a_100000754969_100000211460 [0,1,0,1,0,0|1,0,0]=3 12762 B14R2.794 O=C(CN1CCC1)c2ccccn2 269982a_100000754969_100000027445 [0,1,0,1,0,0|2,0,0]=4 12763 B14R2.794 O=C(CN1CCC1)c2cccnc2 269982a_100000754969_100000757877 [0,1,0,1,0,0|2,0,0]=4 12764 B14R2.794 O=C(CN1CCC1)c2ccncc2 269982a_100000754969_100000027454 [0,1,0,1,0,0|2,0,0]=4 12765 B14R2.794 O=C(NC1CCC1)c2ccccc2 11a_100000749019_100000185807 [0,1,0,1,0,0|1,0,0]=3 12766 B14R2.794 O=C(NC1CCC1)c2ccccc2 1626a_100000749019_100000185807 [0,1,0,1,0,0|1,0,0]=3 12767 B14R2.794 O=C(NC1CCC1)c2ccccc2 240690a_100000749019_100000185807 [0,1,0,1,0,0|1,0,0]=3 12768 B14R2.794 O=C(NC1CCC1)c2ccccc2 527a_100000749019_100000185807 [0,1,0,1,0,0|1,0,0]=3 12769 B14R2.794 O=C(NC1COC1)c2ccccc2 11a_100016991112_100000185807 [0,1,0,1,0,0|1,0,0]=3 12770 B14R2.794 O=C(NC1COC1)c2ccccc2 1626a_100016991112_100000185807 [0,1,0,1,0,0|1,0,0]=3 12771 B14R2.794 O=C(NC1COC1)c2ccccc2 240690a_100016991112_100000185807 [0,1,0,1,0,0|1,0,0]=3 12772 B14R2.794 O=C(NC1COC1)c2ccccc2 527a_100016991112_100000185807 [0,1,0,1,0,0|1,0,0]=3 12773 B14R2.794 O=C(NC1CSC1)c2ccccc2 11a_100016994217_100000185807 [0,1,0,1,0,0|1,0,0]=3 12774 B14R2.794 O=C(NC1CSC1)c2ccccc2 1626a_100016994217_100000185807 [0,1,0,1,0,0|1,0,0]=3 12775 B14R2.794 O=C(NC1CSC1)c2ccccc2 240690a_100016994217_100000185807 [0,1,0,1,0,0|1,0,0]=3 12776 B14R2.794 O=C(NC1CSC1)c2ccccc2 527a_100016994217_100000185807 [0,1,0,1,0,0|1,0,0]=3 12777 B14R2.794 O=S(CN1CCC1)c2ccccc2 269982a_100000754969_100000031784 [0,1,0,1,0,0|2,0,0]=4 12778 B14R2.9595 CC(OC1(CC1)C)c2ccccc2 7a_100011725673_100000230085 [0,1,0,1,0,0|1,0,1]=4 12779 B14R2.9595 CC1(CC1)NC(=O)c2ccccc2 11a_100000757604_100000185807 [0,1,0,1,0,0|1,0,0]=3 12780 B14R2.9595 CC1(CC1)NC(=O)c2ccccc2 1626a_100000757604_100000185807 [0,1,0,1,0,0|1,0,0]=3 12781 B14R2.9595 CC1(CC1)NC(=O)c2ccccc2 240690a_100000757604_100000185807 [0,1,0,1,0,0|1,0,0]=3 12782 B14R2.9595 CC1(CC1)NC(=O)c2ccccc2 527a_100000757604_100000185807 [0,1,0,1,0,0|1,0,0]=3 12783 B14R2.9595 CC1(CO1)CC(=O)c2ccccc2 1458a_100000185807_100000760498 [0,1,0,1,0,0|2,0,0]=4 12784 B14R2.35816 CCC(C)OC1Cc2c1cccc2 7a_100000210228_100009813401 [0,1,0,1,0,0|1,0,1]=4 12785 B14R2.20 CC1COC(O1)c2ccc(cc2)O 271570a_203496583355_200010007801 [0,1,0,1,0,0|0,0,2]=4 12786 B14R2.68 Brc1ccc(cc1)C2=CCCCC2 271570a_100000062251_100000752885 [0,1,0,1,0,0|2,0,0]=4 12787 B14R2.68 Brc1ccc(cc1)C2=CCCCO2 271570a_100010177797_100000752885 [0,1,0,1,0,0|1,0,0]=3 12788 B14R2.68 Brc1ccc(cn1)C2=CCCCO2 271570a_100010177797_100009814638 [0,1,0,1,0,0|2,0,0]=4 12789 B14R2.68 Brc1ccc(nc1)C2=CCCCO2 271570a_100010177797_100000686858 [0,1,0,1,0,0|2,0,0]=4 12790 B14R2.68 CC1CC=C(CC1)c2ccccc2 271570a_100010240233_100000210277 [0,1,0,1,0,0|2,0,0]=4 12791 B14R2.68 Cc1ccc(cc1)C2=CCCCC2 271570a_100000062251_100000186775 [0,1,0,1,0,0|2,0,0]=4 12792 B14R2.68 Cc1ccc(cc1)C2=CCCCO2 271570a_100010177797_100000186775 [0,1,0,1,0,0|1,0,0]=3 12793 B14R2.68 Cc1ccc(cn1)C2=CCCCO2 271570a_100010177797_100000751577 [0,1,0,1,0,0|2,0,0]=4 12794 B14R2.68 Cc1ccc(nc1)C2=CCCCO2 271570a_100010177797_100000754016 [0,1,0,1,0,0|2,0,0]=4 12795 B14R2.68 Clc1ccc(cc1)C2=CCCCC2 271570a_100000062251_100000755918 [0,1,0,1,0,0|2,0,0]=4 12796 B14R2.68 Clc1ccc(cc1)C2=CCCCO2 271570a_100010177797_100000755918 [0,1,0,1,0,0|1,0,0]=3 12797 B14R2.68 Clc1ccc(cn1)C2=CCCCO2 271570a_100010177797_100000034144 [0,1,0,1,0,0|2,0,0]=4 12798 B14R2.68 Clc1ccc(nc1)C2=CCCCO2 271570a_100010177797_100011356976 [0,1,0,1,0,0|2,0,0]=4 12799 B14R2.68 Fc1ccc(cc1)C2=CCCCC2 271570a_100000062251_100000211213 [0,1,0,1,0,0|2,0,0]=4 12800 B14R2.68 Fc1ccc(cc1)C2=CCCCO2 271570a_100010177797_100000211213 [0,1,0,1,0,0|1,0,0]=3 12801 B14R2.68 Fc1ccc(cn1)C2=CCCCO2 271570a_100010177797_100000748661 [0,1,0,1,0,0|2,0,0]=4 12802 B14R2.68 Fc1ccc(nc1)C2=CCCCO2 271570a_100010177797_100000744514 [0,1,0,1,0,0|2,0,0]=4 12803 B14R2.68 Nc1ccc(cc1)C2=CCCCC2 271570a_100000062251_100000185761 [0,1,0,1,0,0|2,0,0]=4 12804 B14R2.68 Nc1ccc(cc1)C2=CCCCO2 271570a_100010177797_100000185761 [0,1,0,1,0,0|1,0,0]=3 12805 B14R2.68 Nc1ccc(cn1)C2=CCCCO2 271570a_100010177797_100000187370 [0,1,0,1,0,0|2,0,0]=4 12806 B14R2.68 Nc1ccc(nc1)C2=CCCCO2 271570a_100010177797_100000744251 [0,1,0,1,0,0|2,0,0]=4 12807 B14R2.68 O=c1ccc(c[nH]1)C2=CCCCO2 271570a_100010177797_100000212171 [0,1,0,1,0,0|2,0,0]=4 12808 B14R2.68 OC1CC=C(CC1)c2ccccc2 271570a_100010254553_100000210277 [0,1,0,1,0,0|2,0,0]=4 12809 B14R2.68 Oc1ccc(cc1)C2=CCCCC2 271570a_100000062251_100000185759 [0,1,0,1,0,0|2,0,0]=4 12810 B14R2.68 Oc1ccc(cc1)C2=CCCCC2 271570a_203496583355_100009811967 [0,1,0,1,0,0|2,0,0]=4 12811 B14R2.68 Oc1ccc(cc1)C2=CCCCO2 271570a_100010177797_100000185759 [0,1,0,1,0,0|1,0,0]=3 12812 B14R2.68 Oc1ccc(nc1)C2=CCCCO2 271570a_100010177797_100000685995 [0,1,0,1,0,0|2,0,0]=4 12813 B14R2.68 [O-][n+]1ccc(cc1)C2=CCCCO2 271570a_100010177797_100000039755 [0,1,0,1,0,0|2,0,0]=4 12814 B14R2.933 CC(OC1CC1)c2ccc(cc2)Br 34a_100000745893_100000211595 [0,1,0,1,0,0|1,0,1]=4 12815 B14R2.933 CC(OC1CC1)c2ccc(cc2)F 34a_100000181323_100000211595 [0,1,0,1,0,0|1,0,1]=4 12816 B14R2.933 CC(OC1CC1)c2ccc(cc2)N 34a_100011216399_100000211595 [0,1,0,1,0,0|1,0,1]=4 12817 B14R2.933 C[C@H](OC1CC1)c2ccc(cc2)Cl 34a_100011852131_100000211595 [0,1,0,1,0,0|1,0,1]=4 12818 B14R2.933 Cc1ccc(cc1)C(=O)CC2CC2 1458a_100000188618_100000742324 [0,1,0,1,0,0|1,0,0]=3 12819 B14R2.933 Cc1ccc(cc1)C(=O)CC2CO2 1458a_100000188618_100011216344 [0,1,0,1,0,0|2,0,0]=4 12820 B14R2.933 Cc1ccc(cc1)C(=O)CC2CS2 1458a_100000188618_100000031435 [0,1,0,1,0,0|2,0,0]=4 12821 B14R2.933 Cc1ccc(cc1)C(=O)C[C@@H]2CO2 1458a_100000188618_100000745022 [0,1,0,1,0,0|2,0,0]=4 12822 B14R2.933 Cc1ccc(cc1)C(=O)NC2CC2 1626a_100000212008_100000188618 [0,1,0,1,0,0|1,0,0]=3 12823 B14R2.933 Cc1ccc(cc1)C(=O)NC2CC2 240690a_100000212008_100000188618 [0,1,0,1,0,0|1,0,0]=3 12824 B14R2.933 Cc1ccc(cc1)C(=O)NC2CC2 527a_100000212008_100000188618 [0,1,0,1,0,0|1,0,0]=3 12825 B14R2.933 Cc1ccc(cc1)[C@@H](C)OC2CC2 34a_100000690690_100000211595 [0,1,0,1,0,0|1,0,1]=4 12826 B14R2.933 O=C(CC1CC1)c2ccc(cc2)Br 1458a_100000185839_100000742324 [0,1,0,1,0,0|1,0,0]=3 12827 B14R2.933 O=C(CC1CC1)c2ccc(cc2)Cl 1458a_100000210187_100000742324 [0,1,0,1,0,0|1,0,0]=3 12828 B14R2.933 O=C(CC1CC1)c2ccc(cc2)F 1458a_100000187176_100000742324 [0,1,0,1,0,0|1,0,0]=3 12829 B14R2.933 O=C(CC1CC1)c2ccc(cc2)I 1458a_100000187904_100000742324 [0,1,0,1,0,0|1,0,0]=3 12830 B14R2.933 O=C(CC1CC1)c2ccc(cc2)O 1458a_100000212099_100000742324 [0,1,0,1,0,0|1,0,0]=3 12831 B14R2.933 O=C(CC1CO1)c2ccc(cc2)Br 1458a_100000185839_100011216344 [0,1,0,1,0,0|2,0,0]=4 12832 B14R2.933 O=C(CC1CO1)c2ccc(cc2)Cl 1458a_100000210187_100011216344 [0,1,0,1,0,0|2,0,0]=4 12833 B14R2.933 O=C(CC1CO1)c2ccc(cc2)F 1458a_100000187176_100011216344 [0,1,0,1,0,0|2,0,0]=4 12834 B14R2.933 O=C(CC1CO1)c2ccc(cc2)I 1458a_100000187904_100011216344 [0,1,0,1,0,0|2,0,0]=4 12835 B14R2.933 O=C(CC1CO1)c2ccc(cc2)O 1458a_100000212099_100011216344 [0,1,0,1,0,0|2,0,0]=4 12836 B14R2.933 O=C(CC1CS1)c2ccc(cc2)Br 1458a_100000185839_100000031435 [0,1,0,1,0,0|2,0,0]=4 12837 B14R2.933 O=C(CC1CS1)c2ccc(cc2)Cl 1458a_100000210187_100000031435 [0,1,0,1,0,0|2,0,0]=4 12838 B14R2.933 O=C(CC1CS1)c2ccc(cc2)F 1458a_100000187176_100000031435 [0,1,0,1,0,0|2,0,0]=4 12839 B14R2.933 O=C(CC1CS1)c2ccc(cc2)I 1458a_100000187904_100000031435 [0,1,0,1,0,0|2,0,0]=4 12840 B14R2.933 O=C(CC1CS1)c2ccc(cc2)O 1458a_100000212099_100000031435 [0,1,0,1,0,0|2,0,0]=4 12841 B14R2.933 O=C(C[C@@H]1CO1)c2ccc(cc2)Br 1458a_100000185839_100000745022 [0,1,0,1,0,0|2,0,0]=4 12842 B14R2.933 O=C(C[C@@H]1CO1)c2ccc(cc2)Cl 1458a_100000210187_100000745022 [0,1,0,1,0,0|2,0,0]=4 12843 B14R2.933 O=C(C[C@@H]1CO1)c2ccc(cc2)F 1458a_100000187176_100000745022 [0,1,0,1,0,0|2,0,0]=4 12844 B14R2.933 O=C(C[C@@H]1CO1)c2ccc(cc2)I 1458a_100000187904_100000745022 [0,1,0,1,0,0|2,0,0]=4 12845 B14R2.933 O=C(C[C@@H]1CO1)c2ccc(cc2)O 1458a_100000212099_100000745022 [0,1,0,1,0,0|2,0,0]=4 12846 B14R2.933 O=C(NC1CC1)c2ccc(cc2)Br 1626a_100000212008_100000185839 [0,1,0,1,0,0|1,0,0]=3 12847 B14R2.933 O=C(NC1CC1)c2ccc(cc2)Br 240690a_100000212008_100000185839 [0,1,0,1,0,0|1,0,0]=3 12848 B14R2.933 O=C(NC1CC1)c2ccc(cc2)Br 527a_100000212008_100000185839 [0,1,0,1,0,0|1,0,0]=3 12849 B14R2.933 O=C(NC1CC1)c2ccc(cc2)Cl 1626a_100000212008_100000210187 [0,1,0,1,0,0|1,0,0]=3 12850 B14R2.933 O=C(NC1CC1)c2ccc(cc2)Cl 240690a_100000212008_100000210187 [0,1,0,1,0,0|1,0,0]=3 12851 B14R2.933 O=C(NC1CC1)c2ccc(cc2)Cl 527a_100000212008_100000210187 [0,1,0,1,0,0|1,0,0]=3 12852 B14R2.933 O=C(NC1CC1)c2ccc(cc2)F 1626a_100000212008_100000187176 [0,1,0,1,0,0|1,0,0]=3 12853 B14R2.933 O=C(NC1CC1)c2ccc(cc2)F 240690a_100000212008_100000187176 [0,1,0,1,0,0|1,0,0]=3 12854 B14R2.933 O=C(NC1CC1)c2ccc(cc2)F 527a_100000212008_100000187176 [0,1,0,1,0,0|1,0,0]=3 12855 B14R2.933 O=C(NC1CC1)c2ccc(cc2)I 1626a_100000212008_100000187904 [0,1,0,1,0,0|1,0,0]=3 12856 B14R2.933 O=C(NC1CC1)c2ccc(cc2)I 240690a_100000212008_100000187904 [0,1,0,1,0,0|1,0,0]=3 12857 B14R2.933 O=C(NC1CC1)c2ccc(cc2)I 527a_100000212008_100000187904 [0,1,0,1,0,0|1,0,0]=3 12858 B14R2.933 O=C(NC1CC1)c2ccc(cc2)O 240690a_100000212008_100000212099 [0,1,0,1,0,0|1,0,0]=3 12859 B14R2.933 O=C(NC1CC1)c2ccc(cc2)O 271570a_203496583355_100000155670 [0,1,0,1,0,0|1,0,0]=3 12860 B14R2.933 O=C(NC1CC1)c2ccc(cc2)O 527a_100000212008_100000212099 [0,1,0,1,0,0|1,0,0]=3 12861 B14R2.933 O=C(NC1CC1)c2ccc(cn2)O 271570a_203496583355_200011781258 [0,1,0,1,0,0|2,0,0]=4 12862 B14R2.933 O=C(NC1CC1)c2ccc(nc2)O 271570a_203496583355_100000160656 [0,1,0,1,0,0|2,0,0]=4 12863 B14R2.933 [2H]C(OC1CC1)c2ccc(cc2)F 34a_217856618577_100000211595 [0,1,0,1,0,0|1,0,1]=4 12864 B14R2.8719 O=C1CCCOc2c1ccc(c2)O 271570a_203496583355_100000735630 [0,1,0,1,0,0|2,0,0]=4 12865 B14R2.8719 O=C1NCCNc2c1ccc(c2)O 271570a_203496583355_200000725643 [0,1,0,1,0,0|2,0,0]=4 12866 B14R2.8719 O=C1NCCOc2c1ccc(c2)O 271570a_203496583355_200013358270 [0,1,0,1,0,0|2,0,0]=4 12867 B14R2.10606 Cc1ccc(cc1)C(=O)C2CCC2 1458a_100000188618_100000749161 [0,1,0,1,0,0|1,0,0]=3 12868 B14R2.10606 Cc1ccc(cc1)C(=O)C2COC2 1458a_100000188618_100000687716 [0,1,0,1,0,0|2,0,0]=4 12869 B14R2.10606 Cc1ccc(cc1)C(=O)N2CCC2 11a_100000754969_100000188618 [0,1,0,1,0,0|1,0,0]=3 12870 B14R2.10606 Cc1ccc(cc1)C(=O)N2CCC2 240690a_100000754969_100000188618 [0,1,0,1,0,0|1,0,0]=3 12871 B14R2.10606 Cc1ccc(cc1)C(=O)N2CCC2 527a_100000754969_100000188618 [0,1,0,1,0,0|1,0,0]=3 12872 B14R2.10606 O=C(c1ccc(cc1)Br)C2CCC2 1458a_100000185839_100000749161 [0,1,0,1,0,0|1,0,0]=3 12873 B14R2.10606 O=C(c1ccc(cc1)Br)C2COC2 1458a_100000185839_100000687716 [0,1,0,1,0,0|2,0,0]=4 12874 B14R2.10606 O=C(c1ccc(cc1)Br)N2CCC2 11a_100000754969_100000185839 [0,1,0,1,0,0|1,0,0]=3 12875 B14R2.10606 O=C(c1ccc(cc1)Br)N2CCC2 240690a_100000754969_100000185839 [0,1,0,1,0,0|1,0,0]=3 12876 B14R2.10606 O=C(c1ccc(cc1)Br)N2CCC2 527a_100000754969_100000185839 [0,1,0,1,0,0|1,0,0]=3 12877 B14R2.10606 O=C(c1ccc(cc1)Cl)C2CCC2 1458a_100000210187_100000749161 [0,1,0,1,0,0|1,0,0]=3 12878 B14R2.10606 O=C(c1ccc(cc1)Cl)C2COC2 1458a_100000210187_100000687716 [0,1,0,1,0,0|2,0,0]=4 12879 B14R2.10606 O=C(c1ccc(cc1)Cl)N2CCC2 11a_100000754969_100000210187 [0,1,0,1,0,0|1,0,0]=3 12880 B14R2.10606 O=C(c1ccc(cc1)Cl)N2CCC2 240690a_100000754969_100000210187 [0,1,0,1,0,0|1,0,0]=3 12881 B14R2.10606 O=C(c1ccc(cc1)Cl)N2CCC2 527a_100000754969_100000210187 [0,1,0,1,0,0|1,0,0]=3 12882 B14R2.10606 O=C(c1ccc(cc1)F)C2CCC2 1458a_100000187176_100000749161 [0,1,0,1,0,0|1,0,0]=3 12883 B14R2.10606 O=C(c1ccc(cc1)F)C2COC2 1458a_100000187176_100000687716 [0,1,0,1,0,0|2,0,0]=4 12884 B14R2.10606 O=C(c1ccc(cc1)F)N2CCC2 11a_100000754969_100000187176 [0,1,0,1,0,0|1,0,0]=3 12885 B14R2.10606 O=C(c1ccc(cc1)F)N2CCC2 240690a_100000754969_100000187176 [0,1,0,1,0,0|1,0,0]=3 12886 B14R2.10606 O=C(c1ccc(cc1)F)N2CCC2 527a_100000754969_100000187176 [0,1,0,1,0,0|1,0,0]=3 12887 B14R2.10606 O=C(c1ccc(cc1)I)C2CCC2 1458a_100000187904_100000749161 [0,1,0,1,0,0|1,0,0]=3 12888 B14R2.10606 O=C(c1ccc(cc1)I)C2COC2 1458a_100000187904_100000687716 [0,1,0,1,0,0|2,0,0]=4 12889 B14R2.10606 O=C(c1ccc(cc1)I)N2CCC2 11a_100000754969_100000187904 [0,1,0,1,0,0|1,0,0]=3 12890 B14R2.10606 O=C(c1ccc(cc1)I)N2CCC2 240690a_100000754969_100000187904 [0,1,0,1,0,0|1,0,0]=3 12891 B14R2.10606 O=C(c1ccc(cc1)I)N2CCC2 527a_100000754969_100000187904 [0,1,0,1,0,0|1,0,0]=3 12892 B14R2.10606 O=C(c1ccc(cc1)O)C2CCC2 1458a_100000212099_100000749161 [0,1,0,1,0,0|1,0,0]=3 12893 B14R2.10606 O=C(c1ccc(cc1)O)C2CCC2 271570a_203496583355_100011267736 [0,1,0,1,0,0|1,0,0]=3 12894 B14R2.10606 O=C(c1ccc(cc1)O)C2COC2 1458a_100000212099_100000687716 [0,1,0,1,0,0|2,0,0]=4 12895 B14R2.10606 O=C(c1ccc(cc1)O)N2CCC2 240690a_100000754969_100000212099 [0,1,0,1,0,0|1,0,0]=3 12896 B14R2.10606 O=C(c1ccc(cc1)O)N2CCC2 527a_100000754969_100000212099 [0,1,0,1,0,0|1,0,0]=3 12897 B14R2.5637 O=C1CCCCc2c1cc(cc2)O 271570a_203496583355_100011742502 [0,1,0,1,0,0|1,0,0]=3 12898 B14R2.5637 O=C1CCCNc2c1cc(cc2)O 271570a_203496583355_100010003710 [0,1,0,1,0,0|2,0,0]=4 12899 B14R2.5637 O=C1CCCOc2c1cc(cc2)O 271570a_203496583355_100000735629 [0,1,0,1,0,0|2,0,0]=4 12900 B14R2.9036 CC(OC1CC1)c2cccc(c2)Br 34a_100000246457_100000211595 [0,1,0,1,0,0|1,0,1]=4 12901 B14R2.9036 CC(OC1CC1)c2cccc(c2)F 34a_100000744526_100000211595 [0,1,0,1,0,0|1,0,1]=4 12902 B14R2.9036 CC(OC1CC1)c2cccc(c2)I 34a_100013085317_100000211595 [0,1,0,1,0,0|1,0,1]=4 12903 B14R2.9036 CC(OC1CC1)c2cccc(c2)N 34a_100011217120_100000211595 [0,1,0,1,0,0|1,0,1]=4 12904 B14R2.9036 C[C@@H](OC1CC1)c2cccc(c2)Cl 34a_100000747380_100000211595 [0,1,0,1,0,0|1,0,1]=4 12905 B14R2.9036 Cc1cccc(c1)C(=O)CC2CC2 1458a_100000189346_100000742324 [0,1,0,1,0,0|1,0,0]=3 12906 B14R2.9036 Cc1cccc(c1)C(=O)CC2CO2 1458a_100000189346_100011216344 [0,1,0,1,0,0|2,0,0]=4 12907 B14R2.9036 Cc1cccc(c1)C(=O)CC2CS2 1458a_100000189346_100000031435 [0,1,0,1,0,0|2,0,0]=4 12908 B14R2.9036 Cc1cccc(c1)C(=O)C[C@@H]2CO2 1458a_100000189346_100000745022 [0,1,0,1,0,0|2,0,0]=4 12909 B14R2.9036 Cc1cccc(c1)C(=O)NC2CC2 1626a_100000212008_100000189346 [0,1,0,1,0,0|1,0,0]=3 12910 B14R2.9036 Cc1cccc(c1)C(=O)NC2CC2 240690a_100000212008_100000189346 [0,1,0,1,0,0|1,0,0]=3 12911 B14R2.9036 Cc1cccc(c1)C(=O)NC2CC2 527a_100000212008_100000189346 [0,1,0,1,0,0|1,0,0]=3 12912 B14R2.9036 Cc1cccc(c1)C(C)OC2CC2 34a_100000757818_100000211595 [0,1,0,1,0,0|1,0,1]=4 12913 B14R2.9036 O=C(CC1CC1)c2cccc(c2)Br 1458a_100000210664_100000742324 [0,1,0,1,0,0|1,0,0]=3 12914 B14R2.9036 O=C(CC1CC1)c2cccc(c2)Cl 1458a_100000210390_100000742324 [0,1,0,1,0,0|1,0,0]=3 12915 B14R2.9036 O=C(CC1CC1)c2cccc(c2)F 1458a_100000210950_100000742324 [0,1,0,1,0,0|1,0,0]=3 12916 B14R2.9036 O=C(CC1CC1)c2cccc(c2)I 1458a_100000184098_100000742324 [0,1,0,1,0,0|1,0,0]=3 12917 B14R2.9036 O=C(CC1CC1)c2cccc(c2)O 1458a_100000183914_100000742324 [0,1,0,1,0,0|1,0,0]=3 12918 B14R2.9036 O=C(CC1CO1)c2cccc(c2)Br 1458a_100000210664_100011216344 [0,1,0,1,0,0|2,0,0]=4 12919 B14R2.9036 O=C(CC1CO1)c2cccc(c2)Cl 1458a_100000210390_100011216344 [0,1,0,1,0,0|2,0,0]=4 12920 B14R2.9036 O=C(CC1CO1)c2cccc(c2)F 1458a_100000210950_100011216344 [0,1,0,1,0,0|2,0,0]=4 12921 B14R2.9036 O=C(CC1CO1)c2cccc(c2)I 1458a_100000184098_100011216344 [0,1,0,1,0,0|2,0,0]=4 12922 B14R2.9036 O=C(CC1CO1)c2cccc(c2)O 1458a_100000183914_100011216344 [0,1,0,1,0,0|2,0,0]=4 12923 B14R2.9036 O=C(CC1CS1)c2cccc(c2)Br 1458a_100000210664_100000031435 [0,1,0,1,0,0|2,0,0]=4 12924 B14R2.9036 O=C(CC1CS1)c2cccc(c2)Cl 1458a_100000210390_100000031435 [0,1,0,1,0,0|2,0,0]=4 12925 B14R2.9036 O=C(CC1CS1)c2cccc(c2)F 1458a_100000210950_100000031435 [0,1,0,1,0,0|2,0,0]=4 12926 B14R2.9036 O=C(CC1CS1)c2cccc(c2)I 1458a_100000184098_100000031435 [0,1,0,1,0,0|2,0,0]=4 12927 B14R2.9036 O=C(CC1CS1)c2cccc(c2)O 1458a_100000183914_100000031435 [0,1,0,1,0,0|2,0,0]=4 12928 B14R2.9036 O=C(C[C@@H]1CO1)c2cccc(c2)Br 1458a_100000210664_100000745022 [0,1,0,1,0,0|2,0,0]=4 12929 B14R2.9036 O=C(C[C@@H]1CO1)c2cccc(c2)Cl 1458a_100000210390_100000745022 [0,1,0,1,0,0|2,0,0]=4 12930 B14R2.9036 O=C(C[C@@H]1CO1)c2cccc(c2)F 1458a_100000210950_100000745022 [0,1,0,1,0,0|2,0,0]=4 12931 B14R2.9036 O=C(C[C@@H]1CO1)c2cccc(c2)I 1458a_100000184098_100000745022 [0,1,0,1,0,0|2,0,0]=4 12932 B14R2.9036 O=C(C[C@@H]1CO1)c2cccc(c2)O 1458a_100000183914_100000745022 [0,1,0,1,0,0|2,0,0]=4 12933 B14R2.9036 O=C(NC1CC1)c2cccc(c2)Br 1626a_100000212008_100000210664 [0,1,0,1,0,0|1,0,0]=3 12934 B14R2.9036 O=C(NC1CC1)c2cccc(c2)Br 240690a_100000212008_100000210664 [0,1,0,1,0,0|1,0,0]=3 12935 B14R2.9036 O=C(NC1CC1)c2cccc(c2)Br 527a_100000212008_100000210664 [0,1,0,1,0,0|1,0,0]=3 12936 