0 B7R0.1 C/C=C/C=C/COC 34a_100016283227_200000210301 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.1 C/C=C/C=C/CO[13CH3] 34a_100016283227_200025704644 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.1 C/C=C/CNCCO 34a_100016990907_100102629194 [0,0,0,0,0,0|1,0,3]=4 3 B7R0.1 C/C=C/COCCO 34a_100016270725_100000211926 [0,0,0,0,0,0|1,0,3]=4 4 B7R0.1 C/C=C/CSCCO 62a_100000211926_100102629194 [0,0,0,0,0,0|1,0,3]=4 5 B7R0.1 C/C=C/CSCCO 62a_100102629194_100000211926 [0,0,0,0,0,0|1,0,3]=4 6 B7R0.1 CC/C=C\CCNC 2230a_106832991635_100015370543 [0,0,0,0,0,0|2,0,2]=4 7 B7R0.1 CC/C=C\CCNC 34a_100102657272_100015370543 [0,0,0,0,0,0|2,0,2]=4 8 B7R0.1 CC/C=C\CCNC 7a_106832991635_100015370543 [0,0,0,0,0,0|2,0,2]=4 9 B7R0.1 CC/C=C\CCOC 34a_100016288707_200000210301 [0,0,0,0,0,0|2,0,2]=4 10 B7R0.1 CC/C=C\CCOC 34a_100138415774_100015370543 [0,0,0,0,0,0|2,0,2]=4 11 B7R0.1 CC/C=C\CCOC 7a_100016288707_200000210301 [0,0,0,0,0,0|2,0,2]=4 12 B7R0.1 CC/C=C\CCO[13CH3] 34a_100016288707_200025704644 [0,0,0,0,0,0|2,0,2]=4 13 B7R0.1 CC/C=C\CCO[13CH3] 7a_100016288707_200025704644 [0,0,0,0,0,0|2,0,2]=4 14 B7R0.1 CC/C=C\CCSC 62a_100015370543_200000210301 [0,0,0,0,0,0|2,0,2]=4 15 B7R0.1 CC/C=C\CCSC 62a_200000210301_100015370543 [0,0,0,0,0,0|2,0,2]=4 16 B7R0.1 CC/C=C\CCS[13CH3] 62a_100015370543_200025704644 [0,0,0,0,0,0|2,0,2]=4 17 B7R0.1 CC/C=C\CCS[13CH3] 62a_200025704644_100015370543 [0,0,0,0,0,0|2,0,2]=4 18 B7R0.1 CC/C=C\CNCC 2230a_100015525214_100103147603 [0,0,0,0,0,0|2,0,1]=3 19 B7R0.1 CC/C=C\COCC 34a_100016268518_100000210202 [0,0,0,0,0,0|2,0,1]=3 20 B7R0.1 CC/C=C\COCC 34a_100121572206_100103147603 [0,0,0,0,0,0|2,0,1]=3 21 B7R0.1 CC/C=C\COCF 34a_100016268518_100015361967 [0,0,0,0,0,0|2,0,1]=3 22 B7R0.1 CC/C=C\CSCC 62a_100000210202_100103147603 [0,0,0,0,0,0|2,0,1]=3 23 B7R0.1 CC/C=C\CSCC 62a_100103147603_100000210202 [0,0,0,0,0,0|2,0,1]=3 24 B7R0.1 CC/C=C\CSCF 62a_100015361967_100103147603 [0,0,0,0,0,0|2,0,1]=3 25 B7R0.1 CC/C=C\CSCF 62a_100103147603_100015361967 [0,0,0,0,0,0|2,0,1]=3 26 B7R0.1 CC=CCNCCO 2230a_100016997473_100000070051 [0,0,0,0,0,0|1,0,3]=4 27 B7R0.1 CC=CCNCCO 34a_100016990907_100000070051 [0,0,0,0,0,0|1,0,3]=4 28 B7R0.1 CC=CCSCCO 62a_100000070051_100000211926 [0,0,0,0,0,0|1,0,3]=4 29 B7R0.1 CC=CCSCCO 62a_100000211926_100000070051 [0,0,0,0,0,0|1,0,3]=4 30 B7R0.1 CCC/C=C/COC 34a_100016278788_200000210301 [0,0,0,0,0,0|2,0,2]=4 31 B7R0.1 CCC/C=C/COC 7a_100016278788_200000210301 [0,0,0,0,0,0|2,0,2]=4 32 B7R0.1 CCC/C=C/CO[13CH3] 34a_100016278788_200025704644 [0,0,0,0,0,0|2,0,2]=4 33 B7R0.1 CCC/C=C/CO[13CH3] 7a_100016278788_200025704644 [0,0,0,0,0,0|2,0,2]=4 34 B7R0.1 CCC=NNCCC 4a_100000740057_100000210100 [0,0,0,0,0,0|3,0,1]=4 35 B7R0.1 CCC=NNCCO 4a_100000210001_100000210100 [0,0,0,0,0,0|2,0,1]=3 36 B7R0.1 CCCC=NNCC 4a_100000756455_100000185831 [0,0,0,0,0,0|3,0,1]=4 37 B7R0.1 CCCCNCCO 2230a_100000102301_100000211926 [0,0,0,0,0,0|1,0,3]=4 38 B7R0.1 CCCCNCCO 2230a_100016997473_100000210211 [0,0,0,0,0,0|1,0,3]=4 39 B7R0.1 CCCCNCCO 34a_100016990907_100000210210 [0,0,0,0,0,0|1,0,3]=4 40 B7R0.1 CCCCNCCO 7a_106832991798_100000211926 [0,0,0,0,0,0|1,0,3]=4 41 B7R0.1 CCCCOCCO 34a_100000210227_100000211926 [0,0,0,0,0,0|1,0,3]=4 42 B7R0.1 CCCCOCCO 7a_100000210227_100000211926 [0,0,0,0,0,0|1,0,3]=4 43 B7R0.1 CCCCSCCO 62a_100000210211_100000211926 [0,0,0,0,0,0|1,0,3]=4 44 B7R0.1 CCCCSCCO 62a_100000211926_100000210210 [0,0,0,0,0,0|1,0,3]=4 45 B7R0.1 CCCOCCCO 34a_100000210258_100000230001 [0,0,0,0,0,0|1,0,3]=4 46 B7R0.1 CCCSCCCO 62a_100000210303_100011215043 [0,0,0,0,0,0|1,0,3]=4 47 B7R0.1 CCCSCCCO 62a_100011215043_100000210303 [0,0,0,0,0,0|1,0,3]=4 48 B7R0.1 CCNCC#CCO 2230a_100015525214_200000047223 [0,0,0,0,0,0|1,0,3]=4 49 B7R0.1 CCNCCCCO 2230a_100000750430_100000210202 [0,0,0,0,0,0|1,0,3]=4 50 B7R0.1 CCNCCCCO 2230a_100015525214_100000210776 [0,0,0,0,0,0|1,0,3]=4 51 B7R0.1 CCNCCCCO 34a_100000750430_100000210202 [0,0,0,0,0,0|1,0,3]=4 52 B7R0.1 CCOCC#CCO 34a_100121572206_200000047223 [0,0,0,0,0,0|1,0,3]=4 53 B7R0.1 CCOCCCCO 34a_100121572206_100011216708 [0,0,0,0,0,0|1,0,3]=4 54 B7R0.1 CCOCSCCO 62a_100000211926_100000739092 [0,0,0,0,0,0|2,0,2]=4 55 B7R0.1 CCOCSCCO 62a_100000739092_100000211926 [0,0,0,0,0,0|2,0,2]=4 56 B7R0.1 CCSCC#CCO 62a_100000210202_200000047223 [0,0,0,0,0,0|1,0,3]=4 57 B7R0.1 CCSCC#CCO 62a_200000047223_100000210202 [0,0,0,0,0,0|1,0,3]=4 58 B7R0.1 CCSCCCCO 62a_100000210202_100000210776 [0,0,0,0,0,0|1,0,3]=4 59 B7R0.1 CCSCCCCO 62a_100000210776_100000210202 [0,0,0,0,0,0|1,0,3]=4 60 B6R0.6 C/C=C/CCOC 34a_100016278192_200000210301 [1,0,0,0,0,0|1,0,2]=4 61 B6R0.6 C/C=C/CCO[13CH3] 34a_100016278192_200025704644 [1,0,0,0,0,0|1,0,2]=4 62 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [1,0,0,0,0,0|1,0,1]=3 63 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [1,0,0,0,0,0|1,0,1]=3 64 B6R0.6 C/C=C/COCF 34a_100016270725_100015361967 [1,0,0,0,0,0|2,0,1]=4 65 B6R0.6 C/C=C/CSCC 62a_100000210202_100102629194 [1,0,0,0,0,0|1,0,1]=3 66 B6R0.6 C/C=C/CSCC 62a_100102629194_100000210202 [1,0,0,0,0,0|1,0,1]=3 67 B6R0.6 C/C=C/CSCF 62a_100015361967_100102629194 [1,0,0,0,0,0|2,0,1]=4 68 B6R0.6 C/C=C/CSCF 62a_100102629194_100015361967 [1,0,0,0,0,0|2,0,1]=4 69 B6R0.6 CC/C=C\CNC 2230a_106832991635_100103147603 [1,0,0,0,0,0|1,0,1]=3 70 B6R0.6 CC/C=C\CNC 34a_100102657272_100103147603 [1,0,0,0,0,0|1,0,1]=3 71 B6R0.6 CC/C=C\CNC 7a_106832991635_100103147603 [1,0,0,0,0,0|1,0,1]=3 72 B6R0.6 CC/C=C\COC 34a_100016268518_200000210301 [1,0,0,0,0,0|1,0,1]=3 73 B6R0.6 CC/C=C\COC 34a_100138415774_100103147603 [1,0,0,0,0,0|1,0,1]=3 74 B6R0.6 CC/C=C\CO[13CH3] 34a_100016268518_200025704644 [1,0,0,0,0,0|1,0,1]=3 75 B6R0.6 CC/C=C\CSC 62a_100103147603_200000210301 [1,0,0,0,0,0|1,0,1]=3 76 B6R0.6 CC/C=C\CSC 62a_200000210301_100103147603 [1,0,0,0,0,0|1,0,1]=3 77 B6R0.6 CC/C=C\CS[13CH3] 62a_100103147603_200025704644 [1,0,0,0,0,0|1,0,1]=3 78 B6R0.6 CC/C=C\CS[13CH3] 62a_200025704644_100103147603 [1,0,0,0,0,0|1,0,1]=3 79 B6R0.6 CC=CCNCC 2230a_100015525214_100000070051 [1,0,0,0,0,0|1,0,1]=3 80 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [1,0,0,0,0,0|1,0,1]=3 81 B6R0.6 CC=CCSCC 62a_100000070051_100000210202 [1,0,0,0,0,0|1,0,1]=3 82 B6R0.6 CC=CCSCC 62a_100000210202_100000070051 [1,0,0,0,0,0|1,0,1]=3 83 B6R0.6 CC=CCSCF 62a_100000070051_100015361967 [1,0,0,0,0,0|2,0,1]=4 84 B6R0.6 CC=CCSCF 62a_100015361967_100000070051 [1,0,0,0,0,0|2,0,1]=4 85 B6R0.6 CC=NNCCC 4a_100000740057_200000210099 [1,0,0,0,0,0|2,0,1]=4 86 B6R0.6 CC=NNCCO 4a_100000210001_200000210099 [1,0,0,0,0,0|2,0,1]=4 87 B6R0.6 CCC=NNCC 4a_100000756455_100000210100 [1,0,0,0,0,0|2,0,1]=4 88 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [1,0,0,0,0,0|1,0,2]=4 89 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [1,0,0,0,0,0|1,0,2]=4 90 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [1,0,0,0,0,0|1,0,2]=4 91 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [1,0,0,0,0,0|1,0,2]=4 92 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [1,0,0,0,0,0|1,0,2]=4 93 B6R0.6 CCNCCCO 2230a_100015525214_100000230001 [1,0,0,0,0,0|1,0,2]=4 94 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [1,0,0,0,0,0|1,0,2]=4 95 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [1,0,0,0,0,0|1,0,2]=4 96 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [1,0,0,0,0,0|1,0,2]=4 97 B8R0.1 C#CCC(=O)C=CCC 1458a_100000212282_100000184674 [0,1,0,0,0,0|1,0,2]=4 98 B8R0.1 C/C=C/CC(=O)CCO 1458a_100011216618_100102629194 [0,1,0,0,0,0|0,0,3]=4 99 B8R0.1 C=CC=CC(=O)CCC 1458a_100016291481_100000210303 [0,1,0,0,0,0|1,0,2]=4 100 B8R0.1 C=CC=CC(=O)CCO 1458a_100016291481_100000211926 [0,1,0,0,0,0|0,0,3]=4 101 B8R0.1 C=CCC(=O)C=CCC 1458a_100000212282_100000210623 [0,1,0,0,0,0|1,0,2]=4 102 B8R0.1 CC=CC(=O)CCCO 1458a_100000210699_100011215043 [0,1,0,0,0,0|0,0,3]=4 103 B8R0.1 CC=CC(=O)NCCO 240690a_100000210304_100000210699 [0,1,0,0,0,0|1,0,2]=4 104 B8R0.1 CC=CCC(=O)CCO 1458a_100011216618_100000070051 [0,1,0,0,0,0|0,0,3]=4 105 B8R0.1 CC=CCC(=O)CCO 1458a_100121576822_100000211926 [0,1,0,0,0,0|0,0,3]=4 106 B8R0.1 CCC#CC(=O)CCO 1458a_100011827653_100000211926 [0,1,0,0,0,0|0,0,3]=4 107 B8R0.1 CCC=CC(=O)CC#N 1458a_100000212282_100011214920 [0,1,0,0,0,0|1,0,2]=4 108 B8R0.1 CCC=CC(=O)CCC 1458a_100000212282_100000210303 [0,1,0,0,0,0|1,0,1]=3 109 B8R0.1 CCC=CC(=O)CCF 1458a_100000212282_100011217306 [0,1,0,0,0,0|1,0,1]=3 110 B8R0.1 CCC=CC(=O)CCO 1458a_100000212282_100000211926 [0,1,0,0,0,0|0,0,1]=2 111 B8R0.1 CCC=CC(=O)NCC 11a_100015525214_100000212282 [0,1,0,0,0,0|2,0,0]=3 112 B8R0.1 CCC=CC(=O)NCC 240690a_100015525214_100000212282 [0,1,0,0,0,0|2,0,0]=3 113 B8R0.1 CCC=CC(=O)NNC 22a_100016993582_100000212282 [0,1,0,0,0,0|3,0,0]=4 114 B8R0.1 CCCC(=O)C#CCO 1458a_100000049017_100000210303 [0,1,0,0,0,0|0,0,3]=4 115 B8R0.1 CCCC(=O)C=COC 1458a_100016268678_100000210303 [0,1,0,0,0,0|2,0,1]=4 116 B8R0.1 CCCC(=O)CCCO 1458a_100000211992_100011215043 [0,1,0,0,0,0|0,0,3]=4 117 B8R0.1 CCCC(=O)NCCO 240690a_100000210304_100000211992 [0,1,0,0,0,0|1,0,2]=4 118 B8R0.1 CCCC(=O)NCCO 527a_100000210304_100000211992 [0,1,0,0,0,0|1,0,2]=4 119 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [0,1,0,0,0,0|0,0,3]=4 120 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [0,1,0,0,0,0|0,0,3]=4 121 B8R0.1 CCCNC(=O)CCO 240690a_100020643023_100011216618 [0,1,0,0,0,0|1,0,2]=4 122 B8R0.1 CCNC(=O)C=COC 240690a_100015525214_100016268678 [0,1,0,0,0,0|3,0,0]=4 123 B8R0.1 CCNC(=O)NCCO 2708a_100015525214_100000210304 [0,1,0,0,0,0|2,0,1]=4 124 B8R0.1 CCNC(=O)NCCO 273464a_100000210304_100015525214 [0,1,0,0,0,0|2,0,1]=4 125 B8R0.1 CCNC(=O)NCCO 273464a_100015525214_100000210304 [0,1,0,0,0,0|2,0,1]=4 126 B8R0.1 CCNC(=O)NCCO 512a_100015525214_100000210304 [0,1,0,0,0,0|2,0,1]=4 127 B8R0.1 CCNCC(=O)NCO 2230a_100015525214_100000185155 [0,1,0,0,0,0|2,0,1]=4 128 B8R0.1 CCNNC(=O)CCO 22a_100000756455_100011216618 [0,1,0,0,0,0|2,0,1]=4 129 B8R0.1 CCOCC(=O)CCO 1458a_100000211967_100000211926 [0,1,0,0,0,0|1,0,2]=4 130 B8R0.1 CCOCC(=O)NCO 34a_100121572206_100000185155 [0,1,0,0,0,0|2,0,1]=4 131 B8R0.1 CCSCC(=O)CCO 1458a_100000230394_100000211926 [0,1,0,0,0,0|1,0,2]=4 132 B8R0.1 CCSCC(=O)NCO 62a_100000185155_100000210202 [0,1,0,0,0,0|2,0,1]=4 133 B8R0.1 CCSCC(=O)NCO 62a_100000210202_100000185155 [0,1,0,0,0,0|2,0,1]=4 134 B8R0.1 COC=CC(=O)CCF 1458a_100016268678_100011217306 [0,1,0,0,0,0|2,0,1]=4 135 B8R0.1 COC=CC(=O)CCO 1458a_100016268678_100000211926 [0,1,0,0,0,0|1,0,1]=3 136 B8R0.4 C#CCNC/C=C\CC 34a_100000212058_100103147603 [0,1,0,0,0,0|2,0,1]=4 137 B8R0.4 C#CCOC/C=C\CC 34a_100000210247_100103147603 [0,1,0,0,0,0|2,0,1]=4 138 B8R0.4 C#CCOC/C=C\CC 34a_100016268518_100000184674 [0,1,0,0,0,0|2,0,1]=4 139 B8R0.4 C#CCSC/C=C\CC 62a_100000038162_100103147603 [0,1,0,0,0,0|2,0,1]=4 140 B8R0.4 C/C=C/C=C/COCC 34a_100016283227_100000210202 [0,1,0,0,0,0|1,0,2]=4 141 B8R0.4 C/C=C/C=C/COCF 34a_100016283227_100015361967 [0,1,0,0,0,0|1,0,2]=4 142 B8R0.4 C=CCNC/C=C\CC 2230a_100020586998_100103147603 [0,1,0,0,0,0|2,0,1]=4 143 B8R0.4 C=CCOC/C=C\CC 34a_100016268518_100015514636 [0,1,0,0,0,0|2,0,1]=4 144 B8R0.4 C=CCOC/C=C\CC 34a_200000210373_100103147603 [0,1,0,0,0,0|2,0,1]=4 145 B8R0.4 C=CCSC/C=C\CC 62a_100000210623_100103147603 [0,1,0,0,0,0|2,0,1]=4 146 B8R0.4 C=CCSC/C=C\CC 62a_100103147603_100000210623 [0,1,0,0,0,0|2,0,1]=4 147 B8R0.4 CC/C=C/CCCOC 34a_100016287902_200000210301 [0,1,0,0,0,0|0,0,2]=3 148 B8R0.4 CC/C=C/CCCOC 7a_100016287902_200000210301 [0,1,0,0,0,0|0,0,2]=3 149 B8R0.4 CC/C=C/CCCO[13CH3] 34a_100016287902_200025704644 [0,1,0,0,0,0|0,0,2]=3 150 B8R0.4 CC/C=C/CCCO[13CH3] 7a_100016287902_200025704644 [0,1,0,0,0,0|0,0,2]=3 151 B8R0.4 CC/C=C\CCNCC 2230a_100015525214_100015370543 [0,1,0,0,0,0|1,0,2]=4 152 B8R0.4 CC/C=C\CCOCC 34a_100016288707_100000210202 [0,1,0,0,0,0|1,0,2]=4 153 B8R0.4 CC/C=C\CCOCC 34a_100121572206_100015370543 [0,1,0,0,0,0|1,0,2]=4 154 B8R0.4 CC/C=C\CCOCC 7a_100016288707_100000210202 [0,1,0,0,0,0|1,0,2]=4 155 B8R0.4 CC/C=C\CCOCF 34a_100016288707_100015361967 [0,1,0,0,0,0|1,0,2]=4 156 B8R0.4 CC/C=C\CCOCF 7a_100016288707_100015361967 [0,1,0,0,0,0|1,0,2]=4 157 B8R0.4 CC/C=C\CCSCC 62a_100000210202_100015370543 [0,1,0,0,0,0|1,0,2]=4 158 B8R0.4 CC/C=C\CCSCC 62a_100015370543_100000210202 [0,1,0,0,0,0|1,0,2]=4 159 B8R0.4 CC/C=C\CCSCF 62a_100015361967_100015370543 [0,1,0,0,0,0|1,0,2]=4 160 B8R0.4 CC/C=C\CCSCF 62a_100015370543_100015361967 [0,1,0,0,0,0|1,0,2]=4 161 B8R0.4 CC/C=C\CNCCF 34a_100000724931_100103147603 [0,1,0,0,0,0|1,0,2]=4 162 B8R0.4 CC/C=C\CNCCO 2230a_100016997473_100103147603 [0,1,0,0,0,0|0,0,2]=3 163 B8R0.4 CC/C=C\CNCCO 34a_100016990907_100103147603 [0,1,0,0,0,0|0,0,2]=3 164 B8R0.4 CC/C=C\COCC=O 34a_100016268518_200009817547 [0,1,0,0,0,0|1,0,2]=4 165 B8R0.4 CC/C=C\COCCBr 34a_100000211926_100103147603 [0,1,0,0,0,0|1,0,2]=4 166 B8R0.4 CC/C=C\COCCC 34a_100000210258_100103147603 [0,1,0,0,0,0|1,0,2]=4 167 B8R0.4 CC/C=C\COCCC 34a_100016268518_100000210303 [0,1,0,0,0,0|1,0,2]=4 168 B8R0.4 CC/C=C\COCCF 34a_100016268518_100011217306 [0,1,0,0,0,0|1,0,2]=4 169 B8R0.4 CC/C=C\COCCN 34a_100000210304_100103147603 [0,1,0,0,0,0|1,0,2]=4 170 B8R0.4 CC/C=C\COCCO 34a_100016268518_100000211926 [0,1,0,0,0,0|0,0,2]=3 171 B8R0.4 CC/C=C\COCSC 34a_100016268518_100011218213 [0,1,0,0,0,0|1,1,1]=4 172 B8R0.4 CC/C=C\CSCC#N 62a_100011215382_100103147603 [0,1,0,0,0,0|2,0,1]=4 173 B8R0.4 CC/C=C\CSCC#N 62a_100103147603_100011215382 [0,1,0,0,0,0|2,0,1]=4 174 B8R0.4 CC/C=C\CSCC=O 62a_100103147603_200015260668 [0,1,0,0,0,0|1,0,2]=4 175 B8R0.4 CC/C=C\CSCC=O 62a_200015260668_100103147603 [0,1,0,0,0,0|1,0,2]=4 176 B8R0.4 CC/C=C\CSCCC 62a_100000210303_100103147603 [0,1,0,0,0,0|1,0,2]=4 177 B8R0.4 CC/C=C\CSCCC 62a_100103147603_100000210303 [0,1,0,0,0,0|1,0,2]=4 178 B8R0.4 CC/C=C\CSCCF 62a_100011217306_100103147603 [0,1,0,0,0,0|1,0,2]=4 179 B8R0.4 CC/C=C\CSCCF 62a_100103147603_100011217306 [0,1,0,0,0,0|1,0,2]=4 180 B8R0.4 CC/C=C\CSCCO 62a_100000211926_100103147603 [0,1,0,0,0,0|0,0,2]=3 181 B8R0.4 CC/C=C\CSCCO 62a_100103147603_100000211926 [0,1,0,0,0,0|0,0,2]=3 182 B8R0.4 CC/C=C\CSCOC 62a_100000766300_100103147603 [0,1,0,0,0,0|1,0,1]=3 183 B8R0.4 CC/C=C\CSCOC 62a_100103147603_100000766300 [0,1,0,0,0,0|1,0,1]=3 184 B8R0.4 CC/C=C\CSCSC 62a_100011218213_100103147603 [0,1,0,0,0,0|1,1,1]=4 185 B8R0.4 CC/C=C\CSCSC 62a_100103147603_100011218213 [0,1,0,0,0,0|1,1,1]=4 186 B8R0.4 CCC/C=C/COCC 34a_100016278788_100000210202 [0,1,0,0,0,0|1,0,2]=4 187 B8R0.4 CCC/C=C/COCC 7a_100016278788_100000210202 [0,1,0,0,0,0|1,0,2]=4 188 B8R0.4 CCC/C=C/COCF 34a_100016278788_100015361967 [0,1,0,0,0,0|1,0,2]=4 189 B8R0.4 CCC/C=C/COCF 7a_100016278788_100015361967 [0,1,0,0,0,0|1,0,2]=4 190 B8R0.4 CCC=CC=NNCC 4a_100000756455_100011216943 [0,1,0,0,0,0|2,0,0]=3 191 B8R0.4 CCCC/C=C/COC 34a_200016272032_200000210301 [0,1,0,0,0,0|0,0,2]=3 192 B8R0.4 CCCC/C=C/COC 7a_200016272032_200000210301 [0,1,0,0,0,0|0,0,2]=3 193 B8R0.4 CCCC/C=C/CO[13CH3] 34a_200016272032_200025704644 [0,1,0,0,0,0|0,0,2]=3 194 B8R0.4 CCCC/C=C/CO[13CH3] 7a_200016272032_200025704644 [0,1,0,0,0,0|0,0,2]=3 195 B8R0.4 CCCC=NNCCO 4a_100000210001_100000185831 [0,1,0,0,0,0|1,0,2]=4 196 B8R0.6 C#CC(=O)C/C=C\CC 1458a_100000211873_100103147603 [0,1,0,0,0,0|1,0,2]=4 197 B8R0.6 C/C=C/C=CC(=O)CC 1458a_100000185730_100000210202 [0,1,0,0,0,0|1,0,1]=3 198 B8R0.6 C/C=C/C=CC(=O)CF 1458a_100000185730_100015361967 [0,1,0,0,0,0|1,0,1]=3 199 B8R0.6 C/C=C/C=CC(=O)NC 11a_106832991635_100000185730 [0,1,0,0,0,0|2,0,1]=4 200 B8R0.6 C/C=C/C=CC(=O)NC 1626a_100102657272_100000185730 [0,1,0,0,0,0|2,0,1]=4 201 B8R0.6 C/C=C/C=CC(=O)NC 240690a_100102657272_100000185730 [0,1,0,0,0,0|2,0,1]=4 202 B8R0.6 C=CC(=O)C/C=C\CC 1458a_100000185746_100103147603 [0,1,0,0,0,0|1,0,2]=4 203 B8R0.6 CC/C=C/CC(=O)CC 1458a_100016274230_100000210202 [0,1,0,0,0,0|1,0,1]=3 204 B8R0.6 CC/C=C/CC(=O)CF 1458a_100016274230_100015361967 [0,1,0,0,0,0|1,0,1]=3 205 B8R0.6 CC/C=C/CC(=O)NC 11a_106832991635_100016274230 [0,1,0,0,0,0|2,0,1]=4 206 B8R0.6 CC/C=C/CC(=O)NC 1626a_100102657272_100016274230 [0,1,0,0,0,0|2,0,1]=4 207 B8R0.6 CC/C=C/CC(=O)NC 240690a_100102657272_100016274230 [0,1,0,0,0,0|2,0,1]=4 208 B8R0.6 CC/C=C/CC(=O)NC 527a_100102657272_100016274230 [0,1,0,0,0,0|2,0,1]=4 209 B8R0.6 CC/C=C\CC(=O)CC 1458a_100000210414_100103147603 [0,1,0,0,0,0|1,0,1]=3 210 B8R0.6 CC/C=C\CC(=O)CO 1458a_100000210174_100103147603 [0,1,0,0,0,0|0,0,1]=2 211 B8R0.6 CC/C=C\CN(C)CC 2230a_100000225621_100103147603 [0,1,0,0,0,0|2,0,1]=4 212 B8R0.6 CC/C=C\CN(C)CC 269982a_100000225621_100103147603 [0,1,0,0,0,0|2,0,1]=4 213 B8R0.6 CCC#CCC(=O)CO 1458a_100000210174_100009813939 [0,1,0,0,0,0|0,0,3]=4 214 B8R0.6 CCC(=O)C=CCOC 1458a_100016285016_100000210202 [0,1,0,0,0,0|2,0,1]=4 215 B8R0.6 CCC(=O)CC#CCO 1458a_100000210414_200000047223 [0,1,0,0,0,0|0,0,3]=4 216 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [0,1,0,0,0,0|0,0,3]=4 217 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [0,1,0,0,0,0|0,0,3]=4 218 B8R0.6 CCC(=O)COCCO 1458a_100000708028_100000210202 [0,1,0,0,0,0|1,0,2]=4 219 B8R0.6 CCC(=O)COCCO 34a_100000725409_100000211926 [0,1,0,0,0,0|1,0,2]=4 220 B8R0.6 CCC(=O)CSCCO 62a_100000211926_100000747405 [0,1,0,0,0,0|1,0,2]=4 221 B8R0.6 CCC(=O)CSCCO 62a_100000747405_100000211926 [0,1,0,0,0,0|1,0,2]=4 222 B8R0.6 CCC(=O)NCCCO 240690a_100000182051_100000210414 [0,1,0,0,0,0|1,0,2]=4 223 B8R0.6 CCC(=O)NCCCO 527a_100000182051_100000210414 [0,1,0,0,0,0|1,0,2]=4 224 B8R0.6 CCC(=O)NNCCO 22a_100000210001_100000210414 [0,1,0,0,0,0|2,0,1]=4 225 B8R0.6 CCC=NNC(=O)CC 4a_100000183195_100000210100 [0,1,0,0,0,0|3,0,0]=4 226 B8R0.6 CCCC=CC(=O)CC 1458a_100000212230_100000210202 [0,1,0,0,0,0|1,0,1]=3 227 B8R0.6 CCCC=CC(=O)CF 1458a_100000212230_100015361967 [0,1,0,0,0,0|1,0,1]=3 228 B8R0.6 CCCC=CC(=O)NC 11a_106832991635_100000212230 [0,1,0,0,0,0|2,0,1]=4 229 B8R0.6 CCCC=CC(=O)NC 1626a_100102657272_100000212230 [0,1,0,0,0,0|2,0,1]=4 230 B8R0.6 CCCC=CC(=O)NC 240690a_100102657272_100000212230 [0,1,0,0,0,0|2,0,1]=4 231 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [0,1,0,0,0,0|0,0,3]=4 232 B8R0.6 CCCCNC(=O)CO 240690a_100000102301_100000210174 [0,1,0,0,0,0|1,0,2]=4 233 B8R0.6 CCCCNC(=O)CO 527a_100000102301_100000210174 [0,1,0,0,0,0|1,0,2]=4 234 B8R0.6 CCCNN=C(C)CO 4a_100000740057_100000211253 [0,1,0,0,0,0|2,0,1]=4 235 B8R0.6 CCCNNC(=O)CO 22a_100000740057_100000210174 [0,1,0,0,0,0|2,0,1]=4 236 B8R0.6 CCNN=CC(O)CO 4a_100000756455_100000033539 [0,1,0,0,0,0|2,0,1]=4 237 B8R0.6 CCOC=CC(=O)CC 1458a_100016266692_100000210202 [0,1,0,0,0,0|2,0,0]=3 238 B8R0.6 CCOC=CC(=O)CF 1458a_100016266692_100015361967 [0,1,0,0,0,0|2,0,0]=3 239 B8R0.6 CCOC=CC(=O)NC 11a_106832991635_100016266692 [0,1,0,0,0,0|3,0,0]=4 240 B8R0.6 CCOC=CC(=O)NC 1626a_100102657272_100016266692 [0,1,0,0,0,0|3,0,0]=4 241 B8R0.6 CCOC=CC(=O)NC 240690a_100102657272_100016266692 [0,1,0,0,0,0|3,0,0]=4 242 B8R0.6 CCOCCC(=O)CO 1458a_100000210174_100011215890 [0,1,0,0,0,0|1,0,2]=4 243 B8R0.6 CCSCCC(=O)CO 1458a_100000210174_100000757381 [0,1,0,0,0,0|1,0,2]=4 244 B8R0.6 COCC=CC(=O)CF 1458a_100016285016_100015361967 [0,1,0,0,0,0|2,0,1]=4 245 B8R0.7 CC(C)C=NNCCO 4a_100000210001_100000210432 [0,1,0,0,0,0|2,0,1]=4 246 B8R0.7 CC/C=C\CNC(C)C 2230a_100138425928_100103147603 [0,1,0,0,0,0|2,0,1]=4 247 B8R0.7 CC/C=C\CNC(C)C 34a_100138425928_100103147603 [0,1,0,0,0,0|2,0,1]=4 248 B8R0.7 CC/C=C\COC(C)C 34a_100000212225_100103147603 [0,1,0,0,0,0|2,0,1]=4 249 B8R0.7 CC/C=C\COC(C)C 34a_100016268518_100000210206 [0,1,0,0,0,0|2,0,1]=4 250 B8R0.7 CC/C=C\CSC(C)C 62a_100000210206_100103147603 [0,1,0,0,0,0|2,0,1]=4 251 B8R0.7 CC/C=C\CSC(C)C 62a_100103147603_100000210206 [0,1,0,0,0,0|2,0,1]=4 252 B8R0.7 CCC=NNCC(C)O 4a_200000730056_100000210100 [0,1,0,0,0,0|2,0,1]=4 253 B8R0.7 CCNC/C=C/B(O)O 2230a_100015525214_100016262062 [0,1,0,0,0,0|2,0,1]=4 254 B8R0.7 CCOC/C=C/B(O)O 34a_100121572206_100016262062 [0,1,0,0,0,0|2,0,1]=4 255 B8R0.7 CCSC/C=C/B(O)O 62a_100000210202_100016262062 [0,1,0,0,0,0|2,0,1]=4 256 B8R0.7 CCSC/C=C/B(O)O 62a_100016262062_100000210202 [0,1,0,0,0,0|2,0,1]=4 257 B8R1.2 CCN1CC=CCC1 2230a_100000698166_100000210202 [0,0,0,1,0,0|2,0,1]=4 258 B8R1.2 CCN1CC=CCC1 269982a_100000698166_100000204670 [0,0,0,1,0,0|2,0,1]=4 259 B8R1.2 CCN1CC=CCC1 34a_100000698166_100000210202 [0,0,0,1,0,0|2,0,1]=4 260 B8R1.2 CNc1ccccc1 34a_100000106764_200000210301 [0,0,0,1,0,0|2,0,1]=4 261 B8R1.2 CNc1cccnn1 27a_100102657272_100016991348 [0,0,0,1,0,0|3,0,0]=4 262 B8R1.2 COc1ccccc1 34a_100000210340_200000210301 [0,0,0,1,0,0|2,0,1]=4 263 B8R1.2 COc1ccccc1 