B14R2.9036 O=C(NC1CC1)c2cccc(c2)Cl 1626a_100000212008_100000210390 [0,1,0,1,0,0|1,0,0]=3 12937 B14R2.9036 O=C(NC1CC1)c2cccc(c2)Cl 240690a_100000212008_100000210390 [0,1,0,1,0,0|1,0,0]=3 12938 B14R2.9036 O=C(NC1CC1)c2cccc(c2)Cl 527a_100000212008_100000210390 [0,1,0,1,0,0|1,0,0]=3 12939 B14R2.9036 O=C(NC1CC1)c2cccc(c2)F 1626a_100000212008_100000210950 [0,1,0,1,0,0|1,0,0]=3 12940 B14R2.9036 O=C(NC1CC1)c2cccc(c2)F 240690a_100000212008_100000210950 [0,1,0,1,0,0|1,0,0]=3 12941 B14R2.9036 O=C(NC1CC1)c2cccc(c2)F 527a_100000212008_100000210950 [0,1,0,1,0,0|1,0,0]=3 12942 B14R2.9036 O=C(NC1CC1)c2cccc(c2)I 1626a_100000212008_100000184098 [0,1,0,1,0,0|1,0,0]=3 12943 B14R2.9036 O=C(NC1CC1)c2cccc(c2)I 240690a_100000212008_100000184098 [0,1,0,1,0,0|1,0,0]=3 12944 B14R2.9036 O=C(NC1CC1)c2cccc(c2)I 527a_100000212008_100000184098 [0,1,0,1,0,0|1,0,0]=3 12945 B14R2.9036 O=C(NC1CC1)c2cccc(c2)O 240690a_100000212008_100000183914 [0,1,0,1,0,0|1,0,0]=3 12946 B14R2.9036 O=C(NC1CC1)c2cccc(c2)O 271570a_203496583355_200000155674 [0,1,0,1,0,0|1,0,0]=3 12947 B14R2.9036 O=C(NC1CC1)c2cccc(c2)O 527a_100000212008_100000183914 [0,1,0,1,0,0|1,0,0]=3 12948 B14R2.9036 O=C(NC1CC1)c2ccnc(c2)O 271570a_203496583355_100000229829 [0,1,0,1,0,0|2,0,0]=4 12949 B14R2.9036 O=C(NC1CC1)c2cncc(c2)O 271570a_203496583355_200000155678 [0,1,0,1,0,0|2,0,0]=4 12950 B14R2.29767 Cc1cccc(c1)C(=O)C2CCC2 1458a_100000189346_100000749161 [0,1,0,1,0,0|1,0,0]=3 12951 B14R2.29767 Cc1cccc(c1)C(=O)C2COC2 1458a_100000189346_100000687716 [0,1,0,1,0,0|2,0,0]=4 12952 B14R2.29767 Cc1cccc(c1)C(=O)N2CCC2 11a_100000754969_100000189346 [0,1,0,1,0,0|1,0,0]=3 12953 B14R2.29767 Cc1cccc(c1)C(=O)N2CCC2 240690a_100000754969_100000189346 [0,1,0,1,0,0|1,0,0]=3 12954 B14R2.29767 Cc1cccc(c1)C(=O)N2CCC2 527a_100000754969_100000189346 [0,1,0,1,0,0|1,0,0]=3 12955 B14R2.29767 O=C(c1cccc(c1)Br)C2CCC2 1458a_100000210664_100000749161 [0,1,0,1,0,0|1,0,0]=3 12956 B14R2.29767 O=C(c1cccc(c1)Br)C2COC2 1458a_100000210664_100000687716 [0,1,0,1,0,0|2,0,0]=4 12957 B14R2.29767 O=C(c1cccc(c1)Br)N2CCC2 11a_100000754969_100000210664 [0,1,0,1,0,0|1,0,0]=3 12958 B14R2.29767 O=C(c1cccc(c1)Br)N2CCC2 240690a_100000754969_100000210664 [0,1,0,1,0,0|1,0,0]=3 12959 B14R2.29767 O=C(c1cccc(c1)Br)N2CCC2 527a_100000754969_100000210664 [0,1,0,1,0,0|1,0,0]=3 12960 B14R2.29767 O=C(c1cccc(c1)Cl)C2CCC2 1458a_100000210390_100000749161 [0,1,0,1,0,0|1,0,0]=3 12961 B14R2.29767 O=C(c1cccc(c1)Cl)C2COC2 1458a_100000210390_100000687716 [0,1,0,1,0,0|2,0,0]=4 12962 B14R2.29767 O=C(c1cccc(c1)Cl)N2CCC2 11a_100000754969_100000210390 [0,1,0,1,0,0|1,0,0]=3 12963 B14R2.29767 O=C(c1cccc(c1)Cl)N2CCC2 240690a_100000754969_100000210390 [0,1,0,1,0,0|1,0,0]=3 12964 B14R2.29767 O=C(c1cccc(c1)Cl)N2CCC2 527a_100000754969_100000210390 [0,1,0,1,0,0|1,0,0]=3 12965 B14R2.29767 O=C(c1cccc(c1)F)C2CCC2 1458a_100000210950_100000749161 [0,1,0,1,0,0|1,0,0]=3 12966 B14R2.29767 O=C(c1cccc(c1)F)C2COC2 1458a_100000210950_100000687716 [0,1,0,1,0,0|2,0,0]=4 12967 B14R2.29767 O=C(c1cccc(c1)F)N2CCC2 11a_100000754969_100000210950 [0,1,0,1,0,0|1,0,0]=3 12968 B14R2.29767 O=C(c1cccc(c1)F)N2CCC2 240690a_100000754969_100000210950 [0,1,0,1,0,0|1,0,0]=3 12969 B14R2.29767 O=C(c1cccc(c1)F)N2CCC2 527a_100000754969_100000210950 [0,1,0,1,0,0|1,0,0]=3 12970 B14R2.29767 O=C(c1cccc(c1)I)C2CCC2 1458a_100000184098_100000749161 [0,1,0,1,0,0|1,0,0]=3 12971 B14R2.29767 O=C(c1cccc(c1)I)C2COC2 1458a_100000184098_100000687716 [0,1,0,1,0,0|2,0,0]=4 12972 B14R2.29767 O=C(c1cccc(c1)I)N2CCC2 11a_100000754969_100000184098 [0,1,0,1,0,0|1,0,0]=3 12973 B14R2.29767 O=C(c1cccc(c1)I)N2CCC2 240690a_100000754969_100000184098 [0,1,0,1,0,0|1,0,0]=3 12974 B14R2.29767 O=C(c1cccc(c1)I)N2CCC2 527a_100000754969_100000184098 [0,1,0,1,0,0|1,0,0]=3 12975 B14R2.29767 O=C(c1cccc(c1)O)C2CCC2 1458a_100000183914_100000749161 [0,1,0,1,0,0|1,0,0]=3 12976 B14R2.29767 O=C(c1cccc(c1)O)C2COC2 1458a_100000183914_100000687716 [0,1,0,1,0,0|2,0,0]=4 12977 B14R2.29767 O=C(c1cccc(c1)O)N2CCC2 240690a_100000754969_100000183914 [0,1,0,1,0,0|1,0,0]=3 12978 B14R2.29767 O=C(c1cccc(c1)O)N2CCC2 527a_100000754969_100000183914 [0,1,0,1,0,0|1,0,0]=3 12979 B14R2.114 O=C(c1ccccc1)C2CCCC2 1458a_100000185807_100000179811 [0,1,0,1,0,0|1,0,0]=3 12980 B14R2.114 O=C(c1ccccc1)C2CCOC2 1458a_100000185807_100000690089 [0,1,0,1,0,0|1,0,0]=3 12981 B14R2.114 O=C(c1ccccc1)N2CC=CC2 1626a_100015195280_100000185807 [0,1,0,1,0,0|1,0,1]=4 12982 B14R2.114 O=C(c1ccccc1)N2CC=CC2 240690a_100015195280_100000185807 [0,1,0,1,0,0|1,0,1]=4 12983 B14R2.114 O=C(c1ccccc1)N2CCCC2 240690a_100000188435_100000185807 [0,1,0,1,0,0|1,0,0]=3 12984 B14R2.114 O=C(c1ccccc1)N2CCCC2 527a_100000188435_100000185807 [0,1,0,1,0,0|1,0,0]=3 12985 B14R2.114 O=C(c1ccccc1)N2CCSC2 11a_100011215254_100000185807 [0,1,0,1,0,0|1,0,0]=3 12986 B14R2.114 O=C(c1ccccc1)N2CCSC2 240690a_100011215254_100000185807 [0,1,0,1,0,0|1,0,0]=3 12987 B14R2.114 O=C(c1ccccc1)N2CCSC2 527a_100011215254_100000185807 [0,1,0,1,0,0|1,0,0]=3 12988 B14R2.510 CCNC1CC(=O)c2c1cccc2 2230a_100015525214_100010208147 [0,1,0,1,0,0|1,0,0]=3 12989 B14R2.510 CCNC1OC(=O)c2c1cccc2 2230a_100015525214_100009813457 [0,1,0,1,0,0|0,0,0]=2 12990 B14R2.510 CCSC1CC(=O)c2c1cccc2 62a_100000210202_100010208147 [0,1,0,1,0,0|1,0,0]=3 12991 B14R2.510 CCSC1CC(=O)c2c1cccc2 62a_100010208147_100000210202 [0,1,0,1,0,0|1,0,0]=3 12992 B14R2.510 CCSC1OC(=O)c2c1cccc2 62a_100000210202_100009813457 [0,1,0,1,0,0|0,0,0]=2 12993 B14R2.510 O=C1CC(c2c1cccc2)SCF 62a_100010208147_100015361967 [0,1,0,1,0,0|2,0,0]=4 12994 B14R2.510 O=C1CC(c2c1cccc2)SCF 62a_100015361967_100010208147 [0,1,0,1,0,0|2,0,0]=4 12995 B14R2.510 O=C1OC(c2c1cccc2)SCF 62a_100015361967_100009813457 [0,1,0,1,0,0|1,0,0]=3 12996 B14R2.792 CC(=NNC1CC1)c2ccccc2 4a_100000701032_100000185851 [0,1,0,1,0,0|2,0,0]=4 12997 B14R2.792 CC(COC1CC1)c2ccccc2 34a_100011215166_100000211595 [0,1,0,1,0,0|1,0,1]=4 12998 B14R2.792 CC(OCC1CC1)c2ccccc2 34a_100000211283_100000211855 [0,1,0,1,0,0|1,0,1]=4 12999 B14R2.792 CC(OC[C@@H]1CO1)c2ccccc2 34a_100000757423_100000211855 [0,1,0,1,0,0|1,0,1]=4 13000 B14R2.792 C[C@@H](OCC1CC1)c2ccccc2 34a_100000761318_100000742324 [0,1,0,1,0,0|1,0,1]=4 13001 B14R2.792 C[C@@H](OCC1CC1)c2ccccc2 7a_100000761318_100000742324 [0,1,0,1,0,0|1,0,1]=4 13002 B14R2.792 C[C@@H](OCC1CO1)c2ccccc2 34a_100000761318_102125554688 [0,1,0,1,0,0|1,0,1]=4 13003 B14R2.792 C[C@@H](OCC1CO1)c2ccccc2 7a_100000761318_102125554688 [0,1,0,1,0,0|1,0,1]=4 13004 B14R2.792 C[C@@H](OCC1CS1)c2ccccc2 7a_100000761318_100000031435 [0,1,0,1,0,0|1,0,1]=4 13005 B14R2.792 C[C@@H](OC[C@@H]1CO1)c2ccccc2 7a_100000761318_100000745022 [0,1,0,1,0,0|1,0,1]=4 13006 B14R2.792 N[C@H](COC1CC1)c2ccccc2 34a_100000751927_100000211595 [0,1,0,1,0,0|1,0,1]=4 13007 B14R2.792 O=C(CCC1CC1)c2ccccc2 1458a_100000185807_100000694398 [0,1,0,1,0,0|1,0,0]=3 13008 B14R2.792 O=C(CCC1CO1)c2ccccc2 1458a_100000185807_100000732470 [0,1,0,1,0,0|1,0,0]=3 13009 B14R2.792 O=C(CNC1CC1)c2ccccn2 34a_100000212008_100000027445 [0,1,0,1,0,0|2,0,0]=4 13010 B14R2.792 O=C(CSC1CC1)c2ccccc2 62a_100000211460_100000211595 [0,1,0,1,0,0|0,1,0]=3 13011 B14R2.792 O=C(CSC1CC1)c2ccccn2 62a_100000027445_100000211595 [0,1,0,1,0,0|1,1,0]=4 13012 B14R2.792 O=C(CSC1CC1)c2cccnc2 62a_100000757877_100000211595 [0,1,0,1,0,0|1,1,0]=4 13013 B14R2.792 O=C(CSC1CC1)c2ccncc2 62a_100000027454_100000211595 [0,1,0,1,0,0|1,1,0]=4 13014 B14R2.792 O=C(NCC1CC1)c2ccccc2 11a_100000735609_100000185807 [0,1,0,1,0,0|1,0,0]=3 13015 B14R2.792 O=C(NCC1CC1)c2ccccc2 1626a_100000735609_100000185807 [0,1,0,1,0,0|1,0,0]=3 13016 B14R2.792 O=C(NCC1CC1)c2ccccc2 240690a_100000735609_100000185807 [0,1,0,1,0,0|1,0,0]=3 13017 B14R2.792 O=C(NCC1CC1)c2ccccc2 527a_100000735609_100000185807 [0,1,0,1,0,0|1,0,0]=3 13018 B14R2.792 O=C(NNC1CC1)c2ccccc2 22a_100000701032_100000185807 [0,1,0,1,0,0|1,0,0]=3 13019 B14R2.1131 COC1CCC(=O)c2c1cccc2 7a_100000100557_200000210301 [0,1,0,1,0,0|1,0,0]=3 13020 B14R2.1131 [13CH3]OC1CCC(=O)c2c1cccc2 7a_100000100557_200025704644 [0,1,0,1,0,0|1,0,0]=3 13021 B14R2.16538 CCCCOC1Cc2c1cccc2 7a_100000210227_100009813401 [0,1,0,1,0,0|1,0,1]=4 13022 B14R2.16538 CCCNN=C1Cc2c1cccc2 4a_100000740057_100000051409 [0,1,0,1,0,0|2,0,0]=4 13023 B14R2.16538 CCCOCC1Cc2c1cccc2 34a_100012476685_100000210303 [0,1,0,1,0,0|1,0,1]=4 13024 B14R2.16538 CCCOCC1Cc2c1cccc2 7a_100012476685_100000210303 [0,1,0,1,0,0|1,0,1]=4 13025 B14R2.16538 CSCCOC1Cc2c1cccc2 7a_100000230434_100009813401 [0,1,0,1,0,0|1,0,1]=4 13026 B14R2.3 CCCCc1coc2c1cccc2 271570a_100020621405_100009812202 [0,1,0,1,0,0|1,0,1]=4 13027 B14R2.3 CCCCc1csc2c1cccc2 271570a_100020621405_100009813928 [0,1,0,1,0,0|1,1,0]=4 13028 B14R2.3 CCCCc1n[nH]c2c1cccc2 271570a_100020621405_100000050141 [0,1,0,1,0,0|2,0,0]=4 13029 B14R2.3 CCCOC1CCc2c1cccc2 34a_100000212247_100000210303 [0,1,0,1,0,0|1,0,1]=4 13030 B14R2.3 CCCOC1CCc2c1cccc2 7a_100000212247_100000210303 [0,1,0,1,0,0|1,0,1]=4 13031 B14R2.3 CCCOc1csc2c1cccc2 34a_100000077758_100000210303 [0,1,0,1,0,0|0,1,0]=3 13032 B14R2.3 CCCOc1csc2c1cccc2 7a_100000077758_100000210303 [0,1,0,1,0,0|0,1,0]=3 13033 B14R2.3 CCCSc1coc2c1cccc2 62a_100000210303_100009812202 [0,1,0,1,0,0|0,1,1]=4 13034 B14R2.3 CCCSc1csc2c1cccc2 62a_100000210303_100009813928 [0,1,0,1,0,0|0,2,0]=4 13035 B14R2.3 CCCSc1n[nH]c2c1cccc2 62a_100000210303_100000050141 [0,1,0,1,0,0|1,1,0]=4 13036 B14R2.3 CCCSc1noc2c1cccc2 62a_100000210303_200000703156 [0,1,0,1,0,0|0,1,1]=4 13037 B14R2.3 CCCSc1noc2c1cccc2 62a_200000703156_100000210303 [0,1,0,1,0,0|0,1,1]=4 13038 B14R2.3 CSCOc1csc2c1cccc2 34a_100000077758_100011218213 [0,1,0,1,0,0|1,1,0]=4 13039 B14R2.3 FCCOc1csc2c1cccc2 34a_100000077758_100011217306 [0,1,0,1,0,0|1,1,0]=4 13040 B14R2.3 FCCOc1csc2c1cccc2 7a_100000077758_100011217306 [0,1,0,1,0,0|1,1,0]=4 13041 B14R2.3 OCCOc1csc2c1cccc2 34a_100000077758_100000211926 [0,1,0,1,0,0|1,1,0]=4 13042 B14R2.3 OCCOc1csc2c1cccc2 7a_100000077758_100000211926 [0,1,0,1,0,0|1,1,0]=4 13043 B14R2.1256 C#CC(OC1CC1)c2ccccc2 34a_100011219616_100000211595 [0,1,0,1,0,0|1,0,1]=4 13044 B14R2.1256 C=CC(OC1CC1)c2ccccc2 34a_100011215659_100000211595 [0,1,0,1,0,0|1,0,1]=4 13045 B14R2.1256 CCC(OC1CC1)c2ccccc2 34a_100000698172_100000211595 [0,1,0,1,0,0|1,0,1]=4 13046 B14R2.1256 ClC[C@@H](OC1CC1)c2ccccc2 34a_100011933945_100000211595 [0,1,0,1,0,0|1,0,1]=4 13047 B14R2.1256 NCC(OC1CC1)c2ccccc2 34a_100000210709_100000211595 [0,1,0,1,0,0|1,0,1]=4 13048 B14R2.422 CC1CN(C1)C(=O)c2ccccc2 11a_100000702820_100000185807 [0,1,0,1,0,0|1,0,0]=3 13049 B14R2.422 CC1CN(C1)C(=O)c2ccccc2 240690a_100000702820_100000185807 [0,1,0,1,0,0|1,0,0]=3 13050 B14R2.422 CC1CN(C1)C(=O)c2ccccc2 527a_100000702820_100000185807 [0,1,0,1,0,0|1,0,0]=3 13051 B14R2.422 O=C(c1ccccc1)N2CC(C2)F 11a_100000690557_100000185807 [0,1,0,1,0,0|1,0,0]=3 13052 B14R2.422 O=C(c1ccccc1)N2CC(C2)F 240690a_100000690557_100000185807 [0,1,0,1,0,0|1,0,0]=3 13053 B14R2.422 O=C(c1ccccc1)N2CC(C2)F 527a_100000690557_100000185807 [0,1,0,1,0,0|1,0,0]=3 13054 B14R2.422 O=C(c1ccccc1)N2CC(C2)O 11a_100000749847_100000185807 [0,1,0,1,0,0|1,0,0]=3 13055 B14R2.422 O=C(c1ccccc1)N2CC(C2)O 240690a_100000749847_100000185807 [0,1,0,1,0,0|1,0,0]=3 13056 B14R2.422 O=C(c1ccccc1)N2CC(C2)O 527a_100000749847_100000185807 [0,1,0,1,0,0|1,0,0]=3 13057 B14R2.25733 CC(=O)C1CC(=O)c2c1cccc2 1458a_100000070787_100010208147 [0,1,0,1,0,0|1,0,1]=4 13058 B14R2.25733 CN(C)C1CC(=O)c2c1cccc2 2230a_100102631434_100010208147 [0,1,0,1,0,0|2,0,0]=4 13059 B14R2.25733 CN(C)C1CC(=O)c2c1cccc2 269982a_100102631434_100010208147 [0,1,0,1,0,0|2,0,0]=4 13060 B14R2.25733 CN(C)C1OC(=O)c2c1cccc2 2230a_100102631434_100009813457 [0,1,0,1,0,0|1,0,0]=3 13061 B14R2.25733 CN(C)C1OC(=O)c2c1cccc2 269982a_100102631434_100009813457 [0,1,0,1,0,0|1,0,0]=3 13062 B14R2.44 CCSC1Cc2ccccc2C1=O 62a_100000210202_100011218503 [0,1,0,1,0,0|2,0,0]=4 13063 B14R2.44 CCSC1Cc2ccccc2C1=O 62a_100011218503_100000210202 [0,1,0,1,0,0|2,0,0]=4 13064 B14R2.15694 CN(C(=O)c1ccccc1)C2CC2 11a_100000226674_100000185807 [0,1,0,1,0,0|1,0,0]=3 13065 B14R2.15694 CN(C(=O)c1ccccc1)C2CC2 1626a_100000226674_100000185807 [0,1,0,1,0,0|1,0,0]=3 13066 B14R2.15694 CN(C(=O)c1ccccc1)C2CC2 240690a_100000226674_100000185807 [0,1,0,1,0,0|1,0,0]=3 13067 B14R2.15694 CN(C(=O)c1ccccc1)C2CC2 527a_100000226674_100000185807 [0,1,0,1,0,0|1,0,0]=3 13068 B14R2.4562 O=S(=O)(NC1CC1)c2ccccc2 270084a_100000212008_100000210345 [0,1,0,1,0,0|2,0,0]=4 13069 B14R2.4562 O=S(=O)(NC1CC1)c2ccccc2 274078a_100000212008_100000210345 [0,1,0,1,0,0|2,0,0]=4 13070 B14R2.21287 O=S(=O)(c1ccccc1)N2CCC2 270084a_100000754969_100000210345 [0,1,0,1,0,0|2,0,0]=4 13071 B14R2.21287 O=S(=O)(c1ccccc1)N2CCC2 274078a_100000754969_100000210345 [0,1,0,1,0,0|2,0,0]=4 13072 B14R2.21287 O=S(=O)(c1ccccc1)N2CCC2 40a_100000754969_100000032697 [0,1,0,1,0,0|2,0,0]=4 13073 B14R2.4633 CC(OC1CC1)c2ccccc2Br 34a_100000702211_100000211595 [0,1,0,1,0,0|1,0,1]=4 13074 B14R2.4633 CC(OC1CC1)c2ccccc2Cl 34a_100000740796_100000211595 [0,1,0,1,0,0|1,0,1]=4 13075 B14R2.4633 CC(OC1CC1)c2ccccc2F 34a_100000697922_100000211595 [0,1,0,1,0,0|1,0,1]=4 13076 B14R2.4633 Cc1ccccc1C(=O)CC2CC2 1458a_100000212026_100000742324 [0,1,0,1,0,0|1,0,0]=3 13077 B14R2.4633 Cc1ccccc1C(=O)CC2CO2 1458a_100000212026_100011216344 [0,1,0,1,0,0|2,0,0]=4 13078 B14R2.4633 Cc1ccccc1C(=O)CC2CS2 1458a_100000212026_100000031435 [0,1,0,1,0,0|2,0,0]=4 13079 B14R2.4633 Cc1ccccc1C(=O)C[C@@H]2CO2 1458a_100000212026_100000745022 [0,1,0,1,0,0|2,0,0]=4 13080 B14R2.4633 Cc1ccccc1C(=O)NC2CC2 1626a_100000212008_100000212026 [0,1,0,1,0,0|1,0,0]=3 13081 B14R2.4633 Cc1ccccc1C(=O)NC2CC2 240690a_100000212008_100000212026 [0,1,0,1,0,0|1,0,0]=3 13082 B14R2.4633 Cc1ccccc1C(=O)NC2CC2 527a_100000212008_100000212026 [0,1,0,1,0,0|1,0,0]=3 13083 B14R2.4633 Cc1ccccc1C(C)OC2CC2 34a_100000742021_100000211595 [0,1,0,1,0,0|1,0,1]=4 13084 B14R2.4633 O=C(CC1CC1)c2ccccc2Br 1458a_100000188424_100000742324 [0,1,0,1,0,0|1,0,0]=3 13085 B14R2.4633 O=C(CC1CC1)c2ccccc2Cl 1458a_100000185844_100000742324 [0,1,0,1,0,0|1,0,0]=3 13086 B14R2.4633 O=C(CC1CC1)c2ccccc2F 1458a_100000188656_100000742324 [0,1,0,1,0,0|1,0,0]=3 13087 B14R2.4633 O=C(CC1CC1)c2ccccc2I 1458a_100000187884_100000742324 [0,1,0,1,0,0|1,0,0]=3 13088 B14R2.4633 O=C(CC1CC1)c2ccccc2O 1458a_100015234032_100000742324 [0,1,0,1,0,0|1,0,0]=3 13089 B14R2.4633 O=C(CC1CC1)c2ccccc2[O-] 1458a_100009911694_100000742324 [0,1,0,1,0,0|1,0,0]=3 13090 B14R2.4633 O=C(CC1CO1)c2ccccc2Br 1458a_100000188424_100011216344 [0,1,0,1,0,0|2,0,0]=4 13091 B14R2.4633 O=C(CC1CO1)c2ccccc2Cl 1458a_100000185844_100011216344 [0,1,0,1,0,0|2,0,0]=4 13092 B14R2.4633 O=C(CC1CO1)c2ccccc2F 1458a_100000188656_100011216344 [0,1,0,1,0,0|2,0,0]=4 13093 B14R2.4633 O=C(CC1CO1)c2ccccc2I 1458a_100000187884_100011216344 [0,1,0,1,0,0|2,0,0]=4 13094 B14R2.4633 O=C(CC1CO1)c2ccccc2O 1458a_100015234032_100011216344 [0,1,0,1,0,0|2,0,0]=4 13095 B14R2.4633 O=C(CC1CO1)c2ccccc2[O-] 1458a_100009911694_100011216344 [0,1,0,1,0,0|2,0,0]=4 13096 B14R2.4633 O=C(CC1CS1)c2ccccc2Br 1458a_100000188424_100000031435 [0,1,0,1,0,0|2,0,0]=4 13097 B14R2.4633 O=C(CC1CS1)c2ccccc2Cl 1458a_100000185844_100000031435 [0,1,0,1,0,0|2,0,0]=4 13098 B14R2.4633 O=C(CC1CS1)c2ccccc2F 1458a_100000188656_100000031435 [0,1,0,1,0,0|2,0,0]=4 13099 B14R2.4633 O=C(CC1CS1)c2ccccc2I 1458a_100000187884_100000031435 [0,1,0,1,0,0|2,0,0]=4 13100 B14R2.4633 O=C(CC1CS1)c2ccccc2O 1458a_100015234032_100000031435 [0,1,0,1,0,0|2,0,0]=4 13101 B14R2.4633 O=C(CC1CS1)c2ccccc2[O-] 1458a_100009911694_100000031435 [0,1,0,1,0,0|2,0,0]=4 13102 B14R2.4633 O=C(C[C@@H]1CO1)c2ccccc2Br 1458a_100000188424_100000745022 [0,1,0,1,0,0|2,0,0]=4 13103 B14R2.4633 O=C(C[C@@H]1CO1)c2ccccc2Cl 1458a_100000185844_100000745022 [0,1,0,1,0,0|2,0,0]=4 13104 B14R2.4633 O=C(C[C@@H]1CO1)c2ccccc2F 1458a_100000188656_100000745022 [0,1,0,1,0,0|2,0,0]=4 13105 B14R2.4633 O=C(C[C@@H]1CO1)c2ccccc2I 1458a_100000187884_100000745022 [0,1,0,1,0,0|2,0,0]=4 13106 B14R2.4633 O=C(C[C@@H]1CO1)c2ccccc2O 1458a_100015234032_100000745022 [0,1,0,1,0,0|2,0,0]=4 13107 B14R2.4633 O=C(C[C@@H]1CO1)c2ccccc2[O-] 1458a_100009911694_100000745022 [0,1,0,1,0,0|2,0,0]=4 13108 B14R2.4633 O=C(NC1CC1)c2ccccc2Br 1626a_100000212008_100000188424 [0,1,0,1,0,0|1,0,0]=3 13109 B14R2.4633 O=C(NC1CC1)c2ccccc2Br 240690a_100000212008_100000188424 [0,1,0,1,0,0|1,0,0]=3 13110 B14R2.4633 O=C(NC1CC1)c2ccccc2Br 527a_100000212008_100000188424 [0,1,0,1,0,0|1,0,0]=3 13111 B14R2.4633 O=C(NC1CC1)c2ccccc2Cl 1626a_100000212008_100000185844 [0,1,0,1,0,0|1,0,0]=3 13112 B14R2.4633 O=C(NC1CC1)c2ccccc2Cl 240690a_100000212008_100000185844 [0,1,0,1,0,0|1,0,0]=3 13113 B14R2.4633 O=C(NC1CC1)c2ccccc2Cl 527a_100000212008_100000185844 [0,1,0,1,0,0|1,0,0]=3 