7a_100000210340_200000210301 [0,0,0,1,0,0|2,0,1]=4 264 B8R1.2 COc1cccnc1 34a_100000210849_200000210301 [0,0,0,1,0,0|3,0,0]=4 265 B8R1.2 COc1cccnc1 7a_100000210849_200000210301 [0,0,0,1,0,0|3,0,0]=4 266 B8R1.2 CSc1ccccc1 62a_100000719477_200000210301 [0,0,0,1,0,0|2,0,1]=4 267 B8R1.2 CSc1ccccc1 62a_200000210301_100000041952 [0,0,0,1,0,0|2,0,1]=4 268 B8R1.2 CSc1ccccn1 62a_100011216584_200000210301 [0,0,0,1,0,0|2,0,1]=4 269 B8R1.2 CSc1ccccn1 62a_200000210301_100011216584 [0,0,0,1,0,0|2,0,1]=4 270 B8R1.2 CSc1cccnc1 62a_100000210063_200000210301 [0,0,0,1,0,0|3,0,0]=4 271 B8R1.2 CSc1cccnc1 62a_200000210301_100000210063 [0,0,0,1,0,0|3,0,0]=4 272 B8R1.2 CSc1cccnn1 62a_100016991348_200000210301 [0,0,0,1,0,0|3,0,0]=4 273 B8R1.2 CSc1cccnn1 62a_200000210301_100016991348 [0,0,0,1,0,0|3,0,0]=4 274 B8R1.2 FCN1CC=CCC1 269982a_100000698166_100015361967 [0,0,0,1,0,0|2,0,1]=4 275 B8R1.2 FCN1CC=CCC1 34a_100000698166_100015361967 [0,0,0,1,0,0|2,0,1]=4 276 B8R1.2 [13CH3]Nc1ccccc1 34a_100000106764_200025704644 [0,0,0,1,0,0|2,0,1]=4 277 B8R1.2 [13CH3]Oc1ccccc1 34a_100000210340_200025704644 [0,0,0,1,0,0|2,0,1]=4 278 B8R1.2 [13CH3]Oc1ccccc1 7a_100000210340_200025704644 [0,0,0,1,0,0|2,0,1]=4 279 B8R1.2 [13CH3]Oc1cccnc1 34a_100000210849_200025704644 [0,0,0,1,0,0|3,0,0]=4 280 B8R1.2 [13CH3]Oc1cccnc1 7a_100000210849_200025704644 [0,0,0,1,0,0|3,0,0]=4 281 B8R1.2 [13CH3]Sc1ccccc1 62a_100000719477_200025704644 [0,0,0,1,0,0|2,0,1]=4 282 B8R1.2 [13CH3]Sc1ccccc1 62a_200025704644_100000041952 [0,0,0,1,0,0|2,0,1]=4 283 B8R1.2 [13CH3]Sc1ccccn1 62a_100011216584_200025704644 [0,0,0,1,0,0|2,0,1]=4 284 B8R1.2 [13CH3]Sc1ccccn1 62a_200025704644_100011216584 [0,0,0,1,0,0|2,0,1]=4 285 B8R1.2 [13CH3]Sc1cccnc1 62a_100000210063_200025704644 [0,0,0,1,0,0|3,0,0]=4 286 B8R1.2 [13CH3]Sc1cccnc1 62a_200025704644_100000210063 [0,0,0,1,0,0|3,0,0]=4 287 B8R1.2 [13CH3]Sc1cccnn1 62a_100016991348_200025704644 [0,0,0,1,0,0|3,0,0]=4 288 B8R1.2 [13CH3]Sc1cccnn1 62a_200025704644_100016991348 [0,0,0,1,0,0|3,0,0]=4 289 B8R1.5 C[n+]1ccccc1O 271570a_203496583355_100000212160 [0,0,0,1,0,0|1,0,1]=3 290 B8R1.5 Cc1ccccc1O 271570a_203496583355_100000210755 [0,0,0,1,0,0|0,0,2]=3 291 B8R1.5 Cc1cccnc1O 271570a_203496583355_100000751373 [0,0,0,1,0,0|1,0,2]=4 292 B8R1.5 Cc1ccncc1O 271570a_203496583355_100000761580 [0,0,0,1,0,0|1,0,2]=4 293 B8R1.5 Cc1cnccc1O 271570a_203496583355_100015191297 [0,0,0,1,0,0|1,0,2]=4 294 B8R1.5 Cc1ncccc1O 271570a_203496583355_100000751574 [0,0,0,1,0,0|1,0,2]=4 295 B8R1.5 Nc1ccccc1O 271570a_203496583355_100000210017 [0,0,0,1,0,0|1,0,2]=4 296 B8R1.5 Oc1ccccc1Br 271570a_203496583355_100000695589 [0,0,0,1,0,0|1,0,2]=4 297 B8R1.5 Oc1ccccc1Cl 271570a_203496583355_100000764095 [0,0,0,1,0,0|1,0,2]=4 298 B8R1.5 Oc1ccccc1F 271570a_203496583355_100011215700 [0,0,0,1,0,0|1,0,2]=4 299 B8R1.5 Oc1ccccc1O 271570a_203496583355_100000739446 [0,0,0,1,0,0|1,0,2]=4 300 B8R1.5 [O-][n+]1ccccc1O 271570a_203496583355_200000042595 [0,0,0,1,0,0|2,0,1]=4 301 B8R1.8 C=C=Cc1ccco1 271570a_100015277604_100009814098 [0,0,0,1,0,0|0,0,3]=4 302 B8R1.8 CC=Cc1cc[nH]n1 271570a_100016259895_100000062575 [0,0,0,1,0,0|2,0,1]=4 303 B8R1.8 CC=Cc1ccco1 271570a_100016259895_100009814098 [0,0,0,1,0,0|0,0,2]=3 304 B8R1.8 CC=Cc1cccs1 271570a_100016259895_100011215356 [0,0,0,1,0,0|0,1,2]=4 305 B8R1.8 CC=Cc1ccoc1 271570a_100016259895_100011215275 [0,0,0,1,0,0|2,0,1]=4 306 B8R1.8 CC=Cc1ccsc1 271570a_100016259895_100000738268 [0,0,0,1,0,0|2,0,1]=4 307 B8R1.8 CC=Cc1ccsn1 271570a_100016259895_100009818082 [0,0,0,1,0,0|2,0,1]=4 308 B8R1.8 CC=Cc1cnco1 271570a_100016259895_100020591547 [0,0,0,1,0,0|1,0,2]=4 309 B8R1.8 CC=Cc1ncco1 271570a_100016259895_100011787736 [0,0,0,1,0,0|1,0,2]=4 310 B8R1.8 CCOc1ccsc1 34a_100000106738_100000210202 [0,0,0,1,0,0|3,0,0]=4 311 B8R1.8 CCOc1ccsc1 7a_100000106738_100000210202 [0,0,0,1,0,0|3,0,0]=4 312 B8R1.8 CCSc1cc[nH]n1 62a_100000062575_100000210202 [0,0,0,1,0,0|3,0,0]=4 313 B8R1.8 CCSc1cc[nH]n1 62a_100000210202_100000062575 [0,0,0,1,0,0|3,0,0]=4 314 B8R1.8 CCSc1ccco1 62a_100000210202_100009814098 [0,0,0,1,0,0|1,0,1]=3 315 B8R1.8 CCSc1ccco1 62a_100009814098_100000210202 [0,0,0,1,0,0|1,0,1]=3 316 B8R1.8 CCSc1cccs1 62a_100000210202_100011215356 [0,0,0,1,0,0|1,1,1]=4 317 B8R1.8 CCSc1cccs1 62a_100011215356_100000210202 [0,0,0,1,0,0|1,1,1]=4 318 B8R1.8 CCSc1ccoc1 62a_100000210202_100011215275 [0,0,0,1,0,0|3,0,0]=4 319 B8R1.8 CCSc1ccoc1 62a_100011215275_100000210202 [0,0,0,1,0,0|3,0,0]=4 320 B8R1.8 CCSc1ccon1 62a_100000210202_100009818083 [0,0,0,1,0,0|3,0,0]=4 321 B8R1.8 CCSc1ccon1 62a_100009818083_100000210202 [0,0,0,1,0,0|3,0,0]=4 322 B8R1.8 CCSc1ccsc1 62a_100000210202_100000738268 [0,0,0,1,0,0|3,0,0]=4 323 B8R1.8 CCSc1ccsc1 62a_100000738268_100000210202 [0,0,0,1,0,0|3,0,0]=4 324 B8R1.8 CCSc1ccsn1 62a_100000210202_100009818082 [0,0,0,1,0,0|3,0,0]=4 325 B8R1.8 CCSc1ccsn1 62a_100009818082_100000210202 [0,0,0,1,0,0|3,0,0]=4 326 B8R1.8 CCSc1cnco1 62a_100000210202_100020591547 [0,0,0,1,0,0|2,0,1]=4 327 B8R1.8 CCSc1cnco1 62a_100020591547_100000210202 [0,0,0,1,0,0|2,0,1]=4 328 B8R1.8 CCSc1ncco1 62a_100000210202_100011787736 [0,0,0,1,0,0|2,0,1]=4 329 B8R1.8 CCSc1ncco1 62a_100011787736_100000210202 [0,0,0,1,0,0|2,0,1]=4 330 B8R1.8 CNCc1ccco1 207a_100102657272_100000186105 [0,0,0,1,0,0|1,0,2]=4 331 B8R1.8 CNCc1ccco1 2230a_100000185738_200000210301 [0,0,0,1,0,0|1,0,2]=4 332 B8R1.8 CNCc1ccco1 270004a_106832991635_100000186105 [0,0,0,1,0,0|1,0,2]=4 333 B8R1.8 CNCc1ccco1 34a_100000185738_200000210301 [0,0,0,1,0,0|1,0,2]=4 334 B8R1.8 COCc1ccco1 34a_100000210059_200000210301 [0,0,0,1,0,0|1,0,2]=4 335 B8R1.8 COCc1ccno1 34a_100000740478_200000210301 [0,0,0,1,0,0|2,0,1]=4 336 B8R1.8 FCSc1ccco1 62a_100009814098_100015361967 [0,0,0,1,0,0|2,0,1]=4 337 B8R1.8 FCSc1ccco1 62a_100015361967_100009814098 [0,0,0,1,0,0|2,0,1]=4 338 B8R1.8 [13CH3]NCc1ccco1 2230a_100000185738_200025704644 [0,0,0,1,0,0|1,0,2]=4 339 B8R1.8 [13CH3]NCc1ccco1 34a_100000185738_200025704644 [0,0,0,1,0,0|1,0,2]=4 340 B8R1.8 [13CH3]OCc1ccco1 34a_100000210059_200025704644 [0,0,0,1,0,0|1,0,2]=4 341 B8R1.8 [13CH3]OCc1ccno1 34a_100000740478_200025704644 [0,0,0,1,0,0|2,0,1]=4 342 B8R1.11 CCc1ccsc1O 271570a_203496583355_200009875468 [0,0,0,1,0,0|1,0,1]=3 343 B8R1.11 CCc1cscc1O 271570a_203496583355_100011068457 [0,0,0,1,0,0|1,0,1]=3 344 B8R1.11 CCn1ccnc1O 271570a_203496583355_100011617267 [0,0,0,1,0,0|2,0,1]=4 345 B8R1.11 CCn1nccc1O 271570a_203496583355_100000728327 [0,0,0,1,0,0|2,0,1]=4 346 B8R1.11 CSc1sccc1O 271570a_203496583355_200010341309 [0,0,0,1,0,0|2,0,1]=4 347 B8R1.11 NCc1ccsc1O 271570a_203496583355_100000727803 [0,0,0,1,0,0|2,0,1]=4 348 B8R1.11 OCc1ccsc1O 271570a_203496583355_100009816922 [0,0,0,1,0,0|2,0,1]=4 349 B8R1.11 OCc1cscc1O 271570a_203496583355_100000724555 [0,0,0,1,0,0|2,0,1]=4 350 B8R1.11 OCc1sccc1O 271570a_203496583355_100000702026 [0,0,0,1,0,0|2,0,1]=4 351 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [2,0,0,0,0,0|1,0,1]=4 352 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [2,0,0,0,0,0|1,0,1]=4 353 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [2,0,0,0,0,0|1,0,1]=4 354 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [2,0,0,0,0,0|1,0,1]=4 355 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [2,0,0,0,0,0|1,0,1]=4 356 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [2,0,0,0,0,0|1,0,1]=4 357 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [2,0,0,0,0,0|1,0,1]=4 358 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [2,0,0,0,0,0|1,0,1]=4 359 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [2,0,0,0,0,0|1,0,1]=4 360 B5R0.2 C=CCNCC 2230a_100015525214_100000210623 [2,0,0,0,0,0|1,0,1]=4 361 B5R0.2 C=CCNCC 2230a_100020586998_100000210202 [2,0,0,0,0,0|1,0,1]=4 362 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [2,0,0,0,0,0|1,0,1]=4 363 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [2,0,0,0,0,0|1,0,1]=4 364 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [2,0,0,0,0,0|1,0,1]=4 365 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [2,0,0,0,0,0|1,0,1]=4 366 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [2,0,0,0,0,0|1,0,1]=4 367 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [2,0,0,0,0,0|1,0,1]=4 368 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [2,0,0,0,0,0|1,0,1]=4 369 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [2,0,0,0,0,0|1,0,1]=4 370 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [2,0,0,0,0,0|1,0,1]=4 371 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [2,0,0,0,0,0|1,0,1]=4 372 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [2,0,0,0,0,0|1,0,1]=4 373 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [2,0,0,0,0,0|1,0,1]=4 374 B5R0.2 CC=NNCC 4a_100000756455_200000210099 [2,0,0,0,0,0|2,0,0]=4 375 B5R0.2 CCNCCO 2230a_100015525214_100000211926 [2,0,0,0,0,0|1,0,1]=4 376 B5R0.2 CCNCCO 2230a_100016997473_100000210202 [2,0,0,0,0,0|1,0,1]=4 377 B5R0.2 CCNCCO 34a_100016990907_100000210202 [2,0,0,0,0,0|1,0,1]=4 378 B5R0.2 CCOCCO 34a_100121572206_100000211926 [2,0,0,0,0,0|1,0,1]=4 379 B5R0.2 CCSCCO 62a_100000210202_100000211926 [2,0,0,0,0,0|1,0,1]=4 380 B5R0.2 CCSCCO 62a_100000211926_100000210202 [2,0,0,0,0,0|1,0,1]=4 381 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [1,1,0,0,0,0|0,0,1]=3 382 B7R0.3 C/C=C/CC(=O)CO 1458a_100000210174_100102629194 [1,1,0,0,0,0|0,0,1]=3 383 B7R0.3 C/C=C/CN(C)CC 269982a_100000225621_100102629194 [1,1,0,0,0,0|1,0,1]=4 384 B7R0.3 C=CC=CC(=O)CC 1458a_100016291481_100000210202 [1,1,0,0,0,0|0,0,1]=3 385 B7R0.3 C=CC=CC(=O)CF 1458a_100016291481_100015361967 [1,1,0,0,0,0|1,0,1]=4 386 B7R0.3 C=CC=CC(=O)NC 1626a_100102657272_100016291481 [1,1,0,0,0,0|1,0,1]=4 387 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [1,1,0,0,0,0|0,0,1]=3 388 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [1,1,0,0,0,0|0,0,1]=3 389 B7R0.3 CC=CCC(=O)CF 1458a_100121576822_100015361967 [1,1,0,0,0,0|1,0,1]=4 390 B7R0.3 CC=CCC(=O)CO 1458a_100000210174_100000070051 [1,1,0,0,0,0|0,0,1]=3 391 B7R0.3 CC=CCC(=O)NC 11a_106832991635_100121576822 [1,1,0,0,0,0|1,0,1]=4 392 B7R0.3 CC=CCC(=O)NC 1626a_100102657272_100121576822 [1,1,0,0,0,0|1,0,1]=4 393 B7R0.3 CC=CCC(=O)NC 240690a_100102657272_100121576822 [1,1,0,0,0,0|1,0,1]=4 394 B7R0.3 CC=CCC(=O)NC 