13114 B14R2.4633 O=C(NC1CC1)c2ccccc2F 1626a_100000212008_100000188656 [0,1,0,1,0,0|1,0,0]=3 13115 B14R2.4633 O=C(NC1CC1)c2ccccc2F 240690a_100000212008_100000188656 [0,1,0,1,0,0|1,0,0]=3 13116 B14R2.4633 O=C(NC1CC1)c2ccccc2F 527a_100000212008_100000188656 [0,1,0,1,0,0|1,0,0]=3 13117 B14R2.4633 O=C(NC1CC1)c2ccccc2I 1626a_100000212008_100000187884 [0,1,0,1,0,0|1,0,0]=3 13118 B14R2.4633 O=C(NC1CC1)c2ccccc2I 240690a_100000212008_100000187884 [0,1,0,1,0,0|1,0,0]=3 13119 B14R2.4633 O=C(NC1CC1)c2ccccc2I 527a_100000212008_100000187884 [0,1,0,1,0,0|1,0,0]=3 13120 B14R2.4633 O=C(NC1CC1)c2ccccc2O 240690a_100000212008_100015234032 [0,1,0,1,0,0|1,0,0]=3 13121 B14R2.4633 O=C(NC1CC1)c2ccccc2O 271570a_203496583355_200000155669 [0,1,0,1,0,0|1,0,0]=3 13122 B14R2.4633 O=C(NC1CC1)c2ccccc2[O-] 1626a_100000212008_100009911694 [0,1,0,1,0,0|1,0,0]=3 13123 B14R2.4633 O=C(NC1CC1)c2ccccc2[O-] 240690a_100000212008_100009911694 [0,1,0,1,0,0|1,0,0]=3 13124 B14R2.4633 O=C(NC1CC1)c2ccccc2[O-] 527a_100000212008_100009911694 [0,1,0,1,0,0|1,0,0]=3 13125 B14R2.4633 O=C(NC1CC1)c2cccnc2O 271570a_203496583355_100000160638 [0,1,0,1,0,0|2,0,0]=4 13126 B14R2.21545 Cc1ccccc1C(=O)C2CCC2 1458a_100000212026_100000749161 [0,1,0,1,0,0|1,0,0]=3 13127 B14R2.21545 Cc1ccccc1C(=O)C2COC2 1458a_100000212026_100000687716 [0,1,0,1,0,0|2,0,0]=4 13128 B14R2.21545 Cc1ccccc1C(=O)N2CCC2 11a_100000754969_100000212026 [0,1,0,1,0,0|1,0,0]=3 13129 B14R2.21545 Cc1ccccc1C(=O)N2CCC2 240690a_100000754969_100000212026 [0,1,0,1,0,0|1,0,0]=3 13130 B14R2.21545 Cc1ccccc1C(=O)N2CCC2 527a_100000754969_100000212026 [0,1,0,1,0,0|1,0,0]=3 13131 B14R2.21545 O=C(c1ccccc1Br)C2CCC2 1458a_100000188424_100000749161 [0,1,0,1,0,0|1,0,0]=3 13132 B14R2.21545 O=C(c1ccccc1Br)C2COC2 1458a_100000188424_100000687716 [0,1,0,1,0,0|2,0,0]=4 13133 B14R2.21545 O=C(c1ccccc1Br)N2CCC2 11a_100000754969_100000188424 [0,1,0,1,0,0|1,0,0]=3 13134 B14R2.21545 O=C(c1ccccc1Br)N2CCC2 240690a_100000754969_100000188424 [0,1,0,1,0,0|1,0,0]=3 13135 B14R2.21545 O=C(c1ccccc1Br)N2CCC2 527a_100000754969_100000188424 [0,1,0,1,0,0|1,0,0]=3 13136 B14R2.21545 O=C(c1ccccc1Cl)C2CCC2 1458a_100000185844_100000749161 [0,1,0,1,0,0|1,0,0]=3 13137 B14R2.21545 O=C(c1ccccc1Cl)C2COC2 1458a_100000185844_100000687716 [0,1,0,1,0,0|2,0,0]=4 13138 B14R2.21545 O=C(c1ccccc1Cl)N2CCC2 11a_100000754969_100000185844 [0,1,0,1,0,0|1,0,0]=3 13139 B14R2.21545 O=C(c1ccccc1Cl)N2CCC2 240690a_100000754969_100000185844 [0,1,0,1,0,0|1,0,0]=3 13140 B14R2.21545 O=C(c1ccccc1Cl)N2CCC2 527a_100000754969_100000185844 [0,1,0,1,0,0|1,0,0]=3 13141 B14R2.21545 O=C(c1ccccc1F)C2CCC2 1458a_100000188656_100000749161 [0,1,0,1,0,0|1,0,0]=3 13142 B14R2.21545 O=C(c1ccccc1F)C2COC2 1458a_100000188656_100000687716 [0,1,0,1,0,0|2,0,0]=4 13143 B14R2.21545 O=C(c1ccccc1F)N2CCC2 11a_100000754969_100000188656 [0,1,0,1,0,0|1,0,0]=3 13144 B14R2.21545 O=C(c1ccccc1F)N2CCC2 240690a_100000754969_100000188656 [0,1,0,1,0,0|1,0,0]=3 13145 B14R2.21545 O=C(c1ccccc1F)N2CCC2 527a_100000754969_100000188656 [0,1,0,1,0,0|1,0,0]=3 13146 B14R2.21545 O=C(c1ccccc1I)C2CCC2 1458a_100000187884_100000749161 [0,1,0,1,0,0|1,0,0]=3 13147 B14R2.21545 O=C(c1ccccc1I)C2COC2 1458a_100000187884_100000687716 [0,1,0,1,0,0|2,0,0]=4 13148 B14R2.21545 O=C(c1ccccc1I)N2CCC2 11a_100000754969_100000187884 [0,1,0,1,0,0|1,0,0]=3 13149 B14R2.21545 O=C(c1ccccc1I)N2CCC2 240690a_100000754969_100000187884 [0,1,0,1,0,0|1,0,0]=3 13150 B14R2.21545 O=C(c1ccccc1I)N2CCC2 527a_100000754969_100000187884 [0,1,0,1,0,0|1,0,0]=3 13151 B14R2.21545 O=C(c1ccccc1O)C2CCC2 1458a_100015234032_100000749161 [0,1,0,1,0,0|1,0,0]=3 13152 B14R2.21545 O=C(c1ccccc1O)C2COC2 1458a_100015234032_100000687716 [0,1,0,1,0,0|2,0,0]=4 13153 B14R2.21545 O=C(c1ccccc1O)N2CCC2 240690a_100000754969_100015234032 [0,1,0,1,0,0|1,0,0]=3 13154 B14R2.21545 O=C(c1ccccc1[O-])C2CCC2 1458a_100009911694_100000749161 [0,1,0,1,0,0|1,0,0]=3 13155 B14R2.21545 O=C(c1ccccc1[O-])C2COC2 1458a_100009911694_100000687716 [0,1,0,1,0,0|2,0,0]=4 13156 B14R2.21545 O=C(c1ccccc1[O-])N2CCC2 240690a_100000754969_100009911694 [0,1,0,1,0,0|1,0,0]=3 13157 B14R2.21545 O=C(c1ccccc1[O-])N2CCC2 527a_100000754969_100009911694 [0,1,0,1,0,0|1,0,0]=3 13158 B10R1.11 CNCC(=O)c1ccc[nH]1 7a_106832991635_200011262396 [1,0,0,0,1,0|2,0,0]=4 13159 B10R1.11 CNCC(=O)c1ccco1 7a_106832991635_100000211439 [1,0,0,0,1,0|2,0,0]=4 13160 B10R1.11 CNCC(=O)c1cccs1 2230a_106832991635_100000211436 [1,0,0,0,1,0|2,0,0]=4 13161 B10R1.11 CNCC(=O)c1cccs1 7a_106832991635_100000211436 [1,0,0,0,1,0|2,0,0]=4 13162 B10R1.11 CNCC(=O)c1ccsc1 2230a_106832991635_100011219462 [1,0,0,0,1,0|2,0,0]=4 13163 B10R1.11 CNCC(=O)c1ccsc1 34a_100102657272_100011219462 [1,0,0,0,1,0|2,0,0]=4 13164 B10R1.11 CNCC(=O)c1ccsc1 7a_106832991635_100011219462 [1,0,0,0,1,0|2,0,0]=4 13165 B10R1.11 COCC(=O)c1ccsc1 34a_100138415774_100011219462 [1,0,0,0,1,0|2,0,0]=4 13166 B10R1.11 CSCC(=O)c1ccc[nH]1 62a_200000210301_200011262396 [1,0,0,0,1,0|2,0,0]=4 13167 B10R1.11 CSCC(=O)c1ccc[nH]1 62a_200011262396_200000210301 [1,0,0,0,1,0|2,0,0]=4 13168 B10R1.11 CSCC(=O)c1ccco1 62a_100000211439_200000210301 [1,0,0,0,1,0|2,0,0]=4 13169 B10R1.11 CSCC(=O)c1ccco1 62a_200000210301_100000211439 [1,0,0,0,1,0|2,0,0]=4 13170 B10R1.11 CSCC(=O)c1cccs1 62a_100000211436_200000210301 [1,0,0,0,1,0|2,0,0]=4 13171 B10R1.11 CSCC(=O)c1cccs1 62a_200000210301_100000211436 [1,0,0,0,1,0|2,0,0]=4 13172 B10R1.11 CSCC(=O)c1ccsc1 62a_100011219462_200000210301 [1,0,0,0,1,0|2,0,0]=4 13173 B10R1.11 CSCC(=O)c1ccsc1 62a_200000210301_100011219462 [1,0,0,0,1,0|2,0,0]=4 13174 B10R1.11 [13CH3]SCC(=O)c1ccc[nH]1 62a_200011262396_200025704644 [1,0,0,0,1,0|2,0,0]=4 13175 B10R1.11 [13CH3]SCC(=O)c1ccc[nH]1 62a_200025704644_200011262396 [1,0,0,0,1,0|2,0,0]=4 13176 B10R1.11 [13CH3]SCC(=O)c1ccco1 62a_100000211439_200025704644 [1,0,0,0,1,0|2,0,0]=4 13177 B10R1.11 [13CH3]SCC(=O)c1ccco1 62a_200025704644_100000211439 [1,0,0,0,1,0|2,0,0]=4 13178 B10R1.11 [13CH3]SCC(=O)c1cccs1 62a_100000211436_200025704644 [1,0,0,0,1,0|2,0,0]=4 13179 B10R1.11 [13CH3]SCC(=O)c1cccs1 62a_200025704644_100000211436 [1,0,0,0,1,0|2,0,0]=4 13180 B10R1.11 [13CH3]SCC(=O)c1ccsc1 62a_100011219462_200025704644 [1,0,0,0,1,0|2,0,0]=4 13181 B10R1.11 [13CH3]SCC(=O)c1ccsc1 62a_200025704644_100011219462 [1,0,0,0,1,0|2,0,0]=4 13182 B10R1.21 CCCC=Cc1ccco1 271570a_100016258520_100009814098 [1,0,0,0,1,0|2,0,0]=4 13183 B10R1.21 CCCC=Cc1cccs1 271570a_100016258520_100011215356 [1,0,0,0,1,0|2,0,0]=4 13184 B10R1.21 CCCC=Cc1ccoc1 271570a_100016258520_100011215275 [1,0,0,0,1,0|2,0,0]=4 13185 B10R1.21 CCCC=Cc1ccsc1 271570a_100016258520_100000738268 [1,0,0,0,1,0|2,0,0]=4 13186 B10R1.21 CCCOCc1ccco1 34a_100000210059_100000210303 [1,0,0,0,1,0|1,0,1]=4 13187 B10R1.21 CCCOCc1cccs1 34a_100000211240_100000210303 [1,0,0,0,1,0|1,0,1]=4 13188 B10R1.21 CCCOCc1ccoc1 34a_100011215357_100000210303 [1,0,0,0,1,0|1,0,1]=4 13189 B10R1.21 CCCOCc1ccsc1 34a_100000210258_100011261437 [1,0,0,0,1,0|1,0,1]=4 13190 B10R1.21 CCCOCc1ccsc1 34a_100011215551_100000210303 [1,0,0,0,1,0|1,0,1]=4 13191 B14R1.156 C=C(CNc1ccccc1)OCOC 34a_100000106764_100000042856 [0,0,0,0,0,2|2,0,0]=4 13192 B14R1.156 C=C(COc1ccccc1)OCOC 34a_100000210340_100000042856 [0,0,0,0,0,2|2,0,0]=4 13193 B14R1.156 C=C(CSc1ccccc1)OCOC 62a_100000042856_100000041952 [0,0,0,0,0,2|2,0,0]=4 13194 B14R1.156 C=C(CSc1ccccc1)OCOC 62a_100000719477_100000042856 [0,0,0,0,0,2|2,0,0]=4 13195 B14R1.156 C=CCOC(=O)CNc1ccccc1 34a_100000106764_100000033060 [0,0,0,0,0,2|0,0,2]=4 13196 B14R1.156 C=CCOC(=O)COc1ccccc1 34a_100000210340_100000033060 [0,0,0,0,0,2|0,0,2]=4 13197 B14R1.156 C=CCOC(=O)COc1ccccc1 7a_100000210340_100000033060 [0,0,0,0,0,2|0,0,2]=4 13198 B14R1.156 C=CCOC(=O)CSc1ccccc1 62a_100000033060_100000041952 [0,0,0,0,0,2|0,0,2]=4 13199 B14R1.156 C=CCOC(=O)CSc1ccccc1 62a_100000719477_100000033060 [0,0,0,0,0,2|0,0,2]=4 13200 B14R1.156 CCC#CC(=O)CCc1ccccc1 1458a_100011827653_100000765856 [0,0,0,0,0,2|1,0,1]=4 13201 B14R1.156 CCC#CC(=O)NNc1ccccc1 22a_100015195140_100011827653 [0,0,0,0,0,2|1,0,1]=4 13202 B14R1.156 CCC=CC(=O)CCc1ccccc1 1458a_100000212282_100000765856 [0,0,0,0,0,2|1,0,1]=4 13203 B14R1.156 CCC=CC(=O)NCc1ccccc1 11a_100015324214_100000212282 [0,0,0,0,0,2|1,0,1]=4 13204 B14R1.156 CCC=CC(=O)NCc1ccccc1 1626a_100015324214_100000212282 [0,0,0,0,0,2|1,0,1]=4 13205 B14R1.156 CCC=CC(=O)NCc1ccccc1 