527a_100102657272_100121576822 [1,1,0,0,0,0|1,0,1]=4 395 B7R0.3 CC=CCN(C)CC 2230a_100000225621_100000070051 [1,1,0,0,0,0|1,0,1]=4 396 B7R0.3 CC=NNC(=O)CC 4a_100000183195_200000210099 [1,1,0,0,0,0|2,0,0]=4 397 B7R0.3 CCC(=O)C#CCO 1458a_100000049017_100000210202 [1,1,0,0,0,0|0,0,2]=4 398 B7R0.3 CCC(=O)C=COC 1458a_100016268678_100000210202 [1,1,0,0,0,0|1,0,0]=3 399 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [1,1,0,0,0,0|0,0,2]=4 400 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [1,1,0,0,0,0|1,0,1]=4 401 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [1,1,0,0,0,0|1,0,1]=4 402 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [1,1,0,0,0,0|0,0,1]=3 403 B7R0.3 CCC=CC(=O)CF 1458a_100000212282_100015361967 [1,1,0,0,0,0|1,0,0]=3 404 B7R0.3 CCC=CC(=O)NC 11a_106832991635_100000212282 [1,1,0,0,0,0|1,0,0]=3 405 B7R0.3 CCC=CC(=O)NC 1626a_100102657272_100000212282 [1,1,0,0,0,0|1,0,0]=3 406 B7R0.3 CCC=CC(=O)NC 240690a_100102657272_100000212282 [1,1,0,0,0,0|1,0,0]=3 407 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [1,1,0,0,0,0|0,0,2]=4 408 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [1,1,0,0,0,0|1,0,1]=4 409 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [1,1,0,0,0,0|1,0,1]=4 410 B7R0.3 CCNN=C(C)CO 4a_100000756455_100000211253 [1,1,0,0,0,0|2,0,0]=4 411 B7R0.3 CCNNC(=O)CO 22a_100000756455_100000210174 [1,1,0,0,0,0|2,0,0]=4 412 B7R0.3 CNC(=O)C=COC 1626a_100102657272_100016268678 [1,1,0,0,0,0|2,0,0]=4 413 B7R0.3 CNC(=O)C=COC 240690a_100102657272_100016268678 [1,1,0,0,0,0|2,0,0]=4 414 B7R0.3 COC=CC(=O)CF 1458a_100016268678_100015361967 [1,1,0,0,0,0|2,0,0]=4 415 B7R0.4 C/C=C/C=CC(=O)C 1458a_100000185730_200000210301 [1,1,0,0,0,0|0,0,1]=3 416 B7R0.4 C/C=C/C=CC(=O)[13CH3] 1458a_100000185730_200025704644 [1,1,0,0,0,0|0,0,1]=3 417 B7R0.4 C/C=C/CNC(C)C 34a_100138425928_100102629194 [1,1,0,0,0,0|1,0,1]=4 418 B7R0.4 C/C=C/COC(C)C 34a_100000212225_100102629194 [1,1,0,0,0,0|1,0,1]=4 419 B7R0.4 C/C=C/COC(C)C 34a_100016270725_100000210206 [1,1,0,0,0,0|1,0,1]=4 420 B7R0.4 C/C=C/CSC(C)C 62a_100000210206_100102629194 [1,1,0,0,0,0|1,0,1]=4 421 B7R0.4 C/C=C/CSC(C)C 62a_100102629194_100000210206 [1,1,0,0,0,0|1,0,1]=4 422 B7R0.4 C=C(C)C=NNCC 4a_100000756455_100000210575 [1,1,0,0,0,0|2,0,0]=4 423 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [1,1,0,0,0,0|0,0,1]=3 424 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [1,1,0,0,0,0|0,0,1]=3 425 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [1,1,0,0,0,0|0,0,1]=3 426 B7R0.4 CC/C=C\CN(C)C 2230a_100102631434_100103147603 [1,1,0,0,0,0|1,0,1]=4 427 B7R0.4 CC/C=C\CN(C)C 269982a_100102631434_100103147603 [1,1,0,0,0,0|1,0,1]=4 428 B7R0.4 CC=CCNC(C)C 2230a_100138425928_100000070051 [1,1,0,0,0,0|1,0,1]=4 429 B7R0.4 CC=CCNC(C)C 34a_100138425928_100000070051 [1,1,0,0,0,0|1,0,1]=4 430 B7R0.4 CC=CCOC(C)C 34a_100000212225_100000070051 [1,1,0,0,0,0|1,0,1]=4 431 B7R0.4 CC=CCSC(C)C 62a_100000070051_100000210206 [1,1,0,0,0,0|1,0,1]=4 432 B7R0.4 CC=CCSC(C)C 62a_100000210206_100000070051 [1,1,0,0,0,0|1,0,1]=4 433 B7R0.4 CCC=NNC(=O)C 4a_100000189765_100000210100 [1,1,0,0,0,0|2,0,0]=4 434 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [1,1,0,0,0,0|0,0,1]=3 435 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [1,1,0,0,0,0|0,0,1]=3 436 B7R0.4 CCNCC=C(C)C 2230a_100015525214_100000761012 [1,1,0,0,0,0|1,0,1]=4 437 B7R0.4 CCNCC=C(C)C 34a_100000718196_100000210202 [1,1,0,0,0,0|1,0,1]=4 438 B7R0.4 CCOC=CC(=O)C 1458a_100016266692_200000210301 [1,1,0,0,0,0|1,0,0]=3 439 B7R0.4 CCOC=CC(=O)[13CH3] 1458a_100016266692_200025704644 [1,1,0,0,0,0|1,0,0]=3 440 B7R0.4 CCOCC=C(C)C 34a_100000753907_100000210202 [1,1,0,0,0,0|1,0,1]=4 441 B7R0.4 CCOCC=C(C)C 34a_100121572206_100000761012 [1,1,0,0,0,0|1,0,1]=4 442 B7R0.4 CCSCC=C(C)C 62a_100000210202_100000761012 [1,1,0,0,0,0|1,0,1]=4 443 B7R0.4 CCSCC=C(C)C 62a_100000761012_100000210202 [1,1,0,0,0,0|1,0,1]=4 444 B7R0.4 COCC=CC(=O)C 1458a_100016285016_200000210301 [1,1,0,0,0,0|1,0,1]=4 445 B7R0.4 COCC=CC(=O)[13CH3] 1458a_100016285016_200025704644 [1,1,0,0,0,0|1,0,1]=4 446 B7R0.7 C/C=C/C(C)OCC 34a_200102604097_100000210202 [1,1,0,0,0,0|1,0,1]=4 447 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [1,1,0,0,0,0|0,0,1]=3 448 B7R0.7 CC=CC(=O)CCF 1458a_100000210699_100011217306 [1,1,0,0,0,0|1,0,1]=4 449 B7R0.7 CC=CC(=O)CCO 1458a_100000210699_100000211926 [1,1,0,0,0,0|0,0,1]=3 450 B7R0.7 CC=CC(=O)NCC 11a_100015525214_100000210699 [1,1,0,0,0,0|1,0,0]=3 451 B7R0.7 CC=CC(=O)NCC 240690a_100015525214_100000210699 [1,1,0,0,0,0|1,0,0]=3 452 B7R0.7 CC=CC(=O)NNC 22a_100016993582_100000210699 [1,1,0,0,0,0|2,0,0]=4 453 B7R0.7 CCCC(=O)C=CBr 1458a_100016273825_100000210303 [1,1,0,0,0,0|1,0,1]=4 454 B7R0.7 CCCC(=O)C=CCl 1458a_200016279998_100000210303 [1,1,0,0,0,0|1,0,1]=4 455 B7R0.7 CCCC(=O)C=CI 1458a_100016256311_100000210303 [1,1,0,0,0,0|1,0,1]=4 456 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [1,1,0,0,0,0|0,0,2]=4 457 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [1,1,0,0,0,0|0,0,2]=4 458 B7R0.7 CCNC(=O)C=CBr 240690a_100015525214_100016273825 [1,1,0,0,0,0|2,0,0]=4 459 B7R0.7 CCNC(=O)C=CCl 11a_100015525214_200016279998 [1,1,0,0,0,0|2,0,0]=4 460 B7R0.7 CCNC(=O)C=CCl 240690a_100015525214_200016279998 [1,1,0,0,0,0|2,0,0]=4 461 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [1,1,0,0,0,0|1,0,1]=4 462 B7R0.7 O=C(C=CBr)CCO 1458a_100016273825_100000211926 [1,1,0,0,0,0|1,0,1]=4 463 B7R0.7 O=C(C=CCl)CCO 1458a_200016279998_100000211926 [1,1,0,0,0,0|1,0,1]=4 464 B7R0.7 O=C(C=CI)CCO 1458a_100016256311_100000211926 [1,1,0,0,0,0|1,0,1]=4 465 B9R0.4 CCC=CC(=O)CC(C)C 1458a_100000212282_100000210624 [0,2,0,0,0,0|1,0,1]=4 466 B9R0.4 CCC=CC(=O)CC(C)O 1458a_100000212282_100011218427 [0,2,0,0,0,0|0,0,1]=3 467 B9R0.4 CCC=CC(=O)CC(F)F 1458a_100000212282_100011934356 [0,2,0,0,0,0|1,0,1]=4 468 B9R0.4 CCC=CC(=O)NC(C)C 11a_100138425928_100000212282 [0,2,0,0,0,0|2,0,0]=4 469 B9R0.4 CCC=CC(=O)NC(C)C 1626a_100138425928_100000212282 [0,2,0,0,0,0|2,0,0]=4 470 B9R0.4 CCC=CC(=O)NC(C)C 240690a_100138425928_100000212282 [0,2,0,0,0,0|2,0,0]=4 471 B9R0.4 COC=CC(=O)CC(C)O 1458a_100016268678_100011218427 [0,2,0,0,0,0|1,0,1]=4 472 B9R0.5 C#CCC(=O)C/C=C/CC 1458a_100016274230_100000184674 [0,2,0,0,0,0|1,0,1]=4 473 B9R0.5 C#CCC(=O)C/C=C\CC 1458a_100011220946_100103147603 [0,2,0,0,0,0|1,0,1]=4 474 B9R0.5 C#CCC(=O)C=C/C=C/C 1458a_100000185730_100000184674 [0,2,0,0,0,0|1,0,1]=4 475 B9R0.5 C#CCC(=O)C=CCCC 1458a_100000212230_100000184674 [0,2,0,0,0,0|1,0,1]=4 476 B9R0.5 C#CCC(=O)C=COCC 1458a_100016266692_100000184674 [0,2,0,0,0,0|2,0,0]=4 477 B9R0.5 C/C=C/C=CC(=O)CC#N 1458a_100000185730_100011214920 [0,2,0,0,0,0|1,0,1]=4 478 B9R0.5 C/C=C/C=CC(=O)CCC 1458a_100000185730_100000210303 [0,2,0,0,0,0|1,0,1]=4 479 B9R0.5 C/C=C/C=CC(=O)CCF 1458a_100000185730_100011217306 [0,2,0,0,0,0|1,0,1]=4 480 B9R0.5 C/C=C/C=CC(=O)CCO 1458a_100000185730_100000211926 [0,2,0,0,0,0|0,0,1]=3 481 B9R0.5 C/C=C/C=CC(=O)NCC 11a_100015525214_100000185730 [0,2,0,0,0,0|1,0,1]=4 482 B9R0.5 C/C=C/C=CC(=O)NCC 240690a_100015525214_100000185730 [0,2,0,0,0,0|1,0,1]=4 483 B9R0.5 C=CCC(=O)C/C=C/CC 1458a_100016274230_100000210623 [0,2,0,0,0,0|1,0,1]=4 484 B9R0.5 C=CCC(=O)C/C=C\CC 1458a_100000210193_100103147603 [0,2,0,0,0,0|1,0,1]=4 485 B9R0.5 C=CCC(=O)C=C/C=C/C 1458a_100000185730_100000210623 [0,2,0,0,0,0|1,0,1]=4 486 B9R0.5 C=CCC(=O)C=CCCC 1458a_100000212230_100000210623 [0,2,0,0,0,0|1,0,1]=4 487 B9R0.5 C=CCC(=O)C=COCC 1458a_100016266692_100000210623 [0,2,0,0,0,0|2,0,0]=4 488 B9R0.5 CC/C=C(\C)/C=NNCC 4a_100000756455_100020678925 [0,2,0,0,0,0|2,0,0]=4 489 B9R0.5 CC/C=C/CC(=O)CC#N 1458a_100016274230_100011214920 [0,2,0,0,0,0|1,0,1]=4 490 B9R0.5 CC/C=C/CC(=O)CCC 1458a_100016274230_100000210303 [0,2,0,0,0,0|1,0,1]=4 491 B9R0.5 CC/C=C/CC(=O)CCF 1458a_100016274230_100011217306 [0,2,0,0,0,0|1,0,1]=4 492 B9R0.5 CC/C=C/CC(=O)CCO 1458a_100016274230_100000211926 [0,2,0,0,0,0|0,0,1]=3 493 B9R0.5 CC/C=C/CC(=O)NCC 11a_100015525214_100016274230 [0,2,0,0,0,0|1,0,1]=4 494 B9R0.5 CC/C=C/CC(=O)NCC 240690a_100015525214_100016274230 [0,2,0,0,0,0|1,0,1]=4 495 B9R0.5 CC/C=C/CC(=O)NCC 527a_100015525214_100016274230 [0,2,0,0,0,0|1,0,1]=4 496 B9R0.5 CC/C=C\CC(=O)C=CBr 1458a_100016273825_100103147603 [0,2,0,0,0,0|1,0,1]=4 497 B9R0.5 CC/C=C\CC(=O)C=CCl 1458a_200016279998_100103147603 [0,2,0,0,0,0|1,0,1]=4 498 B9R0.5 CC/C=C\CC(=O)C=CI 1458a_100016256311_100103147603 [0,2,0,0,0,0|1,0,1]=4 499 B9R0.5 CC/C=C\CC(=O)CC#N 1458a_100051588842_100103147603 [0,2,0,0,0,0|1,0,1]=4 500 B9R0.5 CC/C=C\CC(=O)CCC 1458a_100000211992_100103147603 [0,2,0,0,0,0|1,0,1]=4 501 B9R0.5 CC/C=C\CC(=O)CCO 1458a_100011216618_100103147603 [0,2,0,0,0,0|0,0,1]=3 502 B9R0.5 CC/C=C\CC(=O)COC 1458a_100000210968_100103147603 [0,2,0,0,0,0|0,0,1]=3 503 B9R0.5 CC/C=C\CC(=O)CSC 1458a_100000184570_100103147603 [0,2,0,0,0,0|0,1,1]=4 504 B9R0.5 CC/C=C\CN(C)CCO 2230a_100000210263_100103147603 [0,2,0,0,0,0|0,0,2]=4 505 B9R0.5 CC/C=C\CN(C)CCO 269982a_100000210263_100103147603 [0,2,0,0,0,0|0,0,2]=4 506 B9R0.5 CC=CC(=O)C/C=C\CC 1458a_100000210699_100103147603 [0,2,0,0,0,0|1,0,1]=4 507 B9R0.5 CCC=NNC(=O)COC 4a_100000216845_100000210100 [0,2,0,0,0,0|2,0,0]=4 508 B9R0.5 CCCC(=O)C=CCOC 1458a_100016285016_100000210303 [0,2,0,0,0,0|0,0,1]=3 509 B9R0.5 CCCC(=O)C=COCC 1458a_100016266692_100000210303 [0,2,0,0,0,0|1,0,1]=4 510 B9R0.5 CCCC=CC(=O)CC#N 1458a_100000212230_100011214920 [0,2,0,0,0,0|1,0,1]=4 511 B9R0.5 CCCC=CC(=O)CCC 1458a_100000212230_100000210303 [0,2,0,0,0,0|1,0,1]=4 512 B9R0.5 CCCC=CC(=O)CCF 1458a_100000212230_100011217306 [0,2,0,0,0,0|1,0,1]=4 513 B9R0.5 CCCC=CC(=O)CCO 1458a_100000212230_100000211926 [0,2,0,0,0,0|0,0,1]=3 514 B9R0.5 CCCC=CC(=O)NCC 11a_100015525214_100000212230 [0,2,0,0,0,0|1,0,1]=4 515 B9R0.5 CCCC=CC(=O)NCC 240690a_100015525214_100000212230 [0,2,0,0,0,0|1,0,1]=4 516 B9R0.5 CCNC(=O)C=CCOC 11a_100015525214_100016285016 [0,2,0,0,0,0|1,0,0]=3 517 B9R0.5 CCNC(=O)C=CCOC 240690a_100015525214_100016285016 [0,2,0,0,0,0|1,0,0]=3 518 B9R0.5 CCNC(=O)C=COCC 11a_100015525214_100016266692 [0,2,0,0,0,0|2,0,0]=4 519 B9R0.5 CCNC(=O)C=COCC 240690a_100015525214_100016266692 [0,2,0,0,0,0|2,0,0]=4 520 B9R0.5 CCOC(=O)/C=C/CNC 2230a_106832991635_100016267167 [0,2,0,0,0,0|2,0,0]=4 