240690a_100015324214_100000212282 [0,0,0,0,0,2|1,0,1]=4 13206 B14R1.156 CCC=CC(=O)NNc1ccccc1 22a_100015195140_100000212282 [0,0,0,0,0,2|1,0,1]=4 13207 B14R1.156 CCCCC(=NNc1ccccc1)C 4a_100015195140_100000210087 [0,0,0,0,0,2|2,0,0]=4 13208 B14R1.156 CCCCC(=O)C#Cc1ccccc1 1458a_100000736102_100000210211 [0,0,0,0,0,2|1,0,0]=3 13209 B14R1.156 CCCCC(=O)C#Cc1ccccn1 1458a_102125277312_100000210211 [0,0,0,0,0,2|2,0,0]=4 13210 B14R1.156 CCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210211 [0,0,0,0,0,2|1,0,0]=3 13211 B14R1.156 CCCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210211 [0,0,0,0,0,2|2,0,0]=4 13212 B14R1.156 CCCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000210211 [0,0,0,0,0,2|2,0,0]=4 13213 B14R1.156 CCCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000210211 [0,0,0,0,0,2|2,0,0]=4 13214 B14R1.156 CCCCC(=O)CCc1ccccc1 1458a_100000185753_100000210211 [0,0,0,0,0,2|1,0,0]=3 13215 B14R1.156 CCCCC(=O)CCc1ccccc1 1458a_100000210183_100000765856 [0,0,0,0,0,2|1,0,0]=3 13216 B14R1.156 CCCCC(=O)CCc1ccccn1 1458a_100000210183_100015183660 [0,0,0,0,0,2|2,0,0]=4 13217 B14R1.156 CCCCC(=O)CCc1ccccn1 1458a_100015195070_100000210211 [0,0,0,0,0,2|2,0,0]=4 13218 B14R1.156 CCCCC(=O)CCc1cccnc1 1458a_100000198484_100000210211 [0,0,0,0,0,2|2,0,0]=4 13219 B14R1.156 CCCCC(=O)CCc1cccnc1 1458a_100000210183_200011713674 [0,0,0,0,0,2|2,0,0]=4 13220 B14R1.156 CCCCC(=O)CCc1ccncc1 1458a_100000210183_100000723409 [0,0,0,0,0,2|2,0,0]=4 13221 B14R1.156 CCCCC(=O)CCc1ccncc1 1458a_100011225043_100000210211 [0,0,0,0,0,2|2,0,0]=4 13222 B14R1.156 CCCCC(=O)COc1ccccc1 1458a_100000186222_100000210211 [0,0,0,0,0,2|1,0,0]=3 13223 B14R1.156 CCCCC(=O)COc1ccccn1 1458a_100102699861_100000210211 [0,0,0,0,0,2|2,0,0]=4 13224 B14R1.156 CCCCC(=O)COc1cccnc1 1458a_100015207166_100000210211 [0,0,0,0,0,2|2,0,0]=4 13225 B14R1.156 CCCCC(=O)CSc1ccccc1 1458a_100000211596_100000210211 [0,0,0,0,0,2|1,0,0]=3 13226 B14R1.156 CCCCC(=O)CSc1ccccn1 1458a_100000156281_100000210211 [0,0,0,0,0,2|2,0,0]=4 13227 B14R1.156 CCCCC(=O)CSc1ccncc1 1458a_100000211328_100000210211 [0,0,0,0,0,2|2,0,0]=4 13228 B14R1.156 CCCCC(=O)NCc1ccccc1 11a_100015324214_100000210183 [0,0,0,0,0,2|1,0,0]=3 13229 B14R1.156 CCCCC(=O)NCc1ccccc1 1626a_100015324214_100000210183 [0,0,0,0,0,2|1,0,0]=3 13230 B14R1.156 CCCCC(=O)NCc1ccccc1 240690a_100015324214_100000210183 [0,0,0,0,0,2|1,0,0]=3 13231 B14R1.156 CCCCC(=O)NCc1ccccc1 527a_100015324214_100000210183 [0,0,0,0,0,2|1,0,0]=3 13232 B14R1.156 CCCCC(=O)NCc1ccccn1 11a_100000210449_100000210183 [0,0,0,0,0,2|2,0,0]=4 13233 B14R1.156 CCCCC(=O)NCc1ccccn1 1626a_100000210449_100000210183 [0,0,0,0,0,2|2,0,0]=4 13234 B14R1.156 CCCCC(=O)NCc1ccccn1 240690a_100000210449_100000210183 [0,0,0,0,0,2|2,0,0]=4 13235 B14R1.156 CCCCC(=O)NCc1ccccn1 527a_100000210449_100000210183 [0,0,0,0,0,2|2,0,0]=4 13236 B14R1.156 CCCCC(=O)NCc1cccnc1 11a_100000210453_100000210183 [0,0,0,0,0,2|2,0,0]=4 13237 B14R1.156 CCCCC(=O)NCc1cccnc1 240690a_100000210453_100000210183 [0,0,0,0,0,2|2,0,0]=4 13238 B14R1.156 CCCCC(=O)NCc1cccnc1 527a_100000210453_100000210183 [0,0,0,0,0,2|2,0,0]=4 13239 B14R1.156 CCCCC(=O)NCc1ccncc1 11a_100000210450_100000210183 [0,0,0,0,0,2|2,0,0]=4 13240 B14R1.156 CCCCC(=O)NCc1ccncc1 1626a_100000210450_100000210183 [0,0,0,0,0,2|2,0,0]=4 13241 B14R1.156 CCCCC(=O)NCc1ccncc1 240690a_100000210450_100000210183 [0,0,0,0,0,2|2,0,0]=4 13242 B14R1.156 CCCCC(=O)NCc1ccncc1 527a_100000210450_100000210183 [0,0,0,0,0,2|2,0,0]=4 13243 B14R1.156 CCCCC(=O)NNc1ccccc1 22a_100015195140_100000210183 [0,0,0,0,0,2|1,0,0]=3 13244 B14R1.156 CCCCC(=O)NNc1ccccn1 22a_100000183288_100000210183 [0,0,0,0,0,2|2,0,0]=4 13245 B14R1.156 CCCCC(=O)NNc1cccnc1 22a_100000728903_100000210183 [0,0,0,0,0,2|2,0,0]=4 13246 B14R1.156 CCCCC(=O)NNc1ccncc1 22a_100000698918_100000210183 [0,0,0,0,0,2|2,0,0]=4 13247 B14R1.156 CCCNC(=O)C#Cc1ccccc1 240690a_100020643023_100000736102 [0,0,0,0,0,2|1,0,0]=3 13248 B14R1.156 CCCNC(=O)C=Cc1ccccc1 11a_100020643023_100000210462 [0,0,0,0,0,2|1,0,0]=3 13249 B14R1.156 CCCNC(=O)C=Cc1ccccc1 1626a_100020643023_100000210462 [0,0,0,0,0,2|1,0,0]=3 13250 B14R1.156 CCCNC(=O)C=Cc1ccccn1 11a_100020643023_100000740811 [0,0,0,0,0,2|2,0,0]=4 13251 B14R1.156 CCCNC(=O)C=Cc1ccccn1 240690a_100020643023_100000740811 [0,0,0,0,0,2|2,0,0]=4 13252 B14R1.156 CCCNC(=O)C=Cc1cccnc1 11a_100020643023_100000735890 [0,0,0,0,0,2|2,0,0]=4 13253 B14R1.156 CCCNC(=O)C=Cc1cccnc1 240690a_100020643023_100000735890 [0,0,0,0,0,2|2,0,0]=4 13254 B14R1.156 CCCNC(=O)C=Cc1ccncc1 240690a_100020643023_100000682801 [0,0,0,0,0,2|2,0,0]=4 13255 B14R1.156 CCCNC(=O)CCc1ccccc1 11a_100020643023_100000185753 [0,0,0,0,0,2|1,0,0]=3 13256 B14R1.156 CCCNC(=O)CCc1ccccc1 1626a_100020643023_100000185753 [0,0,0,0,0,2|1,0,0]=3 13257 B14R1.156 CCCNC(=O)CCc1ccccc1 240690a_100020643023_100000185753 [0,0,0,0,0,2|1,0,0]=3 13258 B14R1.156 CCCNC(=O)CCc1ccccc1 527a_100020643023_100000185753 [0,0,0,0,0,2|1,0,0]=3 13259 B14R1.156 CCCNC(=O)CCc1ccccn1 11a_100020643023_100015195070 [0,0,0,0,0,2|2,0,0]=4 13260 B14R1.156 CCCNC(=O)CCc1ccccn1 240690a_100020643023_100015195070 [0,0,0,0,0,2|2,0,0]=4 13261 B14R1.156 CCCNC(=O)CCc1ccccn1 527a_100020643023_100015195070 [0,0,0,0,0,2|2,0,0]=4 13262 B14R1.156 CCCNC(=O)CCc1cccnc1 11a_100020643023_100000198484 [0,0,0,0,0,2|2,0,0]=4 13263 B14R1.156 CCCNC(=O)CCc1cccnc1 1626a_100020643023_100000198484 [0,0,0,0,0,2|2,0,0]=4 13264 B14R1.156 CCCNC(=O)CCc1cccnc1 240690a_100020643023_100000198484 [0,0,0,0,0,2|2,0,0]=4 13265 B14R1.156 CCCNC(=O)CCc1cccnc1 527a_100020643023_100000198484 [0,0,0,0,0,2|2,0,0]=4 13266 B14R1.156 CCCNC(=O)CCc1ccncc1 11a_100020643023_100011225043 [0,0,0,0,0,2|2,0,0]=4 13267 B14R1.156 CCCNC(=O)CCc1ccncc1 240690a_100020643023_100011225043 [0,0,0,0,0,2|2,0,0]=4 13268 B14R1.156 CCCNC(=O)CCc1ccncc1 527a_100020643023_100011225043 [0,0,0,0,0,2|2,0,0]=4 13269 B14R1.156 CCCNC(=O)CNc1ccccc1 34a_100000106764_100000183358 [0,0,0,0,0,2|1,0,0]=3 13270 B14R1.156 CCCNC(=O)COc1ccccc1 11a_100020643023_100000186222 [0,0,0,0,0,2|1,0,0]=3 13271 B14R1.156 CCCNC(=O)COc1ccccc1 1626a_100020643023_100000186222 [0,0,0,0,0,2|1,0,0]=3 13272 B14R1.156 CCCNC(=O)COc1ccccc1 240690a_100020643023_100000186222 [0,0,0,0,0,2|1,0,0]=3 13273 B14R1.156 CCCNC(=O)COc1ccccc1 34a_100000210340_100000183358 [0,0,0,0,0,2|1,0,0]=3 13274 B14R1.156 CCCNC(=O)COc1ccccc1 527a_100020643023_100000186222 [0,0,0,0,0,2|1,0,0]=3 13275 B14R1.156 CCCNC(=O)COc1ccccc1 7a_100000210340_100000183358 [0,0,0,0,0,2|1,0,0]=3 13276 B14R1.156 CCCNC(=O)COc1ccccn1 1626a_100020643023_100102699861 [0,0,0,0,0,2|2,0,0]=4 13277 B14R1.156 CCCNC(=O)COc1ccccn1 240690a_100020643023_100102699861 [0,0,0,0,0,2|2,0,0]=4 13278 B14R1.156 CCCNC(=O)COc1ccccn1 527a_100020643023_100102699861 [0,0,0,0,0,2|2,0,0]=4 13279 B14R1.156 CCCNC(=O)COc1cccnc1 11a_100020643023_100015207166 [0,0,0,0,0,2|2,0,0]=4 13280 B14R1.156 CCCNC(=O)COc1cccnc1 1626a_100020643023_100015207166 [0,0,0,0,0,2|2,0,0]=4 13281 B14R1.156 CCCNC(=O)COc1cccnc1 240690a_100020643023_100015207166 [0,0,0,0,0,2|2,0,0]=4 13282 B14R1.156 CCCNC(=O)COc1cccnc1 34a_100000210849_100000183358 [0,0,0,0,0,2|2,0,0]=4 13283 B14R1.156 CCCNC(=O)COc1cccnc1 527a_100020643023_100015207166 [0,0,0,0,0,2|2,0,0]=4 13284 B14R1.156 CCCNC(=O)COc1cccnc1 7a_100000210849_100000183358 [0,0,0,0,0,2|2,0,0]=4 13285 B14R1.156 CCCNC(=O)COc1ccncc1 34a_100000212176_100000183358 [0,0,0,0,0,2|2,0,0]=4 13286 B14R1.156 CCCNC(=O)CSc1ccccc1 11a_100020643023_100000211596 [0,0,0,0,0,2|1,0,0]=3 13287 B14R1.156 CCCNC(=O)CSc1ccccc1 1626a_100020643023_100000211596 [0,0,0,0,0,2|1,0,0]=3 13288 B14R1.156 CCCNC(=O)CSc1ccccc1 240690a_100020643023_100000211596 [0,0,0,0,0,2|1,0,0]=3 13289 B14R1.156 CCCNC(=O)CSc1ccccc1 527a_100020643023_100000211596 [0,0,0,0,0,2|1,0,0]=3 13290 B14R1.156 CCCNC(=O)CSc1ccccc1 62a_100000183358_100000041952 [0,0,0,0,0,2|1,0,0]=3 13291 B14R1.156 CCCNC(=O)CSc1ccccc1 62a_100000719477_100000183358 [0,0,0,0,0,2|1,0,0]=3 13292 B14R1.156 CCCNC(=O)CSc1ccccn1 11a_100020643023_100000156281 [0,0,0,0,0,2|2,0,0]=4 13293 B14R1.156 CCCNC(=O)CSc1ccccn1 240690a_100020643023_100000156281 [0,0,0,0,0,2|2,0,0]=4 13294 B14R1.156 CCCNC(=O)CSc1ccccn1 527a_100020643023_100000156281 [0,0,0,0,0,2|2,0,0]=4 13295 B14R1.156 CCCNC(=O)CSc1ccccn1 62a_100000183358_100011216584 [0,0,0,0,0,2|2,0,0]=4 13296 B14R1.156 CCCNC(=O)CSc1ccccn1 