521 B9R0.5 CCOC(=O)/C=C/CNC 34a_100102657272_100016267167 [0,2,0,0,0,0|2,0,0]=4 522 B9R0.5 CCOC(=O)/C=C/CNC 7a_106832991635_100016267167 [0,2,0,0,0,0|2,0,0]=4 523 B9R0.5 CCOC(=O)/C=C/COC 34a_100138415774_100016267167 [0,2,0,0,0,0|1,0,0]=3 524 B9R0.5 CCOC(=O)/C=C/CSC 62a_100016267167_200000210301 [0,2,0,0,0,0|1,1,0]=4 525 B9R0.5 CCOC(=O)/C=C/CSC 62a_200000210301_100016267167 [0,2,0,0,0,0|1,1,0]=4 526 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_100016267167_200025704644 [0,2,0,0,0,0|1,1,0]=4 527 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_200025704644_100016267167 [0,2,0,0,0,0|1,1,0]=4 528 B9R0.5 CCOC=CC(=O)CC#N 1458a_100016266692_100011214920 [0,2,0,0,0,0|2,0,0]=4 529 B9R0.5 CCOC=CC(=O)CCF 1458a_100016266692_100011217306 [0,2,0,0,0,0|1,0,1]=4 530 B9R0.5 CCOC=CC(=O)CCO 1458a_100016266692_100000211926 [0,2,0,0,0,0|0,0,1]=3 531 B9R0.5 CNNC(=O)C=CCOC 22a_100016993582_100016285016 [0,2,0,0,0,0|2,0,0]=4 532 B9R0.5 COCC=CC(=O)CCF 1458a_100016285016_100011217306 [0,2,0,0,0,0|1,0,1]=4 533 B9R0.5 COCC=CC(=O)CCO 1458a_100016285016_100000211926 [0,2,0,0,0,0|0,0,1]=3 534 B9R0.8 C=C(CO)C(=O)NNCC 22a_100000756455_200000705526 [0,2,0,0,0,0|2,0,0]=4 535 B9R0.8 CCC/C=C(\C)/C(=O)CC 1458a_200020648666_100000210202 [0,2,0,0,0,0|1,0,1]=4 536 B9R0.8 CCC/C=C(\C)/C(=O)CF 1458a_200020648666_100015361967 [0,2,0,0,0,0|1,0,1]=4 537 B9R0.8 CCC=CC(=O)C(C)CC 1458a_100000212282_100000758301 [0,2,0,0,0,0|1,0,1]=4 538 B9R0.8 CCC=CC(=O)N(C)CC 11a_100000225621_100000212282 [0,2,0,0,0,0|2,0,0]=4 539 B9R0.8 CCC=CC(=O)N(C)CC 1626a_100000225621_100000212282 [0,2,0,0,0,0|2,0,0]=4 540 B9R0.8 CCC=CC(=O)N(C)CC 240690a_100000225621_100000212282 [0,2,0,0,0,0|2,0,0]=4 541 B9R0.18 C#CCCC(=O)C=CCC 1458a_100000212282_100000753159 [0,2,0,0,0,0|1,0,1]=4 542 B9R0.18 C#CCNC(=O)C=CCC 11a_100000212058_100000212282 [0,2,0,0,0,0|2,0,0]=4 543 B9R0.18 C#CCNC(=O)C=CCC 1626a_100000212058_100000212282 [0,2,0,0,0,0|2,0,0]=4 544 B9R0.18 C#CCNC(=O)C=CCC 240690a_100000212058_100000212282 [0,2,0,0,0,0|2,0,0]=4 545 B9R0.18 C/C=C/CC(=O)C=CCC 1458a_100000212282_100102629194 [0,2,0,0,0,0|1,0,1]=4 546 B9R0.18 C=CCCC(=O)C=CCC 1458a_100000212282_100000754431 [0,2,0,0,0,0|1,0,1]=4 547 B9R0.18 C=CCNC(=O)C=CCC 1626a_100020586998_100000212282 [0,2,0,0,0,0|2,0,0]=4 548 B9R0.18 C=CCNC(=O)C=CCC 240690a_100020586998_100000212282 [0,2,0,0,0,0|2,0,0]=4 549 B9R0.18 CC=CCC(=O)C=CCC 1458a_100000212282_100000070051 [0,2,0,0,0,0|1,0,1]=4 550 B9R0.18 CCC=CC(=O)CCC#N 1458a_100000212282_100011215226 [0,2,0,0,0,0|1,0,1]=4 551 B9R0.18 CCC=CC(=O)CCCC 1458a_100000212282_100000210211 [0,2,0,0,0,0|1,0,1]=4 552 B9R0.18 CCC=CC(=O)CCCF 1458a_100000212282_100011934791 [0,2,0,0,0,0|1,0,1]=4 553 B9R0.18 CCC=CC(=O)CCCO 1458a_100000212282_100011215043 [0,2,0,0,0,0|0,0,1]=3 554 B9R0.18 CCC=CC(=O)CCOC 1458a_100000212282_100000233755 [0,2,0,0,0,0|0,0,1]=3 555 B9R0.18 CCC=CC(=O)CCSC 1458a_100000212282_100000751147 [0,2,0,0,0,0|0,1,1]=4 556 B9R0.18 CCC=CC(=O)NCC#N 1626a_100000734998_100000212282 [0,2,0,0,0,0|2,0,0]=4 557 B9R0.18 CCC=CC(=O)NCCC 11a_100020643023_100000212282 [0,2,0,0,0,0|1,0,1]=4 558 B9R0.18 CCC=CC(=O)NCCC 1626a_100020643023_100000212282 [0,2,0,0,0,0|1,0,1]=4 559 B9R0.18 CCC=CC(=O)NCCC 240690a_100020643023_100000212282 [0,2,0,0,0,0|1,0,1]=4 560 B9R0.18 CCC=CC(=O)NCCF 11a_100000724931_100000212282 [0,2,0,0,0,0|1,0,1]=4 561 B9R0.18 CCC=CC(=O)NCCF 1626a_100000724931_100000212282 [0,2,0,0,0,0|1,0,1]=4 562 B9R0.18 CCC=CC(=O)NCCF 240690a_100000724931_100000212282 [0,2,0,0,0,0|1,0,1]=4 563 B9R0.18 CCC=CC(=O)NCCO 240690a_100000210304_100000212282 [0,2,0,0,0,0|0,0,1]=3 564 B9R0.18 CCC=CC(=O)NNCC 22a_100000756455_100000212282 [0,2,0,0,0,0|2,0,0]=4 565 B9R0.18 COC=CC(=O)CCCO 1458a_100016268678_100011215043 [0,2,0,0,0,0|1,0,1]=4 566 B9R0.18 COC=CC(=O)CCOC 1458a_100016268678_100000233755 [0,2,0,0,0,0|1,0,1]=4 567 B9R0.18 COC=CC(=O)NCCO 240690a_100000210304_100016268678 [0,2,0,0,0,0|1,0,1]=4 568 B9R0.34 CCC(=CC(=O)CCF)C 1458a_100020758463_100011217306 [0,2,0,0,0,0|1,0,1]=4 569 B9R0.34 CCC(=CC(=O)CCO)C 1458a_100020758463_100000211926 [0,2,0,0,0,0|0,0,1]=3 570 B9R0.34 CCC(=O)CC(=O)CCO 1458a_100011216618_100000747405 [0,2,0,0,0,0|0,0,2]=4 571 B9R0.34 CCC(=O)CC(=O)NCO 1458a_100000210414_100000185155 [0,2,0,0,0,0|1,0,1]=4 572 B9R0.34 CCCC(=CC(=O)CC)C 1458a_100020676950_100000210202 [0,2,0,0,0,0|1,0,1]=4 573 B9R0.34 CCCC(=CC(=O)CF)C 1458a_100020676950_100015361967 [0,2,0,0,0,0|1,0,1]=4 574 B9R0.34 CCCC(=O)C=C(C)CC 1458a_100020758463_100000210303 [0,2,0,0,0,0|1,0,1]=4 575 B9R0.34 CCCC(=O)CC(=O)CO 1458a_100000210174_100000747444 [0,2,0,0,0,0|0,0,2]=4 576 B9R0.34 CCNC(=O)C=C(C)CC 11a_100015525214_100020758463 [0,2,0,0,0,0|2,0,0]=4 577 B9R0.34 CCNC(=O)C=C(C)CC 240690a_100015525214_100020758463 [0,2,0,0,0,0|2,0,0]=4 578 B9R0.34 CCNC(=O)CC(=O)CO 1458a_100000210174_100000183381 [0,2,0,0,0,0|1,0,1]=4 579 B9R0.34 CCOC(=O)CC(=O)CO 1458a_100000210174_100000188475 [0,2,0,0,0,0|1,0,1]=4 580 B9R0.35 CC/C=C(\C)/C(=O)CCC 1458a_100016988807_100000210303 [0,2,0,0,0,0|1,0,1]=4 581 B9R0.35 CC/C=C(\C)/C(=O)CCF 1458a_100016988807_100011217306 [0,2,0,0,0,0|1,0,1]=4 582 B9R0.35 CC/C=C(\C)/C(=O)CCO 1458a_100016988807_100000211926 [0,2,0,0,0,0|0,0,1]=3 583 B9R0.35 CC/C=C(\C)/C(=O)NCC 11a_100015525214_100016988807 [0,2,0,0,0,0|2,0,0]=4 584 B9R0.35 CC/C=C(\C)/C(=O)NCC 240690a_100015525214_100016988807 [0,2,0,0,0,0|2,0,0]=4 585 B9R0.35 CC/C=C(\C)/C(=O)NCC 527a_100015525214_100016988807 [0,2,0,0,0,0|2,0,0]=4 586 B9R0.35 CCNC(=O)C(=O)CCO 1458a_200011297158_100000211926 [0,2,0,0,0,0|1,0,1]=4 587 B9R0.48 CC(C)C=CC(=O)CCF 1458a_100016268746_100011217306 [0,2,0,0,0,0|1,0,1]=4 588 B9R0.48 CC(C)C=CC(=O)CCO 1458a_100016268746_100000211926 [0,2,0,0,0,0|0,0,1]=3 589 B9R0.48 CCCC(=O)C=CC(C)C 1458a_100016268746_100000210303 [0,2,0,0,0,0|1,0,1]=4 590 B9R0.48 CCNC(=O)C=CC(C)C 11a_100015525214_100016268746 [0,2,0,0,0,0|2,0,0]=4 591 B9R0.48 CCNC(=O)C=CC(C)C 240690a_100015525214_100016268746 [0,2,0,0,0,0|2,0,0]=4 592 B9R0.2 CC/C=C\CNCC(=O)O 269956a_100016091260_100103147603 [0,2,0,0,0,0|1,0,1]=4 593 B9R0.2 CC/C=C\CNCC(C)O 2230a_100000210904_100103147603 [0,2,0,0,0,0|0,0,2]=4 594 B9R0.2 CC/C=C\CNCC(C)O 34a_100000210904_100103147603 [0,2,0,0,0,0|0,0,2]=4 595 B9R0.2 CC/C=C\COCC(C)O 34a_100016268518_100011218427 [0,2,0,0,0,0|0,0,2]=4 596 B9R0.2 CC/C=C\COC[C@@H](C)O 34a_100016268518_100009817552 [0,2,0,0,0,0|0,0,2]=4 597 B9R0.2 CC/C=C\CSCC(C)O 62a_100011218427_100103147603 [0,2,0,0,0,0|0,0,2]=4 598 B9R0.2 CC/C=C\CSCC(C)O 62a_100103147603_100011218427 [0,2,0,0,0,0|0,0,2]=4 599 B9R0.2 CC/C=C\CSC[C@@H](C)O 62a_100009817552_100103147603 [0,2,0,0,0,0|0,0,2]=4 600 B9R0.2 CC/C=C\CSC[C@@H](C)O 62a_100103147603_100009817552 [0,2,0,0,0,0|0,0,2]=4 601 B9R0.2 CCC/C=C/C=CC(=O)C 1458a_200016258893_200000210301 [0,2,0,0,0,0|0,0,2]=4 602 B9R0.2 CCC/C=C/C=CC(=O)[13CH3] 1458a_200016258893_200025704644 [0,2,0,0,0,0|0,0,2]=4 603 B9R0.2 CCC=CC=NNC(C)C 4a_100000741168_100011216943 [0,2,0,0,0,0|2,0,0]=4 604 B9R0.45 C/C=C/C=C/COCCO 34a_100016283227_100000211926 [0,2,0,0,0,0|0,0,2]=4 605 B9R0.45 CC/C=C/CCCOCC 34a_100016287902_100000210202 [0,2,0,0,0,0|0,0,2]=4 606 B9R0.45 CC/C=C/CCCOCC 7a_100016287902_100000210202 [0,2,0,0,0,0|0,0,2]=4 607 B9R0.45 CC/C=C/CCCOCF 34a_100016287902_100015361967 [0,2,0,0,0,0|0,0,2]=4 608 B9R0.45 CC/C=C/CCCOCF 7a_100016287902_100015361967 [0,2,0,0,0,0|0,0,2]=4 609 B9R0.45 CC/C=C\CCCCOC 34a_100016287862_200000210301 [0,2,0,0,0,0|0,0,2]=4 610 B9R0.45 CC/C=C\CCCCOC 7a_100016287862_200000210301 [0,2,0,0,0,0|0,0,2]=4 611 B9R0.45 CC/C=C\CCCCO[13CH3] 34a_100016287862_200025704644 [0,2,0,0,0,0|0,0,2]=4 612 B9R0.45 CC/C=C\CCCCO[13CH3] 7a_100016287862_200025704644 [0,2,0,0,0,0|0,0,2]=4 613 B9R0.45 CC/C=C\CCNCCO 2230a_100016997473_100015370543 [0,2,0,0,0,0|0,0,2]=4 614 B9R0.45 CC/C=C\CCNCCO 34a_100016990907_100015370543 [0,2,0,0,0,0|0,0,2]=4 615 B9R0.45 CC/C=C\CCOCCO 34a_100016288707_100000211926 [0,2,0,0,0,0|0,0,2]=4 616 B9R0.45 CC/C=C\CCOCCO 7a_100016288707_100000211926 [0,2,0,0,0,0|0,0,2]=4 617 B9R0.45 CC/C=C\CCSCCO 62a_100000211926_100015370543 [0,2,0,0,0,0|0,0,2]=4 618 B9R0.45 CC/C=C\CCSCCO 62a_100015370543_100000211926 [0,2,0,0,0,0|0,0,2]=4 619 B9R0.45 CC/C=C\CCSCOC 62a_100000766300_100015370543 [0,2,0,0,0,0|0,0,2]=4 620 B9R0.45 CC/C=C\CCSCOC 62a_100015370543_100000766300 [0,2,0,0,0,0|0,0,2]=4 621 B9R0.45 CC/C=C\CNCCOC 2230a_100000209980_100103147603 [0,2,0,0,0,0|0,0,2]=4 622 B9R0.45 CC/C=C\COCCCO 34a_100016268518_100000230001 [0,2,0,0,0,0|0,0,2]=4 623 B9R0.45 CC/C=C\COCCOC 34a_100000210237_100103147603 [0,2,0,0,0,0|0,0,2]=4 624 B9R0.45 CC/C=C\COCCOC 34a_100016268518_100011201679 [0,2,0,0,0,0|0,0,2]=4 625 B9R0.45 CC/C=C\COCCON 34a_100000700252_100103147603 [0,2,0,0,0,0|0,0,2]=4 626 B9R0.45 CC/C=C\CSCCCO 62a_100011215043_100103147603 [0,2,0,0,0,0|0,0,2]=4 627 B9R0.45 CC/C=C\CSCCCO 62a_100103147603_100011215043 [0,2,0,0,0,0|0,0,2]=4 628 B9R0.45 CC/C=C\CSCCOC 62a_100000233755_100103147603 [0,2,0,0,0,0|0,0,2]=4 629 B9R0.45 CC/C=C\CSCCOC 62a_100103147603_100000233755 [0,2,0,0,0,0|0,0,2]=4 630 B9R0.45 CC/C=C\CSCOCC 62a_100000739092_100103147603 [0,2,0,0,0,0|1,0,1]=4 631 B9R0.45 CC/C=C\CSCOCC 62a_100103147603_100000739092 [0,2,0,0,0,0|1,0,1]=4 632 B9R0.45 CC=CC=CC=NNCC 4a_100000756455_100000691131 [0,2,0,0,0,0|1,0,1]=4 633 B9R0.45 CCC/C=C/C=C/COC 34a_100016294078_200000210301 [0,2,0,0,0,0|0,0,0]=2 634 B9R0.45 CCC/C=C/C=C/CO[13CH3] 34a_100016294078_200025704644 [0,2,0,0,0,0|0,0,0]=2 635 B9R0.45 CCC/C=C/COCCO 34a_100016278788_100000211926 [0,2,0,0,0,0|0,0,2]=4 636 B9R0.45 CCC/C=C/COCCO 7a_100016278788_100000211926 [0,2,0,0,0,0|0,0,2]=4 637 B9R0.45 CCC=CC=NNCCC 4a_100000740057_100011216943 [0,2,0,0,0,0|1,0,1]=4 638 B9R0.45 CCC=CC=NNCCO 4a_100000210001_100011216943 [0,2,0,0,0,0|0,0,1]=3 639 B9R0.45 CCCC/C=C/COCC 34a_200016272032_100000210202 [0,2,0,0,0,0|0,0,2]=4 640 B9R0.45 CCCC/C=C/COCC 7a_200016272032_100000210202 [0,2,0,0,0,0|0,0,2]=4 641 B9R0.45 CCCC/C=C/COCF 34a_200016272032_100015361967 [0,2,0,0,0,0|0,0,2]=4 642 B9R0.45 CCCC/C=C/COCF 7a_200016272032_100015361967 [0,2,0,0,0,0|0,0,2]=4 643 B9R0.45 CCCC/C=C\CCOC 34a_200016286491_200000210301 [0,2,0,0,0,0|0,0,2]=4 644 B9R0.45 CCCC/C=C\CCOC 7a_200016286491_200000210301 [0,2,0,0,0,0|0,0,2]=4 645 B9R0.45 CCCC/C=C\CCO[13CH3] 34a_200016286491_200025704644 [0,2,0,0,0,0|0,0,2]=4 646 B9R0.45 CCCC/C=C\CCO[13CH3] 7a_200016286491_200025704644 [0,2,0,0,0,0|0,0,2]=4 647 B9R0.45 CCCC=CC=NNCC 4a_100000756455_100016266791 [0,2,0,0,0,0|1,0,1]=4 648 B9R0.45 CCCCC/C=C/COC 34a_100016258190_200000210301 [0,2,0,0,0,0|0,0,2]=4 649 B9R0.45 CCCCC/C=C/COC 7a_100016258190_200000210301 [0,2,0,0,0,0|0,0,2]=4 650 B9R0.45 CCCCC/C=C/CO[13CH3] 34a_100016258190_200025704644 [0,2,0,0,0,0|0,0,2]=4 651 B9R0.45 CCCCC/C=C/CO[13CH3] 7a_100016258190_200025704644 [0,2,0,0,0,0|0,0,2]=4 652 B9R0.46 CC/C=C\CCC(=O)CC 1458a_100000210414_100015370543 [0,2,0,0,0,0|1,0,1]=4 653 B9R0.46 CC/C=C\CCC(=O)CO 1458a_100000210174_100015370543 [0,2,0,0,0,0|0,0,1]=3 654 B9R0.46 CC/C=C\CN[C@H](C)CO 2230a_100000737577_100103147603 [0,2,0,0,0,0|0,0,2]=4 655 B9R0.46 CC/C=C\COC(C)CO 34a_100016268518_100012180447 [0,2,0,0,0,0|0,0,2]=4 656 B9R0.46 CC/C=C\CSC(C)CO 62a_100012180447_100103147603 [0,2,0,0,0,0|0,0,2]=4 657 B9R0.46 CC/C=C\CSC(C)OC 62a_100009879195_100103147603 [0,2,0,0,0,0|1,0,1]=4 658 B9R0.46 CC/C=C\CSC(C)OC 62a_100103147603_100009879195 [0,2,0,0,0,0|1,0,1]=4 659 B9R0.46 CC/C=C\CS[C@H](C)CO 62a_100016084084_100103147603 [0,2,0,0,0,0|0,0,2]=4 660 B9R0.46 CC/C=C\CS[C@H](C)CO 62a_100103147603_100016084084 [0,2,0,0,0,0|0,0,2]=4 661 B9R0.46 CCC/C=C/CC(=O)CC 1458a_200016266809_100000210202 [0,2,0,0,0,0|1,0,1]=4 662 B9R0.46 CCC/C=C/CC(=O)CF 1458a_200016266809_100015361967 [0,2,0,0,0,0|1,0,1]=4 663 B9R0.46 CCCCC=CC(=O)CC 1458a_100016266645_100000210202 [0,2,0,0,0,0|1,0,1]=4 664 B9R0.46 CCCCC=CC(=O)CF 1458a_100016266645_100015361967 [0,2,0,0,0,0|1,0,1]=4 665 B9R0.1 CC(C)/C=C/CC(=O)CF 1458a_100016292215_100015361967 [0,2,0,0,0,0|1,0,1]=4 666 B9R0.1 CCC(=O)C/C=C/B(O)O 1458a_100000210414_100016262062 [0,2,0,0,0,0|1,0,1]=4 667 B9R0.1 CCC(=O)C/C=C/C(C)C 1458a_100016292215_100000210202 [0,2,0,0,0,0|1,0,1]=4 668 B9R0.24 CC=C(C)C=CC(=O)CC 1458a_100000692105_100000210202 [0,2,0,0,0,0|1,0,1]=4 669 B9R0.24 CC=C(C)C=CC(=O)CF 1458a_100000692105_100015361967 [0,2,0,0,0,0|1,0,1]=4 670 B9R0.24 CCC(=O)C=CC(=O)NC 1458a_100016259477_100000210202 [0,2,0,0,0,0|2,0,0]=4 671 B9R0.24 CCC(=O)NN=C(C)CO 4a_100000183195_100000211253 [0,2,0,0,0,0|2,0,0]=4 672 B9R0.24 CCC(=O)NNC(=O)CO 22a_100000183195_100000210174 [0,2,0,0,0,0|2,0,0]=4 673 B9R0.24 CNC(=O)C=CC(=O)CF 1458a_100016259477_100015361967 [0,2,0,0,0,0|2,0,0]=4 674 B9R0.47 C/C=C/C=CC(=O)C(C)C 1458a_100000185730_100000210206 [0,2,0,0,0,0|1,0,1]=4 675 B9R0.47 CC/C=C/CC(=O)C(C)C 1458a_100016274230_100000210206 [0,2,0,0,0,0|1,0,1]=4 676 B9R0.47 CC/C=C\CC(=O)C(C)C 1458a_100000210198_100103147603 [0,2,0,0,0,0|1,0,1]=4 677 B9R0.47 CC/C=C\CC(=O)C(C)F 1458a_100000062450_100103147603 [0,2,0,0,0,0|1,0,1]=4 678 B9R0.47 CC/C=C\CC(=O)C(O)O 1458a_100000233687_100103147603 [0,2,0,0,0,0|0,0,1]=3 679 B9R0.47 CC/C=C\CC(=O)[C@@H](C)O 1458a_100000717761_100103147603 [0,2,0,0,0,0|0,0,1]=3 680 B9R0.47 CC/C=C\CC(=O)[C@H](C)O 1458a_217856618621_100103147603 [0,2,0,0,0,0|0,0,1]=3 681 B9R0.47 CCCC=CC(=O)C(C)C 1458a_100000212230_100000210206 [0,2,0,0,0,0|1,0,1]=4 682 B9R0.47 CCOC=CC(=O)C(C)C 1458a_100016266692_100000210206 [0,2,0,0,0,0|2,0,0]=4 683 B7R1.1 C=Cc1ccco1 271570a_100011290941_100009814098 [1,0,0,1,0,0|0,0,2]=4 684 B7R1.1 CCN1CC=CC1 269982a_100015195280_100000204670 [1,0,0,1,0,0|1,0,1]=4 685 B7R1.1 CSc1ccco1 62a_100009814098_200000210301 [1,0,0,1,0,0|1,0,0]=3 686 B7R1.1 CSc1ccco1 62a_200000210301_100009814098 [1,0,0,1,0,0|1,0,0]=3 687 B7R1.1 CSc1cccs1 62a_100011215356_200000210301 [1,0,0,1,0,0|1,1,0]=4 688 B7R1.1 CSc1cccs1 62a_200000210301_100011215356 [1,0,0,1,0,0|1,1,0]=4 689 B7R1.1 CSc1cnco1 62a_100020591547_200000210301 [1,0,0,1,0,0|2,0,0]=4 690 B7R1.1 CSc1cnco1 62a_200000210301_100020591547 [1,0,0,1,0,0|2,0,0]=4 691 B7R1.1 CSc1ncco1 62a_100011787736_200000210301 [1,0,0,1,0,0|2,0,0]=4 692 B7R1.1 CSc1ncco1 62a_200000210301_100011787736 [1,0,0,1,0,0|2,0,0]=4 693 B7R1.1 [13CH3]Sc1ccco1 62a_100009814098_200025704644 [1,0,0,1,0,0|1,0,0]=3 694 B7R1.1 [13CH3]Sc1ccco1 62a_200025704644_100009814098 [1,0,0,1,0,0|1,0,0]=3 695 B7R1.1 [13CH3]Sc1cccs1 62a_100011215356_200025704644 [1,0,0,1,0,0|1,1,0]=4 696 B7R1.1 [13CH3]Sc1cccs1 62a_200025704644_100011215356 [1,0,0,1,0,0|1,1,0]=4 697 B7R1.1 [13CH3]Sc1cnco1 62a_100020591547_200025704644 [1,0,0,1,0,0|2,0,0]=4 698 B7R1.1 [13CH3]Sc1cnco1 62a_200025704644_100020591547 [1,0,0,1,0,0|2,0,0]=4 699 B7R1.1 [13CH3]Sc1ncco1 62a_100011787736_200025704644 [1,0,0,1,0,0|2,0,0]=4 700 B7R1.1 [13CH3]Sc1ncco1 62a_200025704644_100011787736 [1,0,0,1,0,0|2,0,0]=4 701 B7R1.3 CN1CC=CCC1 2230a_100000698166_200000210301 [1,0,0,1,0,0|1,0,1]=4 702 B7R1.3 CN1CC=CCC1 269982a_100000698166_200000210301 [1,0,0,1,0,0|1,0,1]=4 703 B7R1.3 CN1CC=CCC1 34a_100000698166_200000210301 [1,0,0,1,0,0|1,0,1]=4 704 B7R1.3 Oc1ccccc1 271570a_203496583355_100000210277 [1,0,0,1,0,0|0,0,2]=4 705 B7R1.3 Oc1ccccn1 271570a_203496583355_100011216584 [1,0,0,1,0,0|1,0,1]=4 706 B7R1.3 Oc1cccnc1 271570a_203496583355_100000752921 [1,0,0,1,0,0|1,0,1]=4 707 B7R1.3 Oc1cccnn1 271570a_203496583355_100016991348 [1,0,0,1,0,0|2,0,0]=4 708 B7R1.3 [13CH3]N1CC=CCC1 2230a_100000698166_200025704644 [1,0,0,1,0,0|1,0,1]=4 709 B7R1.3 [13CH3]N1CC=CCC1 269982a_100000698166_200025704644 [1,0,0,1,0,0|1,0,1]=4 710 B7R1.3 [13CH3]N1CC=CCC1 34a_100000698166_200025704644 [1,0,0,1,0,0|1,0,1]=4 711 B7R1.4 Cc1ccsc1O 271570a_203496583355_100000742657 [1,0,0,1,0,0|1,0,1]=4 712 B7R1.4 Cc1cscc1O 271570a_203496583355_100000759966 [1,0,0,1,0,0|1,0,1]=4 713 B7R1.4 Cc1sccc1O 271570a_203496583355_100000684487 [1,0,0,1,0,0|1,0,1]=4 714 B7R1.4 Cn1ccnc1O 271570a_203496583355_100000707724 [1,0,0,1,0,0|2,0,0]=4 715 B7R1.4 Cn1cncc1O 271570a_203496583355_100009814087 [1,0,0,1,0,0|2,0,0]=4 716 B7R1.4 Cn1nccc1O 271570a_203496583355_100000688441 [1,0,0,1,0,0|2,0,0]=4 717 B9R1.2 CCc1cc(ccn1)O 271570a_203496583355_100009820011 [0,1,0,1,0,0|1,0,1]=4 718 B9R1.2 CCc1cccc(c1)O 271570a_203496583355_100000684523 [0,1,0,1,0,0|0,0,1]=3 719 B9R1.2 CCc1cccc(n1)O 271570a_203496583355_100009856026 [0,1,0,1,0,0|0,0,1]=3 720 B9R1.2 CCc1ccnc(c1)O 271570a_203496583355_100009817561 [0,1,0,1,0,0|1,0,1]=4 721 B9R1.2 CCc1ccnc(n1)O 271570a_203496583355_100000100215 [0,1,0,1,0,0|1,0,1]=4 722 B9R1.2 CCc1cncc(c1)O 271570a_203496583355_200009819073 [0,1,0,1,0,0|1,0,1]=4 723 B9R1.2 CNc1cccc(c1)O 271570a_203496583355_100000219648 [0,1,0,1,0,0|1,0,1]=4 724 B9R1.2 CNc1cccc(c1)O 34a_100000210217_200000210301 [0,1,0,1,0,0|1,0,1]=4 725 B9R1.2 CNc1cccc(n1)O 271570a_203496583355_100000703281 [0,1,0,1,0,0|1,0,1]=4 726 B9R1.2 COc1cccc(c1)O 271570a_203496583355_100000170001 [0,1,0,1,0,0|1,0,1]=4 727 B9R1.2 COc1cccc(n1)O 271570a_203496583355_100000760917 [0,1,0,1,0,0|1,0,1]=4 728 B9R1.2 CSc1cccc(c1)O 271570a_203496583355_100011215954 [0,1,0,1,0,0|1,0,1]=4 729 B9R1.2 CSc1cccc(c1)O 62a_200000210301_100000211634 [0,1,0,1,0,0|1,0,1]=4 730 B9R1.2 CSc1cccc(n1)O 271570a_203496583355_100011960944 [0,1,0,1,0,0|1,0,1]=4 731 B9R1.2 NCc1cccc(c1)O 271570a_203496583355_100000106179 [0,1,0,1,0,0|1,0,1]=4 732 B9R1.2 NCc1cccc(n1)O 271570a_203496583355_100016990191 [0,1,0,1,0,0|1,0,1]=4 733 B9R1.2 OCc1cc(ccn1)O 271570a_203496583355_100009819072 [0,1,0,1,0,0|1,0,1]=4 734 B9R1.2 OCc1cccc(c1)O 271570a_203496583355_100000687537 [0,1,0,1,0,0|0,0,2]=4 735 B9R1.2 OCc1cccc(n1)O 271570a_203496583355_100000694195 [0,1,0,1,0,0|1,0,1]=4 736 B9R1.2 OCc1cncc(c1)O 271570a_203496583355_100011259137 [0,1,0,1,0,0|1,0,1]=4 737 B9R1.2 Oc1cccc(c1)CF 271570a_203496583355_100010878472 [0,1,0,1,0,0|1,0,1]=4 738 B9R1.2 [13CH3]Nc1cccc(c1)O 34a_100000210217_200025704644 [0,1,0,1,0,0|1,0,1]=4 739 B9R1.2 [13CH3]Sc1cccc(c1)O 62a_200025704644_100000211634 [0,1,0,1,0,0|1,0,1]=4 740 B9R1.7 CCCc1ccc(s1)O 271570a_203496583355_100010157708 [0,1,0,1,0,0|0,0,2]=4 741 B9R1.8 CCNc1ccccc1 34a_100000106764_100000210202 [0,1,0,1,0,0|1,0,1]=4 742 B9R1.8 CCNc1cccnn1 27a_100015525214_100016991348 [0,1,0,1,0,0|2,0,0]=4 743 B9R1.8 CCOc1ccccc1 34a_100000210340_100000210202 [0,1,0,1,0,0|1,0,1]=4 744 B9R1.8 CCOc1ccccc1 7a_100000210340_100000210202 [0,1,0,1,0,0|1,0,1]=4 745 B9R1.8 CCOc1cccnc1 34a_100000210849_100000210202 [0,1,0,1,0,0|2,0,0]=4 746 B9R1.8 CCOc1cccnc1 7a_100000210849_100000210202 [0,1,0,1,0,0|2,0,0]=4 747 B9R1.8 CCSc1ccccc1 62a_100000210202_100000041952 [0,1,0,1,0,0|1,0,1]=4 748 B9R1.8 CCSc1ccccc1 62a_100000719477_100000210202 [0,1,0,1,0,0|1,0,1]=4 749 B9R1.8 CCSc1ccccn1 62a_100000210202_100011216584 [0,1,0,1,0,0|1,0,1]=4 750 B9R1.8 CCSc1ccccn1 62a_100011216584_100000210202 [0,1,0,1,0,0|1,0,1]=4 751 B9R1.8 CCSc1cccnc1 62a_100000210063_100000210202 [0,1,0,1,0,0|2,0,0]=4 752 B9R1.8 CCSc1cccnc1 62a_100000210202_100000210063 [0,1,0,1,0,0|2,0,0]=4 753 B9R1.8 CCSc1cccnn1 62a_100000210202_100016991348 [0,1,0,1,0,0|2,0,0]=4 754 B9R1.8 CCSc1cccnn1 62a_100016991348_100000210202 [0,1,0,1,0,0|2,0,0]=4 755 B9R1.8 CNCc1ccccc1 207a_100102657272_100015611070 [0,1,0,1,0,0|1,0,1]=4 756 B9R1.8 CNCc1ccccc1 2230a_100015324214_200000210301 [0,1,0,1,0,0|1,0,1]=4 757 B9R1.8 CNCc1ccccc1 2230a_106832991635_100015291786 [0,1,0,1,0,0|1,0,1]=4 758 B9R1.8 CNCc1ccccc1 270004a_106832991635_100015611070 [0,1,0,1,0,0|1,0,1]=4 759 B9R1.8 CNCc1ccccc1 34a_100015324214_200000210301 [0,1,0,1,0,0|1,0,1]=4 760 B9R1.8 CNCc1ccccc1 34a_100102657272_100015291786 [0,1,0,1,0,0|1,0,1]=4 761 B9R1.8 CNCc1ccccc1 7a_106832991635_100000211182 [0,1,0,1,0,0|1,0,1]=4 762 B9R1.8 CNCc1ccccn1 207a_100102657272_100000209966 [0,1,0,1,0,0|1,0,1]=4 763 B9R1.8 CNCc1ccccn1 2230a_106832991635_100000721315 [0,1,0,1,0,0|1,0,1]=4 764 B9R1.8 CNCc1ccccn1 270004a_106832991635_100000209966 [0,1,0,1,0,0|1,0,1]=4 765 B9R1.8 CNCc1ccccn1 34a_100102657272_100000721315 [0,1,0,1,0,0|1,0,1]=4 766 B9R1.8 CNCc1ccccn1 7a_106832991635_100000721315 [0,1,0,1,0,0|1,0,1]=4 767 B9R1.8 CNCc1cccnc1 207a_100102657272_100000209961 [0,1,0,1,0,0|2,0,0]=4 768 B9R1.8 CNCc1cccnc1 2230a_106832991635_100000741622 [0,1,0,1,0,0|2,0,0]=4 769 B9R1.8 CNCc1cccnc1 270004a_106832991635_100000209961 [0,1,0,1,0,0|2,0,0]=4 770 B9R1.8 CNCc1cccnc1 34a_100102657272_100000733263 [0,1,0,1,0,0|2,0,0]=4 771 B9R1.8 CNCc1cccnc1 7a_106832991635_100000741622 [0,1,0,1,0,0|2,0,0]=4 772 B9R1.8 CNCc1cccnn1 2230a_100159270163_200000210301 [0,1,0,1,0,0|2,0,0]=4 773 B9R1.8 CNCc1cccnn1 2230a_106832991635_100016990269 [0,1,0,1,0,0|2,0,0]=4 774 B9R1.8 CNCc1cccnn1 34a_100102657272_100016990269 [0,1,0,1,0,0|2,0,0]=4 775 B9R1.8 CNCc1cccnn1 7a_106832991635_100016990269 [0,1,0,1,0,0|2,0,0]=4 776 B9R1.8 COCC1CC=CCC1 34a_100000210713_200000210301 [0,1,0,1,0,0|0,0,2]=4 777 B9R1.8 COCC1CCC=CO1 34a_100011217868_200000210301 [0,1,0,1,0,0|1,0,1]=4 778 B9R1.8 COCN1CC=CCC1 2230a_100000698166_100000766300 [0,1,0,1,0,0|1,0,1]=4 779 B9R1.8 COCN1CC=CCC1 269982a_100000698166_100000766300 [0,1,0,1,0,0|1,0,1]=4 780 B9R1.8 COCc1ccccc1 34a_100000210790_200000210301 [0,1,0,1,0,0|0,0,2]=4 781 B9R1.8 COCc1ccccc1 34a_100138415774_100015291786 [0,1,0,1,0,0|0,0,2]=4 782 B9R1.8 COCc1ccccc1 7a_100000210790_200000210301 [0,1,0,1,0,0|0,0,2]=4 783 B9R1.8 COCc1ccccn1 34a_100138415774_100000721315 [0,1,0,1,0,0|1,0,1]=4 784 B9R1.8 COCc1cccnc1 34a_100138415774_100000733263 [0,1,0,1,0,0|1,0,1]=4 785 B9R1.8 COCc1cccnn1 34a_100138415774_100016990269 [0,1,0,1,0,0|2,0,0]=4 786 B9R1.8 CSCc1ccccc1 62a_100000211182_200000210301 [0,1,0,1,0,0|1,0,1]=4 787 B9R1.8 CSCc1ccccc1 62a_200000210301_100015291786 [0,1,0,1,0,0|1,0,1]=4 788 B9R1.8 CSCc1ccccn1 62a_100000721315_200000210301 [0,1,0,1,0,0|1,0,1]=4 789 B9R1.8 CSCc1ccccn1 62a_200000210301_100000721315 [0,1,0,1,0,0|1,0,1]=4 790 B9R1.8 CSCc1cccnc1 62a_100000741622_200000210301 [0,1,0,1,0,0|2,0,0]=4 791 B9R1.8 CSCc1cccnc1 62a_200000210301_100000741622 [0,1,0,1,0,0|2,0,0]=4 792 B9R1.8 CSCc1cccnn1 62a_100016990269_200000210301 [0,1,0,1,0,0|2,0,0]=4 793 B9R1.8 CSCc1cccnn1 62a_200000210301_100016990269 [0,1,0,1,0,0|2,0,0]=4 794 B9R1.8 OCCN1CC=CCC1 2230a_100000698166_100000211926 [0,1,0,1,0,0|0,0,2]=4 795 B9R1.8 OCCN1CC=CCC1 269982a_100000698166_100000211926 [0,1,0,1,0,0|0,0,2]=4 796 B9R1.8 OCCN1CC=CCC1 34a_100000698166_100000211926 [0,1,0,1,0,0|0,0,2]=4 797 B9R1.8 [13CH3]NCc1ccccc1 2230a_100015324214_200025704644 [0,1,0,1,0,0|1,0,1]=4 798 B9R1.8 [13CH3]NCc1ccccc1 34a_100015324214_200025704644 [0,1,0,1,0,0|1,0,1]=4 799 B9R1.8 [13CH3]NCc1cccnn1 2230a_100159270163_200025704644 [0,1,0,1,0,0|2,0,0]=4 800 B9R1.8 [13CH3]OCC1CC=CCC1 34a_100000210713_200025704644 [0,1,0,1,0,0|0,0,2]=4 801 B9R1.8 [13CH3]OCC1CCC=CO1 34a_100011217868_200025704644 [0,1,0,1,0,0|1,0,1]=4 802 B9R1.8 [13CH3]OCc1ccccc1 34a_100000210790_200025704644 [0,1,0,1,0,0|0,0,2]=4 803 B9R1.8 [13CH3]OCc1ccccc1 7a_100000210790_200025704644 [0,1,0,1,0,0|0,0,2]=4 804 B9R1.8 [13CH3]SCc1ccccc1 62a_100000211182_200025704644 [0,1,0,1,0,0|1,0,1]=4 805 B9R1.8 [13CH3]SCc1ccccc1 62a_200025704644_100015291786 [0,1,0,1,0,0|1,0,1]=4 806 B9R1.8 [13CH3]SCc1ccccn1 62a_100000721315_200025704644 [0,1,0,1,0,0|1,0,1]=4 807 B9R1.8 [13CH3]SCc1ccccn1 62a_200025704644_100000721315 [0,1,0,1,0,0|1,0,1]=4 808 B9R1.8 [13CH3]SCc1cccnc1 62a_100000741622_200025704644 [0,1,0,1,0,0|2,0,0]=4 809 B9R1.8 [13CH3]SCc1cccnc1 62a_200025704644_100000741622 [0,1,0,1,0,0|2,0,0]=4 810 B9R1.8 [13CH3]SCc1cccnn1 62a_100016990269_200025704644 [0,1,0,1,0,0|2,0,0]=4 811 B9R1.8 [13CH3]SCc1cccnn1 62a_200025704644_100016990269 [0,1,0,1,0,0|2,0,0]=4 812 B9R1.12 CCCCc1ccco1 271570a_100020621405_100009814098 [0,1,0,1,0,0|0,0,2]=4 813 B9R1.12 CCCSc1ccco1 62a_100000210303_100009814098 [0,1,0,1,0,0|0,0,2]=4 814 B9R1.12 CCCSc1ccco1 62a_100009814098_100000210303 [0,1,0,1,0,0|0,0,2]=4 815 B9R1.12 CCNCc1ccco1 207a_100015525214_100000186105 [0,1,0,1,0,0|0,0,2]=4 816 B9R1.12 CCNCc1ccco1 2230a_100000185738_100000210202 [0,1,0,1,0,0|0,0,2]=4 817 B9R1.12 CCNCc1ccco1 270004a_100015525214_100000186105 [0,1,0,1,0,0|0,0,2]=4 818 B9R1.12 CCNCc1ccco1 34a_100000185738_100000210202 [0,1,0,1,0,0|0,0,2]=4 819 B9R1.12 CCNN=C1C=CCC1 4a_100000756455_100000239507 [0,1,0,1,0,0|2,0,0]=4 820 B9R1.12 CCOCc1ccco1 34a_100000210059_100000210202 [0,1,0,1,0,0|0,0,2]=4 821 B9R1.12 CCOCc1ccno1 34a_100000740478_100000210202 [0,1,0,1,0,0|1,0,1]=4 822 B9R1.12 CNCCc1ccco1 2230a_100000694680_200000210301 [0,1,0,1,0,0|0,0,2]=4 823 B9R1.12 CNCCc1ccco1 34a_100000694680_200000210301 [0,1,0,1,0,0|0,0,2]=4 824 B9R1.12 COCSc1ccco1 62a_100000766300_100009814098 [0,1,0,1,0,0|1,0,1]=4 825 B9R1.12 COCSc1ccco1 62a_100009814098_100000766300 [0,1,0,1,0,0|1,0,1]=4 826 B9R1.12 CSCSc1ccco1 62a_100009814098_100011218213 [0,1,0,1,0,0|1,0,1]=4 827 B9R1.12 CSCSc1ccco1 62a_100011218213_100009814098 [0,1,0,1,0,0|1,0,1]=4 828 B9R1.12 FCCSc1ccco1 62a_100009814098_100011217306 [0,1,0,1,0,0|1,0,1]=4 829 B9R1.12 FCCSc1ccco1 62a_100011217306_100009814098 [0,1,0,1,0,0|1,0,1]=4 830 B9R1.12 OCCSc1ccco1 62a_100000211926_100009814098 [0,1,0,1,0,0|1,0,1]=4 831 B9R1.12 OCCSc1ccco1 62a_100009814098_100000211926 [0,1,0,1,0,0|1,0,1]=4 832 B9R1.12 [13CH3]NCCc1ccco1 2230a_100000694680_200025704644 [0,1,0,1,0,0|0,0,2]=4 833 B9R1.12 [13CH3]NCCc1ccco1 34a_100000694680_200025704644 [0,1,0,1,0,0|0,0,2]=4 834 B9R1.15 CCc1ccccc1O 271570a_203496583355_100011215823 [0,1,0,1,0,0|0,0,1]=3 835 B9R1.15 CCc1ccncc1O 271570a_203496583355_100009819861 [0,1,0,1,0,0|0,0,1]=3 836 B9R1.15 CCc1cnccc1O 271570a_203496583355_100025704421 [0,1,0,1,0,0|0,0,1]=3 837 B9R1.15 CCc1cncnc1O 271570a_203496583355_200000100055 [0,1,0,1,0,0|1,0,1]=4 838 B9R1.15 CCc1ncccc1O 271570a_203496583355_100009877225 [0,1,0,1,0,0|0,0,1]=3 839 B9R1.15 CCc1nccnc1O 271570a_203496583355_100011995844 [0,1,0,1,0,0|1,0,1]=4 840 B9R1.15 CCc1ncncc1O 271570a_203496583355_100009816992 [0,1,0,1,0,0|1,0,1]=4 841 B9R1.15 CNc1ccccc1O 271570a_203496583355_100020606079 [0,1,0,1,0,0|0,0,2]=4 842 B9R1.15 CNc1ccccc1O 34a_100000185747_200000210301 [0,1,0,1,0,0|0,0,2]=4 843 B9R1.15 CNc1cccnc1O 271570a_203496583355_200011806188 [0,1,0,1,0,0|1,0,1]=4 844 B9R1.15 CNc1ccncc1O 271570a_203496583355_100010069531 [0,1,0,1,0,0|1,0,1]=4 845 B9R1.15 CNc1ncccc1O 271570a_203496583355_100000700899 [0,1,0,1,0,0|1,0,1]=4 846 B9R1.15 COc1ccccc1C 34a_100000210338_200000210301 [0,1,0,1,0,0|0,0,2]=4 847 B9R1.15 COc1ccccc1C 7a_100000210338_200000210301 [0,1,0,1,0,0|0,0,2]=4 848 B9R1.15 COc1ccccc1O 271570a_203496583355_100000174000 [0,1,0,1,0,0|0,0,2]=4 849 B9R1.15 COc1cccnc1O 271570a_203496583355_100000690851 [0,1,0,1,0,0|1,0,1]=4 850 B9R1.15 COc1ccncc1O 271570a_203496583355_100011997281 [0,1,0,1,0,0|1,0,1]=4 851 B9R1.15 COc1cnccc1O 271570a_203496583355_100016988167 [0,1,0,1,0,0|1,0,1]=4 852 B9R1.15 COc1ncccc1O 271570a_203496583355_100000047025 [0,1,0,1,0,0|1,0,1]=4 853 B9R1.15 CSc1ccccc1O 271570a_203496583355_100011217816 [0,1,0,1,0,0|0,0,2]=4 854 B9R1.15 CSc1ccccc1O 62a_100000739446_200000210301 [0,1,0,1,0,0|0,0,2]=4 855 B9R1.15 CSc1ccccc1O 62a_200000210301_100000739446 [0,1,0,1,0,0|0,0,2]=4 856 B9R1.15 CSc1cccnc1O 62a_100000760158_200000210301 [0,1,0,1,0,0|1,0,1]=4 857 B9R1.15 CSc1cccnc1O 62a_200000210301_100000760158 [0,1,0,1,0,0|1,0,1]=4 858 B9R1.15 CSc1ccncc1O 62a_100009817591_200000210301 [0,1,0,1,0,0|1,0,1]=4 859 B9R1.15 CSc1ccncc1O 62a_200000210301_100009817591 [0,1,0,1,0,0|1,0,1]=4 860 B9R1.15 CSc1ncccc1O 271570a_203496583355_100011465278 [0,1,0,1,0,0|1,0,1]=4 861 B9R1.15 CSc1ncccc1O 62a_100000034122_200000210301 [0,1,0,1,0,0|1,0,1]=4 862 B9R1.15 CSc1ncccc1O 62a_200000210301_100000034122 [0,1,0,1,0,0|1,0,1]=4 863 B9R1.15 Cc1ccccc1O[13CH3] 34a_100000210338_200025704644 [0,1,0,1,0,0|0,0,2]=4 864 B9R1.15 Cc1ccccc1O[13CH3] 7a_100000210338_200025704644 [0,1,0,1,0,0|0,0,2]=4 865 B9R1.15 NCc1ccccc1O 271570a_203496583355_100000689332 [0,1,0,1,0,0|0,0,2]=4 866 B9R1.15 NCc1cccnc1O 271570a_203496583355_100015189234 [0,1,0,1,0,0|1,0,1]=4 867 B9R1.15 NCc1ccncc1O 271570a_203496583355_100020640021 [0,1,0,1,0,0|1,0,1]=4 868 B9R1.15 NCc1ncccc1O 271570a_203496583355_100020591323 [0,1,0,1,0,0|1,0,1]=4 869 B9R1.15 OCc1ccccc1O 271570a_203496583355_100000187465 [0,1,0,1,0,0|0,0,2]=4 870 B9R1.15 OCc1cccnc1O 271570a_203496583355_100000748726 [0,1,0,1,0,0|1,0,1]=4 871 B9R1.15 OCc1ccncc1O 271570a_203496583355_100009873359 [0,1,0,1,0,0|1,0,1]=4 872 B9R1.15 OCc1cnccc1O 271570a_203496583355_100000117392 [0,1,0,1,0,0|1,0,1]=4 873 B9R1.15 OCc1ncccc1O 271570a_203496583355_100011996772 [0,1,0,1,0,0|1,0,1]=4 874 B9R1.15 [13CH3]Nc1ccccc1O 34a_100000185747_200025704644 [0,1,0,1,0,0|0,0,2]=4 875 B9R1.15 [13CH3]Sc1ccccc1O 62a_100000739446_200025704644 [0,1,0,1,0,0|0,0,2]=4 876 B9R1.15 [13CH3]Sc1ccccc1O 62a_200025704644_100000739446 [0,1,0,1,0,0|0,0,2]=4 877 B9R1.15 [13CH3]Sc1cccnc1O 62a_100000760158_200025704644 [0,1,0,1,0,0|1,0,1]=4 878 B9R1.15 [13CH3]Sc1cccnc1O 62a_200025704644_100000760158 [0,1,0,1,0,0|1,0,1]=4 879 B9R1.15 [13CH3]Sc1ccncc1O 62a_100009817591_200025704644 [0,1,0,1,0,0|1,0,1]=4 880 B9R1.15 [13CH3]Sc1ccncc1O 62a_200025704644_100009817591 [0,1,0,1,0,0|1,0,1]=4 881 B9R1.15 [13CH3]Sc1ncccc1O 62a_100000034122_200025704644 [0,1,0,1,0,0|1,0,1]=4 882 B9R1.15 [13CH3]Sc1ncccc1O 62a_200025704644_100000034122 [0,1,0,1,0,0|1,0,1]=4 883 B9R1.27 Cn1ncc(c1CO)O 271570a_203496583355_100012039568 [0,1,0,1,0,0|2,0,0]=4 884 B9R1.33 CNCc1cccn1C 270004a_106832991635_100000211633 [0,1,0,1,0,0|2,0,0]=4 885 B9R1.33 CNCc1cccn1C 34a_100011219357_200000210301 [0,1,0,1,0,0|2,0,0]=4 886 B9R1.33 CNCc1ccsc1O 271570a_203496583355_100009817074 [0,1,0,1,0,0|1,0,1]=4 887 B9R1.33 CNCc1cscc1O 271570a_203496583355_100011935083 [0,1,0,1,0,0|1,0,1]=4 888 B9R1.33 CNCc1sccc1O 271570a_203496583355_100000767120 [0,1,0,1,0,0|1,0,1]=4 889 B9R1.33 COCc1ccnn1C 34a_100000684702_200000210301 [0,1,0,1,0,0|2,0,0]=4 890 B9R1.33 COCc1ccnn1C 34a_100138415774_100000691648 [0,1,0,1,0,0|2,0,0]=4 891 B9R1.33 COCc1ccoc1C 34a_100011219433_200000210301 [0,1,0,1,0,0|1,0,1]=4 892 B9R1.33 COCc1ccoc1C 7a_100011219433_200000210301 [0,1,0,1,0,0|1,0,1]=4 893 B9R1.33 COCc1nccn1C 34a_100138415774_100000700302 [0,1,0,1,0,0|2,0,0]=4 894 B9R1.33 COCc1nccn1C 7a_100000691215_200000210301 [0,1,0,1,0,0|2,0,0]=4 895 B9R1.33 COCc1occc1C 34a_100011273948_200000210301 [0,1,0,1,0,0|1,0,1]=4 896 B9R1.33 COCc1occc1C 7a_100011273948_200000210301 [0,1,0,1,0,0|1,0,1]=4 897 B9R1.33 COCc1sccc1C 34a_100000238368_200000210301 [0,1,0,1,0,0|1,0,1]=4 898 B9R1.33 COCc1sccc1C 7a_100000238368_200000210301 [0,1,0,1,0,0|1,0,1]=4 899 B9R1.33 Cc1ccoc1CO[13CH3] 34a_100011273948_200025704644 [0,1,0,1,0,0|1,0,1]=4 900 B9R1.33 Cc1ccoc1CO[13CH3] 7a_100011273948_200025704644 [0,1,0,1,0,0|1,0,1]=4 901 B9R1.33 Cc1ccsc1CO[13CH3] 