62a_100011216584_100000183358 [0,0,0,0,0,2|2,0,0]=4 13297 B14R1.156 CCCNC(=O)CSc1cccnc1 62a_100000183358_100000210063 [0,0,0,0,0,2|2,0,0]=4 13298 B14R1.156 CCCNC(=O)CSc1cccnc1 62a_100000210063_100000183358 [0,0,0,0,0,2|2,0,0]=4 13299 B14R1.156 CCCNC(=O)CSc1ccncc1 11a_100020643023_100000211328 [0,0,0,0,0,2|2,0,0]=4 13300 B14R1.156 CCCNC(=O)CSc1ccncc1 1626a_100020643023_100000211328 [0,0,0,0,0,2|2,0,0]=4 13301 B14R1.156 CCCNC(=O)CSc1ccncc1 240690a_100020643023_100000211328 [0,0,0,0,0,2|2,0,0]=4 13302 B14R1.156 CCCNC(=O)CSc1ccncc1 527a_100020643023_100000211328 [0,0,0,0,0,2|2,0,0]=4 13303 B14R1.156 CCCNC(=O)CSc1ccncc1 62a_100000183358_100000728582 [0,0,0,0,0,2|2,0,0]=4 13304 B14R1.156 CCCNC(=O)CSc1ccncc1 62a_100000728582_100000183358 [0,0,0,0,0,2|2,0,0]=4 13305 B14R1.156 CCCNC(=O)NCc1ccccc1 2708a_100015324214_100020643023 [0,0,0,0,0,2|1,0,0]=3 13306 B14R1.156 CCCNC(=O)NCc1ccccc1 2708a_100020643023_100015324214 [0,0,0,0,0,2|1,0,0]=3 13307 B14R1.156 CCCNC(=O)NCc1ccccc1 273464a_100015324214_100020643023 [0,0,0,0,0,2|1,0,0]=3 13308 B14R1.156 CCCNC(=O)NCc1ccccc1 273464a_100020643023_100015324214 [0,0,0,0,0,2|1,0,0]=3 13309 B14R1.156 CCCNC(=O)NCc1ccccc1 512a_100015324214_100020643023 [0,0,0,0,0,2|1,0,0]=3 13310 B14R1.156 CCCNC(=O)NCc1ccccc1 512a_100020643023_100015324214 [0,0,0,0,0,2|1,0,0]=3 13311 B14R1.156 CCCNC(=O)NCc1ccccn1 2708a_100000210449_100020643023 [0,0,0,0,0,2|2,0,0]=4 13312 B14R1.156 CCCNC(=O)NCc1ccccn1 2708a_100020643023_100000210449 [0,0,0,0,0,2|2,0,0]=4 13313 B14R1.156 CCCNC(=O)NCc1ccccn1 273464a_100000210449_100020643023 [0,0,0,0,0,2|2,0,0]=4 13314 B14R1.156 CCCNC(=O)NCc1ccccn1 273464a_100020643023_100000210449 [0,0,0,0,0,2|2,0,0]=4 13315 B14R1.156 CCCNC(=O)NCc1ccccn1 512a_100020643023_100000210449 [0,0,0,0,0,2|2,0,0]=4 13316 B14R1.156 CCCNC(=O)NCc1cccnc1 2708a_100000210453_100020643023 [0,0,0,0,0,2|2,0,0]=4 13317 B14R1.156 CCCNC(=O)NCc1cccnc1 2708a_100020643023_100000210453 [0,0,0,0,0,2|2,0,0]=4 13318 B14R1.156 CCCNC(=O)NCc1cccnc1 273464a_100000210453_100020643023 [0,0,0,0,0,2|2,0,0]=4 13319 B14R1.156 CCCNC(=O)NCc1cccnc1 273464a_100020643023_100000210453 [0,0,0,0,0,2|2,0,0]=4 13320 B14R1.156 CCCNC(=O)NCc1cccnc1 512a_100000210453_100020643023 [0,0,0,0,0,2|2,0,0]=4 13321 B14R1.156 CCCNC(=O)NCc1cccnc1 512a_100020643023_100000210453 [0,0,0,0,0,2|2,0,0]=4 13322 B14R1.156 CCCNC(=O)NCc1ccncc1 2708a_100000210450_100020643023 [0,0,0,0,0,2|2,0,0]=4 13323 B14R1.156 CCCNC(=O)NCc1ccncc1 2708a_100020643023_100000210450 [0,0,0,0,0,2|2,0,0]=4 13324 B14R1.156 CCCNC(=O)NCc1ccncc1 273464a_100000210450_100020643023 [0,0,0,0,0,2|2,0,0]=4 13325 B14R1.156 CCCNC(=O)NCc1ccncc1 273464a_100020643023_100000210450 [0,0,0,0,0,2|2,0,0]=4 13326 B14R1.156 CCCNC(=O)NCc1ccncc1 512a_100020643023_100000210450 [0,0,0,0,0,2|2,0,0]=4 13327 B14R1.156 CCCNC(=O)NNc1ccccc1 273464a_100020643023_100015195140 [0,0,0,0,0,2|1,0,0]=3 13328 B14R1.156 CCCNC(=O)NNc1ccccc1 512a_100020643023_100015195140 [0,0,0,0,0,2|1,0,0]=3 13329 B14R1.156 CCCNC(=O)NNc1ccccn1 273464a_100020643023_100000183288 [0,0,0,0,0,2|2,0,0]=4 13330 B14R1.156 CCCNC(=O)NNc1ccccn1 512a_100020643023_100000183288 [0,0,0,0,0,2|2,0,0]=4 13331 B14R1.156 CCCNC(=O)NNc1cccnc1 273464a_100020643023_100000728903 [0,0,0,0,0,2|2,0,0]=4 13332 B14R1.156 CCCNC(=O)NNc1cccnc1 512a_100020643023_100000728903 [0,0,0,0,0,2|2,0,0]=4 13333 B14R1.156 CCCNC(=O)NNc1ccncc1 273464a_100020643023_100000698918 [0,0,0,0,0,2|2,0,0]=4 13334 B14R1.156 CCCNC(=O)NNc1ccncc1 512a_100020643023_100000698918 [0,0,0,0,0,2|2,0,0]=4 13335 B14R1.156 CCCOC(=O)CNc1ccccc1 34a_100000106764_200011215008 [0,0,0,0,0,2|0,0,0]=2 13336 B14R1.156 CCCOC(=O)COc1ccccc1 34a_100000210340_200011215008 [0,0,0,0,0,2|0,0,0]=2 13337 B14R1.156 CCCOC(=O)COc1ccccc1 7a_100000210340_200011215008 [0,0,0,0,0,2|0,0,0]=2 13338 B14R1.156 CCCOC(=O)COc1cccnc1 34a_100000210849_200011215008 [0,0,0,0,0,2|1,0,0]=3 13339 B14R1.156 CCCOC(=O)COc1cccnc1 7a_100000210849_200011215008 [0,0,0,0,0,2|1,0,0]=3 13340 B14R1.156 CCCOC(=O)COc1ccncc1 34a_100000212176_200011215008 [0,0,0,0,0,2|1,0,0]=3 13341 B14R1.156 CCCOC(=O)COc1ccnnc1 34a_100015204005_200011215008 [0,0,0,0,0,2|2,0,0]=4 13342 B14R1.156 CCCOC(=O)COc1cncnc1 7a_100000754086_200011215008 [0,0,0,0,0,2|2,0,0]=4 13343 B14R1.156 CCCOC(=O)CSc1ccccc1 62a_100000719477_200011215008 [0,0,0,0,0,2|0,0,0]=2 13344 B14R1.156 CCCOC(=O)CSc1ccccc1 62a_200011215008_100000041952 [0,0,0,0,0,2|0,0,0]=2 13345 B14R1.156 CCCOC(=O)CSc1ccccn1 62a_100011216584_200011215008 [0,0,0,0,0,2|1,0,0]=3 13346 B14R1.156 CCCOC(=O)CSc1ccccn1 62a_200011215008_100011216584 [0,0,0,0,0,2|1,0,0]=3 13347 B14R1.156 CCCOC(=O)CSc1cccnc1 62a_100000210063_200011215008 [0,0,0,0,0,2|1,0,0]=3 13348 B14R1.156 CCCOC(=O)CSc1cccnc1 62a_200011215008_100000210063 [0,0,0,0,0,2|1,0,0]=3 13349 B14R1.156 CCCOC(=O)CSc1cccnn1 62a_100016991348_200011215008 [0,0,0,0,0,2|2,0,0]=4 13350 B14R1.156 CCCOC(=O)CSc1cccnn1 62a_200011215008_100016991348 [0,0,0,0,0,2|2,0,0]=4 13351 B14R1.156 CCCOC(=O)CSc1ccncc1 62a_100000728582_200011215008 [0,0,0,0,0,2|1,0,0]=3 13352 B14R1.156 CCCOC(=O)CSc1ccncc1 62a_200011215008_100000728582 [0,0,0,0,0,2|1,0,0]=3 13353 B14R1.156 CCCOC(=O)CSc1ccncn1 62a_100000703185_200011215008 [0,0,0,0,0,2|2,0,0]=4 13354 B14R1.156 CCCOC(=O)CSc1ccncn1 62a_200011215008_100000703185 [0,0,0,0,0,2|2,0,0]=4 13355 B14R1.156 CCCOC(=O)CSc1ccnnc1 62a_100000732662_200011215008 [0,0,0,0,0,2|2,0,0]=4 13356 B14R1.156 CCCOC(=O)CSc1ccnnc1 62a_200011215008_100000732662 [0,0,0,0,0,2|2,0,0]=4 13357 B14R1.156 CCCOC(=O)CSc1cnccn1 62a_100000211759_200011215008 [0,0,0,0,0,2|2,0,0]=4 13358 B14R1.156 CCCOC(=O)CSc1cnccn1 62a_200011215008_100000211759 [0,0,0,0,0,2|2,0,0]=4 13359 B14R1.156 CCCOC(=O)CSc1cncnc1 62a_100011206942_200011215008 [0,0,0,0,0,2|2,0,0]=4 13360 B14R1.156 CCCOC(=O)CSc1cncnc1 62a_200011215008_100011206942 [0,0,0,0,0,2|2,0,0]=4 13361 B14R1.156 CCCOC(=O)CSc1ncccn1 62a_100000211032_200011215008 [0,0,0,0,0,2|2,0,0]=4 13362 B14R1.156 CCCOC(=O)CSc1ncccn1 62a_200011215008_100000211032 [0,0,0,0,0,2|2,0,0]=4 13363 B14R1.156 CCCOC(C)C#Cc1ccccc1 34a_200000065209_100000210303 [0,0,0,0,0,2|1,0,1]=4 13364 B14R1.156 CCCOC(C)C#Cc1ccccc1 7a_200000065209_100000210303 [0,0,0,0,0,2|1,0,1]=4 13365 B14R1.156 CCCOC(C)COc1ccccc1 34a_100000210911_100000210303 [0,0,0,0,0,2|1,0,1]=4 13366 B14R1.156 CCCOC(C)COc1ccccc1 7a_100000210911_100000210303 [0,0,0,0,0,2|1,0,1]=4 13367 B14R1.156 CCCO[C@@H](C)CCc1ccccc1 34a_100009815974_100000210303 [0,0,0,0,0,2|1,0,1]=4 13368 B14R1.156 CCCO[C@@H](C)CCc1ccccc1 7a_100009815974_100000210303 [0,0,0,0,0,2|1,0,1]=4 13369 B14R1.156 CCNCC(=O)CCc1ccccc1 2230a_100015525214_100012361361 [0,0,0,0,0,2|2,0,0]=4 13370 B14R1.156 CCNCC(=O)NCc1ccccc1 2230a_100000739245_100000210202 [0,0,0,0,0,2|2,0,0]=4 13371 B14R1.156 CCNCC(=O)NCc1ccccc1 2230a_100015525214_100000183539 [0,0,0,0,0,2|2,0,0]=4 13372 B14R1.156 CCNCC(=O)OCc1ccccc1 2230a_100015525214_100000753625 [0,0,0,0,0,2|2,0,0]=4 13373 B14R1.156 CCNNC(=O)C#Cc1ccccc1 22a_100000756455_100000736102 [0,0,0,0,0,2|2,0,0]=4 13374 B14R1.156 CCNNC(=O)C=Cc1ccccc1 22a_100000756455_100000210462 [0,0,0,0,0,2|2,0,0]=4 13375 B14R1.156 CCNNC(=O)CCc1ccccc1 22a_100000756455_100000185753 [0,0,0,0,0,2|2,0,0]=4 13376 B14R1.156 CCNNC(=O)COc1ccccc1 22a_100000756455_100000186222 [0,0,0,0,0,2|2,0,0]=4 13377 B14R1.156 CCNNC(=O)CSc1ccccc1 22a_100000756455_100000211596 [0,0,0,0,0,2|2,0,0]=4 13378 B14R1.156 CCNNC(=O)NCc1ccccc1 273464a_100015324214_100000756455 [0,0,0,0,0,2|2,0,0]=4 13379 B14R1.156 CCNNC(=O)NCc1ccccc1 512a_100000756455_100015324214 [0,0,0,0,0,2|2,0,0]=4 13380 B14R1.156 CCNNC(=O)NCc1ccccc1 512a_100015324214_100000756455 [0,0,0,0,0,2|2,0,0]=4 13381 B14R1.156 CCNNC(=O)NNc1ccccc1 512a_100000756455_100015195140 [0,0,0,0,0,2|2,0,0]=4 13382 B14R1.156 CCOCC(=O)CCc1ccccc1 1458a_100000211967_100000765856 [0,0,0,0,0,2|2,0,0]=4 13383 B14R1.156 CCOCC(=O)CCc1ccccc1 34a_100121572206_100012361361 [0,0,0,0,0,2|2,0,0]=4 13384 B14R1.156 CCOCC(=O)NCc1ccccc1 11a_100015324214_100000211967 [0,0,0,0,0,2|2,0,0]=4 13385 B14R1.156 CCOCC(=O)NCc1ccccc1 1626a_100015324214_100000211967 [0,0,0,0,0,2|2,0,0]=4 13386 B14R1.156 CCOCC(=O)NCc1ccccc1 240690a_100015324214_100000211967 [0,0,0,0,0,2|2,0,0]=4 13387 B14R1.156 CCOCC(=O)NCc1ccccc1 34a_100121572206_100000183539 [0,0,0,0,0,2|2,0,0]=4 13388 B14R1.156 CCOCC(=O)NCc1ccccc1 527a_100015324214_100000211967 [0,0,0,0,0,2|2,0,0]=4 13389 B14R1.156 CCOCC(=O)NNc1ccccc1 22a_100015195140_100000211967 [0,0,0,0,0,2|2,0,0]=4 13390 B14R1.156 CCOCC(=O)OCc1ccccc1 34a_100121572206_100000753625 [0,0,0,0,0,2|2,0,0]=4 13391 B14R1.156 CCSCC(=O)CCc1ccccc1 1458a_100000230394_100000765856 [0,0,0,0,0,2|2,0,0]=4 13392 B14R1.156 CCSCC(=O)CCc1ccccc1 62a_100000210202_100012361361 [0,0,0,0,0,2|2,0,0]=4 13393 B14R1.156 CCSCC(=O)CCc1ccccc1 62a_100012361361_100000210202 [0,0,0,0,0,2|2,0,0]=4 13394 B14R1.156 CCSCC(=O)NCc1ccccc1 11a_100015324214_100000230394 [0,0,0,0,0,2|2,0,0]=4 13395 B14R1.156 CCSCC(=O)NCc1ccccc1 1626a_100015324214_100000230394 [0,0,0,0,0,2|2,0,0]=4 13396 B14R1.156 CCSCC(=O)NCc1ccccc1 240690a_100015324214_100000230394 [0,0,0,0,0,2|2,0,0]=4 13397 B14R1.156 CCSCC(=O)NCc1ccccc1 527a_100015324214_100000230394 [0,0,0,0,0,2|2,0,0]=4 13398 B14R1.156 CCSCC(=O)NCc1ccccc1 62a_100000183539_100000210202 [0,0,0,0,0,2|2,0,0]=4 13399 B14R1.156 CCSCC(=O)NCc1ccccc1 62a_100000210202_100000183539 [0,0,0,0,0,2|2,0,0]=4 13400 B14R1.156 CCSCC(=O)NNc1ccccc1 22a_100015195140_100000230394 [0,0,0,0,0,2|2,0,0]=4 13401 B14R1.156 CCSCC(=O)OCc1ccccc1 62a_100000210202_100000753625 [0,0,0,0,0,2|2,0,0]=4 13402 B14R1.156 CCSCC(=O)OCc1ccccc1 62a_100000753625_100000210202 [0,0,0,0,0,2|2,0,0]=4 13403 B14R1.156 CNCCC(=O)NCc1ccccc1 2230a_100025741942_200000210301 [0,0,0,0,0,2|2,0,0]=4 13404 B14R1.156 CNCCC(=O)NCc1ccccc1 34a_100025741942_200000210301 [0,0,0,0,0,2|2,0,0]=4 13405 B14R1.156 CNCCC(=O)OCc1ccccc1 2230a_106832991635_100009813219 [0,0,0,0,0,2|2,0,0]=4 13406 B14R1.156 CNCCC(=O)OCc1ccccc1 7a_106832991635_100009813219 [0,0,0,0,0,2|2,0,0]=4 13407 B14R1.156 COCCC(=O)C#Cc1ccccc1 1458a_100000736102_100000233755 [0,0,0,0,0,2|2,0,0]=4 13408 B14R1.156 COCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000233755 [0,0,0,0,0,2|2,0,0]=4 13409 B14R1.156 COCCC(=O)CCc1ccccc1 1458a_100000185753_100000233755 [0,0,0,0,0,2|2,0,0]=4 13410 B14R1.156 COCCC(=O)CCc1ccccc1 1458a_100000749529_100000765856 [0,0,0,0,0,2|2,0,0]=4 13411 B14R1.156 COCCC(=O)COc1ccccc1 1458a_100000186222_100000233755 [0,0,0,0,0,2|2,0,0]=4 13412 B14R1.156 COCCC(=O)CSc1ccccc1 1458a_100000211596_100000233755 [0,0,0,0,0,2|2,0,0]=4 13413 B14R1.156 COCCC(=O)NCc1ccccc1 11a_100015324214_100000749529 [0,0,0,0,0,2|2,0,0]=4 13414 B14R1.156 COCCC(=O)NCc1ccccc1 1626a_100015324214_100000749529 [0,0,0,0,0,2|2,0,0]=4 13415 B14R1.156 COCCC(=O)NCc1ccccc1 240690a_100015324214_100000749529 [0,0,0,0,0,2|2,0,0]=4 13416 B14R1.156 COCCC(=O)NCc1ccccc1 527a_100015324214_100000749529 [0,0,0,0,0,2|2,0,0]=4 13417 B14R1.156 COCCC(=O)NNc1ccccc1 22a_100015195140_100000749529 [0,0,0,0,0,2|2,0,0]=4 13418 B14R1.156 COCCC(=O)OCc1ccccc1 7a_100009831632_200000210301 [0,0,0,0,0,2|2,0,0]=4 13419 B14R1.156 CSCCC(=O)C#Cc1ccccc1 1458a_100000736102_100000751147 [0,0,0,0,0,2|2,0,0]=4 13420 B14R1.156 CSCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000751147 [0,0,0,0,0,2|2,0,0]=4 13421 B14R1.156 CSCCC(=O)CCc1ccccc1 1458a_100000174002_100000765856 [0,0,0,0,0,2|2,0,0]=4 13422 B14R1.156 CSCCC(=O)CCc1ccccc1 1458a_100000185753_100000751147 [0,0,0,0,0,2|2,0,0]=4 13423 B14R1.156 CSCCC(=O)COc1ccccc1 1458a_100000186222_100000751147 [0,0,0,0,0,2|2,0,0]=4 13424 B14R1.156 CSCCC(=O)CSc1ccccc1 1458a_100000211596_100000751147 [0,0,0,0,0,2|2,0,0]=4 13425 B14R1.156 CSCCC(=O)NCc1ccccc1 11a_100015324214_100000174002 [0,0,0,0,0,2|2,0,0]=4 13426 B14R1.156 CSCCC(=O)NCc1ccccc1 1626a_100015324214_100000174002 [0,0,0,0,0,2|2,0,0]=4 13427 B14R1.156 CSCCC(=O)NCc1ccccc1 240690a_100015324214_100000174002 [0,0,0,0,0,2|2,0,0]=4 13428 B14R1.156 CSCCC(=O)NCc1ccccc1 527a_100015324214_100000174002 [0,0,0,0,0,2|2,0,0]=4 13429 B14R1.156 CSCCC(=O)NNc1ccccc1 22a_100015195140_100000174002 [0,0,0,0,0,2|2,0,0]=4 13430 B14R1.156 CSCCC(=O)OCc1ccccc1 62a_100009813219_200000210301 [0,0,0,0,0,2|2,0,0]=4 13431 B14R1.156 CSCCC(=O)OCc1ccccc1 62a_200000210301_100009813219 [0,0,0,0,0,2|2,0,0]=4 13432 B14R1.156 O=C(C#Cc1ccccc1)CCCF 1458a_100000736102_100011934791 [0,0,0,0,0,2|2,0,0]=4 13433 B14R1.156 O=C(C#Cc1ccccc1)CCCO 1458a_100000736102_100011215043 [0,0,0,0,0,2|2,0,0]=4 13434 B14R1.156 O=C(C#Cc1ccccc1)NCCF 240690a_100000724931_100000736102 [0,0,0,0,0,2|2,0,0]=4 13435 B14R1.156 O=C(C#Cc1ccccc1)NCCO 240690a_100000210304_100000736102 [0,0,0,0,0,2|2,0,0]=4 13436 B14R1.156 O=C(C=Cc1ccccc1)CCCF 1458a_100000210462_100011934791 [0,0,0,0,0,2|2,0,0]=4 13437 B14R1.156 O=C(C=Cc1ccccc1)CCCO 1458a_100000210462_100011215043 [0,0,0,0,0,2|2,0,0]=4 13438 B14R1.156 O=C(C=Cc1ccccc1)NCCF 11a_100000724931_100000210462 [0,0,0,0,0,2|2,0,0]=4 13439 B14R1.156 O=C(C=Cc1ccccc1)NCCF 1626a_100000724931_100000210462 [0,0,0,0,0,2|2,0,0]=4 13440 B14R1.156 O=C(CCCF)CCc1ccccc1 1458a_100000185753_100011934791 [0,0,0,0,0,2|2,0,0]=4 13441 B14R1.156 O=C(CCCF)COc1ccccc1 1458a_100000186222_100011934791 [0,0,0,0,0,2|2,0,0]=4 13442 B14R1.156 O=C(CCCF)CSc1ccccc1 1458a_100000211596_100011934791 [0,0,0,0,0,2|2,0,0]=4 13443 B14R1.156 O=C(CCCO)CCc1ccccc1 1458a_100000185753_100011215043 [0,0,0,0,0,2|2,0,0]=4 13444 B14R1.156 O=C(CCCO)COc1ccccc1 1458a_100000186222_100011215043 [0,0,0,0,0,2|2,0,0]=4 13445 B14R1.156 O=C(CCCO)CSc1ccccc1 1458a_100000211596_100011215043 [0,0,0,0,0,2|2,0,0]=4 13446 B14R1.156 O=C(CCc1ccccc1)NCCF 11a_100000724931_100000185753 [0,0,0,0,0,2|2,0,0]=4 13447 B14R1.156 O=C(CCc1ccccc1)NCCF 1626a_100000724931_100000185753 [0,0,0,0,0,2|2,0,0]=4 13448 B14R1.156 O=C(CCc1ccccc1)NCCF 240690a_100000724931_100000185753 [0,0,0,0,0,2|2,0,0]=4 13449 B14R1.156 O=C(CCc1ccccc1)NCCF 527a_100000724931_100000185753 [0,0,0,0,0,2|2,0,0]=4 13450 B14R1.156 O=C(CCc1ccccc1)NCCO 240690a_100000210304_100000185753 [0,0,0,0,0,2|2,0,0]=4 13451 B14R1.156 O=C(CCc1ccccc1)NCCO 527a_100000210304_100000185753 [0,0,0,0,0,2|2,0,0]=4 13452 B14R1.156 O=C(COc1ccccc1)NCCF 11a_100000724931_100000186222 [0,0,0,0,0,2|2,0,0]=4 13453 B14R1.156 O=C(COc1ccccc1)NCCF 1626a_100000724931_100000186222 [0,0,0,0,0,2|2,0,0]=4 13454 B14R1.156 O=C(COc1ccccc1)NCCF 240690a_100000724931_100000186222 [0,0,0,0,0,2|2,0,0]=4 13455 B14R1.156 O=C(COc1ccccc1)NCCF 527a_100000724931_100000186222 [0,0,0,0,0,2|2,0,0]=4 13456 B14R1.156 O=C(COc1ccccc1)NCCO 240690a_100000210304_100000186222 [0,0,0,0,0,2|2,0,0]=4 13457 B14R1.156 O=C(COc1ccccc1)NCCO 527a_100000210304_100000186222 [0,0,0,0,0,2|2,0,0]=4 13458 B14R1.156 O=C(CSc1ccccc1)NCCF 11a_100000724931_100000211596 [0,0,0,0,0,2|2,0,0]=4 13459 B14R1.156 O=C(CSc1ccccc1)NCCF 1626a_100000724931_100000211596 [0,0,0,0,0,2|2,0,0]=4 13460 B14R1.156 O=C(CSc1ccccc1)NCCF 240690a_100000724931_100000211596 [0,0,0,0,0,2|2,0,0]=4 13461 B14R1.156 O=C(CSc1ccccc1)NCCF 527a_100000724931_100000211596 [0,0,0,0,0,2|2,0,0]=4 13462 B14R1.156 O=C(CSc1ccccc1)NCCO 240690a_100000210304_100000211596 [0,0,0,0,0,2|2,0,0]=4 13463 B14R1.156 O=C(CSc1ccccc1)NCCO 527a_100000210304_100000211596 [0,0,0,0,0,2|2,0,0]=4 13464 B14R1.156 O=C(NCCF)NCc1ccccc1 2708a_100015324214_100000724931 [0,0,0,0,0,2|2,0,0]=4 13465 B14R1.156 O=C(NCCF)NCc1ccccc1 273464a_100000724931_100015324214 [0,0,0,0,0,2|2,0,0]=4 13466 B14R1.156 O=C(NCCF)NCc1ccccc1 273464a_100015324214_100000724931 [0,0,0,0,0,2|2,0,0]=4 13467 B14R1.156 O=C(NCCF)NCc1ccccc1 512a_100015324214_100000724931 [0,0,0,0,0,2|2,0,0]=4 13468 B14R1.156 O=C(NCCF)NNc1ccccc1 273464a_100000724931_100015195140 [0,0,0,0,0,2|2,0,0]=4 13469 B14R1.156 O=C(NCCO)NCc1ccccc1 2708a_100015324214_100000210304 [0,0,0,0,0,2|2,0,0]=4 13470 B14R1.156 O=C(NCCO)NCc1ccccc1 273464a_100000210304_100015324214 [0,0,0,0,0,2|2,0,0]=4 13471 B14R1.156 O=C(NCCO)NCc1ccccc1 273464a_100015324214_100000210304 [0,0,0,0,0,2|2,0,0]=4 13472 B14R1.156 O=C(NCCO)NCc1ccccc1 512a_100015324214_100000210304 [0,0,0,0,0,2|2,0,0]=4 13473 B14R1.156 O=C(NCCO)NNc1ccccc1 273464a_100000210304_100015195140 [0,0,0,0,0,2|2,0,0]=4 13474 B14R1.156 [13CH3]NCCC(=O)NCc1ccccc1 2230a_100025741942_200025704644 [0,0,0,0,0,2|2,0,0]=4 13475 B14R1.156 [13CH3]NCCC(=O)NCc1ccccc1 34a_100025741942_200025704644 [0,0,0,0,0,2|2,0,0]=4 13476 B14R1.156 [13CH3]OCCC(=O)OCc1ccccc1 7a_100009831632_200025704644 [0,0,0,0,0,2|2,0,0]=4 13477 B14R1.156 [13CH3]SCCC(=O)OCc1ccccc1 62a_100009813219_200025704644 [0,0,0,0,0,2|2,0,0]=4 13478 B14R1.156 [13CH3]SCCC(=O)OCc1ccccc1 62a_200025704644_100009813219 [0,0,0,0,0,2|2,0,0]=4