34a_100000238368_200025704644 [0,1,0,1,0,0|1,0,1]=4 902 B9R1.33 Cc1ccsc1CO[13CH3] 7a_100000238368_200025704644 [0,1,0,1,0,0|1,0,1]=4 903 B9R1.33 Cc1occc1CO[13CH3] 34a_100011219433_200025704644 [0,1,0,1,0,0|1,0,1]=4 904 B9R1.33 Cc1occc1CO[13CH3] 7a_100011219433_200025704644 [0,1,0,1,0,0|1,0,1]=4 905 B9R1.33 Cn1cccc1CN[13CH3] 34a_100011219357_200025704644 [0,1,0,1,0,0|2,0,0]=4 906 B9R1.33 Cn1ccnc1CO[13CH3] 7a_100000691215_200025704644 [0,1,0,1,0,0|2,0,0]=4 907 B9R1.33 Cn1nccc1CO[13CH3] 34a_100000684702_200025704644 [0,1,0,1,0,0|2,0,0]=4 908 B9R1.69 Cc1cc(ccc1O)Br 271570a_203496583355_100000701812 [0,1,0,1,0,0|0,0,2]=4 909 B9R1.69 Cc1cc(ccc1O)Cl 271570a_203496583355_100011219607 [0,1,0,1,0,0|0,0,2]=4 910 B9R1.69 Cc1cc(ccc1O)F 271570a_203496583355_100011205405 [0,1,0,1,0,0|0,0,2]=4 911 B9R1.69 Cc1cc(ccc1O)N 271570a_203496583355_100000210723 [0,1,0,1,0,0|0,0,2]=4 912 B9R1.69 Cc1cc(ccc1O)O 271570a_203496583355_100000186361 [0,1,0,1,0,0|0,0,2]=4 913 B9R1.69 Cc1cc(ccc1O)O 271570a_203496583355_100000729255 [0,1,0,1,0,0|0,0,2]=4 914 B9R1.69 Cc1ccc(c(c1)C)O 271570a_203496583355_100011217332 [0,1,0,1,0,0|0,0,2]=4 915 B9R1.69 Cc1ccc(c(c1)O)C 271570a_203496583355_100000210833 [0,1,0,1,0,0|0,0,2]=4 916 B9R1.69 Cc1ccc(cc1O)Br 271570a_203496583355_100011344865 [0,1,0,1,0,0|0,0,2]=4 917 B9R1.69 Cc1ccc(cc1O)Cl 271570a_203496583355_100011263213 [0,1,0,1,0,0|0,0,2]=4 918 B9R1.69 Cc1ccc(cc1O)F 271570a_203496583355_100011218078 [0,1,0,1,0,0|0,0,2]=4 919 B9R1.69 Cc1ccc(cc1O)N 271570a_203496583355_100000736455 [0,1,0,1,0,0|0,0,2]=4 920 B9R1.69 Cc1ccc(cc1O)O 271570a_203496583355_100000766334 [0,1,0,1,0,0|0,0,2]=4 921 B9R1.69 Cc1ccc(cc1O)O 271570a_203496583355_100011380479 [0,1,0,1,0,0|0,0,2]=4 922 B9R1.14 C=Cc1ccsc1CO 271570a_100011290941_100000702026 [0,1,0,1,0,0|0,0,2]=4 923 B9R1.14 C=Cc1cscc1CC 271570a_100011290941_100011068457 [0,1,0,1,0,0|1,0,1]=4 924 B9R1.14 C=Cc1cscc1CO 271570a_100011290941_100000724555 [0,1,0,1,0,0|0,0,2]=4 925 B9R1.14 C=Cc1sccc1CC 271570a_100011290941_200009875468 [0,1,0,1,0,0|1,0,1]=4 926 B9R1.14 C=Cc1sccc1CO 271570a_100011290941_100009816922 [0,1,0,1,0,0|0,0,2]=4 927 B9R1.14 CCc1ccsc1SC 62a_200000210301_200009875468 [0,1,0,1,0,0|2,0,0]=4 928 B9R1.14 CCc1ccsc1SC 62a_200009875468_200000210301 [0,1,0,1,0,0|2,0,0]=4 929 B9R1.14 CCc1ccsc1S[13CH3] 62a_200009875468_200025704644 [0,1,0,1,0,0|2,0,0]=4 930 B9R1.14 CCc1ccsc1S[13CH3] 62a_200025704644_200009875468 [0,1,0,1,0,0|2,0,0]=4 931 B9R1.14 CCc1cscc1SC 62a_100011068457_200000210301 [0,1,0,1,0,0|2,0,0]=4 932 B9R1.14 CCc1cscc1SC 62a_200000210301_100011068457 [0,1,0,1,0,0|2,0,0]=4 933 B9R1.14 CCc1cscc1S[13CH3] 62a_100011068457_200025704644 [0,1,0,1,0,0|2,0,0]=4 934 B9R1.14 CCc1cscc1S[13CH3] 62a_200025704644_100011068457 [0,1,0,1,0,0|2,0,0]=4 935 B9R1.14 CSc1ccsc1CO 62a_100000702026_200000210301 [0,1,0,1,0,0|1,0,0]=3 936 B9R1.14 CSc1ccsc1CO 62a_200000210301_100000702026 [0,1,0,1,0,0|1,0,0]=3 937 B9R1.14 CSc1cscc1CO 62a_100000724555_200000210301 [0,1,0,1,0,0|1,0,0]=3 938 B9R1.14 CSc1cscc1CO 62a_200000210301_100000724555 [0,1,0,1,0,0|1,0,0]=3 939 B9R1.14 CSc1ncsc1CO 62a_100012000948_200000210301 [0,1,0,1,0,0|2,0,0]=4 940 B9R1.14 CSc1ncsc1CO 62a_200000210301_100012000948 [0,1,0,1,0,0|2,0,0]=4 941 B9R1.14 CSc1sccc1CN 62a_100000727803_200000210301 [0,1,0,1,0,0|2,0,0]=4 942 B9R1.14 CSc1sccc1CN 62a_200000210301_100000727803 [0,1,0,1,0,0|2,0,0]=4 943 B9R1.14 CSc1sccc1CO 62a_100009816922_200000210301 [0,1,0,1,0,0|1,0,0]=3 944 B9R1.14 CSc1sccc1CO 62a_200000210301_100009816922 [0,1,0,1,0,0|1,0,0]=3 945 B9R1.14 [13CH3]Sc1ccsc1CO 62a_100000702026_200025704644 [0,1,0,1,0,0|1,0,0]=3 946 B9R1.14 [13CH3]Sc1ccsc1CO 62a_200025704644_100000702026 [0,1,0,1,0,0|1,0,0]=3 947 B9R1.14 [13CH3]Sc1cscc1CO 62a_100000724555_200025704644 [0,1,0,1,0,0|1,0,0]=3 948 B9R1.14 [13CH3]Sc1cscc1CO 62a_200025704644_100000724555 [0,1,0,1,0,0|1,0,0]=3 949 B9R1.14 [13CH3]Sc1ncsc1CO 62a_100012000948_200025704644 [0,1,0,1,0,0|2,0,0]=4 950 B9R1.14 [13CH3]Sc1ncsc1CO 62a_200025704644_100012000948 [0,1,0,1,0,0|2,0,0]=4 951 B9R1.14 [13CH3]Sc1sccc1CN 62a_100000727803_200025704644 [0,1,0,1,0,0|2,0,0]=4 952 B9R1.14 [13CH3]Sc1sccc1CN 62a_200025704644_100000727803 [0,1,0,1,0,0|2,0,0]=4 953 B9R1.14 [13CH3]Sc1sccc1CO 62a_100009816922_200025704644 [0,1,0,1,0,0|1,0,0]=3 954 B9R1.14 [13CH3]Sc1sccc1CO 62a_200025704644_100009816922 [0,1,0,1,0,0|1,0,0]=3 955 B9R1.1 CCc1ccc(cc1)O 271570a_203496583355_100011215824 [0,1,0,1,0,0|1,0,1]=4 956 B9R1.1 CCc1ccc(cn1)O 271570a_203496583355_100009820025 [0,1,0,1,0,0|1,0,1]=4 957 B9R1.1 CCc1ccc(nc1)O 271570a_203496583355_100009843584 [0,1,0,1,0,0|2,0,0]=4 958 B9R1.1 OCc1ccc(cc1)O 271570a_203496583355_100000690907 [0,1,0,1,0,0|0,0,2]=4 959 B9R1.1 OCc1ccc(cn1)O 271570a_203496583355_100000754261 [0,1,0,1,0,0|1,0,1]=4 960 B9R1.1 OCc1ccc(nc1)O 271570a_203496583355_100009816760 [0,1,0,1,0,0|1,0,1]=4 961 B9R1.3 Cc1c(cccc1Br)O 271570a_203496583355_100012353703 [0,1,0,1,0,0|0,0,2]=4 962 B9R1.3 Cc1c(cccc1Cl)O 271570a_203496583355_100000726075 [0,1,0,1,0,0|0,0,2]=4 963 B9R1.3 Cc1c(cccc1F)O 271570a_203496583355_100011216893 [0,1,0,1,0,0|0,0,2]=4 964 B9R1.3 Cc1c(cccc1O)N 271570a_203496583355_100000761887 [0,1,0,1,0,0|0,0,2]=4 965 B9R1.3 Cc1c(cccc1O)O 271570a_203496583355_100012002258 [0,1,0,1,0,0|0,0,2]=4 966 B9R1.3 Cc1cccc(c1C)O 271570a_203496583355_100011214922 [0,1,0,1,0,0|0,0,2]=4 967 B9R1.3 Cc1cccc(c1O)C 271570a_203496583355_100000033847 [0,1,0,1,0,0|0,0,2]=4 968 B9R1.3 Cc1cccc(c1O)Cl 271570a_203496583355_100000043165 [0,1,0,1,0,0|0,0,2]=4 969 B9R1.3 Cc1cccc(c1O)F 271570a_203496583355_100012349962 [0,1,0,1,0,0|0,0,2]=4 970 B9R1.3 Cc1cccc(c1O)N 271570a_203496583355_100000684715 [0,1,0,1,0,0|0,0,2]=4 971 B9R1.3 Cc1cccc(c1O)O 271570a_203496583355_100000686692 [0,1,0,1,0,0|0,0,2]=4 972 B9R1.3 Cc1cccc(c1O)O 271570a_203496583355_100009817157 [0,1,0,1,0,0|0,0,2]=4 973 B9R1.3 Cn1c(cccc1=O)O 271570a_203496583355_100000726605 [0,1,0,1,0,0|1,0,1]=4 974 B9R1.11 CCC(=O)C1=CCCC1 1458a_100000038896_100000210202 [0,1,0,1,0,0|1,0,1]=4 975 B9R1.11 CCC(=O)C1=COCC1 1458a_100000750620_100000210202 [0,1,0,1,0,0|2,0,0]=4 976 B9R1.11 O=C(CF)C1=CCCC1 1458a_100000038896_100015361967 [0,1,0,1,0,0|1,0,1]=4 977 B9R1.11 O=C(CF)C1=COCC1 1458a_100000750620_100015361967 [0,1,0,1,0,0|2,0,0]=4 978 B9R1.21 C=Cc1ccc(o1)CO 271570a_100011290941_100000246276 [0,1,0,1,0,0|0,0,2]=4 979 B9R1.21 C=Cc1ccc(s1)CC 271570a_100011290941_100009844052 [0,1,0,1,0,0|1,0,1]=4 980 B9R1.21 C=Cc1ccc(s1)CO 271570a_100011290941_100000246291 [0,1,0,1,0,0|0,0,2]=4 981 B9R1.21 CCc1ccc(s1)SC 62a_100009844052_200000210301 [0,1,0,1,0,0|2,0,0]=4 982 B9R1.21 CCc1ccc(s1)SC 62a_200000210301_100009844052 [0,1,0,1,0,0|2,0,0]=4 983 B9R1.21 CCc1ccc(s1)S[13CH3] 62a_100009844052_200025704644 [0,1,0,1,0,0|2,0,0]=4 984 B9R1.21 CCc1ccc(s1)S[13CH3] 62a_200025704644_100009844052 [0,1,0,1,0,0|2,0,0]=4 985 B9R1.21 CCc1noc(n1)CO 270196a_200000212204_100000210174 [0,1,0,1,0,0|2,0,0]=4 986 B9R1.21 CSc1ccc(o1)CN 62a_200000210301_100000708654 [0,1,0,1,0,0|2,0,0]=4 987 B9R1.21 CSc1ccc(o1)CO 62a_100000246276_200000210301 [0,1,0,1,0,0|1,0,0]=3 988 B9R1.21 CSc1ccc(o1)CO 62a_200000210301_100000246276 [0,1,0,1,0,0|1,0,0]=3 989 B9R1.21 CSc1ccc(s1)CN 62a_100000737305_200000210301 [0,1,0,1,0,0|2,0,0]=4 990 B9R1.21 CSc1ccc(s1)CN 62a_200000210301_100000737305 [0,1,0,1,0,0|2,0,0]=4 991 B9R1.21 CSc1ccc(s1)CO 62a_100000246291_200000210301 [0,1,0,1,0,0|1,0,0]=3 992 B9R1.21 CSc1ccc(s1)CO 62a_200000210301_100000246291 [0,1,0,1,0,0|1,0,0]=3 993 B9R1.21 CSc1cnc(s1)CO 62a_100000696694_200000210301 [0,1,0,1,0,0|2,0,0]=4 994 B9R1.21 CSc1cnc(s1)CO 62a_200000210301_100000696694 [0,1,0,1,0,0|2,0,0]=4 995 B9R1.21 CSc1csc(c1)CO 62a_100000238369_200000210301 [0,1,0,1,0,0|2,0,0]=4 996 B9R1.21 CSc1csc(c1)CO 62a_200000210301_100000238369 [0,1,0,1,0,0|2,0,0]=4 997 B9R1.21 CSc1csc(n1)CO 62a_100012000107_200000210301 [0,1,0,1,0,0|2,0,0]=4 998 B9R1.21 CSc1csc(n1)CO 62a_200000210301_100012000107 [0,1,0,1,0,0|2,0,0]=4 999 B9R1.21 CSc1nc(cs1)CO 62a_100009816749_200000210301 [0,1,0,1,0,0|2,0,0]=4 1000 B9R1.21 CSc1nc(cs1)CO 62a_200000210301_100009816749 [0,1,0,1,0,0|2,0,0]=4 1001 B9R1.21 CSc1ncc(s1)CO 62a_100009816753_200000210301 [0,1,0,1,0,0|2,0,0]=4 1002 B9R1.21 CSc1ncc(s1)CO 62a_200000210301_100009816753 [0,1,0,1,0,0|2,0,0]=4 1003 B9R1.21 [13CH3]Sc1ccc(o1)CN 62a_200025704644_100000708654 [0,1,0,1,0,0|2,0,0]=4 1004 B9R1.21 [13CH3]Sc1ccc(o1)CO 62a_100000246276_200025704644 [0,1,0,1,0,0|1,0,0]=3 1005 B9R1.21 [13CH3]Sc1ccc(o1)CO 62a_200025704644_100000246276 [0,1,0,1,0,0|1,0,0]=3 1006 B9R1.21 [13CH3]Sc1ccc(s1)CN 62a_100000737305_200025704644 [0,1,0,1,0,0|2,0,0]=4 1007 B9R1.21 [13CH3]Sc1ccc(s1)CN 62a_200025704644_100000737305 [0,1,0,1,0,0|2,0,0]=4 1008 B9R1.21 [13CH3]Sc1ccc(s1)CO 62a_100000246291_200025704644 [0,1,0,1,0,0|1,0,0]=3 1009 B9R1.21 [13CH3]Sc1ccc(s1)CO 62a_200025704644_100000246291 [0,1,0,1,0,0|1,0,0]=3 1010 B9R1.21 [13CH3]Sc1cnc(s1)CO 62a_100000696694_200025704644 [0,1,0,1,0,0|2,0,0]=4 1011 B9R1.21 [13CH3]Sc1cnc(s1)CO 62a_200025704644_100000696694 [0,1,0,1,0,0|2,0,0]=4 1012 B9R1.21 [13CH3]Sc1csc(c1)CO 62a_100000238369_200025704644 [0,1,0,1,0,0|2,0,0]=4 1013 B9R1.21 [13CH3]Sc1csc(c1)CO 62a_200025704644_100000238369 [0,1,0,1,0,0|2,0,0]=4 1014 B9R1.21 [13CH3]Sc1csc(n1)CO 62a_100012000107_200025704644 [0,1,0,1,0,0|2,0,0]=4 1015 B9R1.21 [13CH3]Sc1csc(n1)CO 62a_200025704644_100012000107 [0,1,0,1,0,0|2,0,0]=4 1016 B9R1.21 [13CH3]Sc1nc(cs1)CO 62a_100009816749_200025704644 [0,1,0,1,0,0|2,0,0]=4 1017 B9R1.21 [13CH3]Sc1nc(cs1)CO 62a_200025704644_100009816749 [0,1,0,1,0,0|2,0,0]=4 1018 B9R1.21 [13CH3]Sc1ncc(s1)CO 62a_100009816753_200025704644 [0,1,0,1,0,0|2,0,0]=4 1019 B9R1.21 [13CH3]Sc1ncc(s1)CO 62a_200025704644_100009816753 [0,1,0,1,0,0|2,0,0]=4 1020 B9R1.79 CCC(=O)C=C1CCC1 1458a_100000686340_100000210202 [0,1,0,1,0,0|1,0,1]=4 1021 B9R1.79 O=C(C=C1CCC1)CF 1458a_100000686340_100015361967 [0,1,0,1,0,0|1,0,1]=4 1022 B9R1.80 CCC(=O)C=CC1CC1 1458a_100102529529_100000210202 [0,1,0,1,0,0|1,0,1]=4 1023 B9R1.80 O=C(C=CC1CC1)CF 1458a_100102529529_100015361967 [0,1,0,1,0,0|1,0,1]=4 1024 B9R1.132 Cn1c(cnc1CO)O 271570a_203496583355_100009817024 [0,1,0,1,0,0|2,0,0]=4 1025 B9R1.13 CC(=Cc1ccco1)C 271570a_100102525489_100009814098 [0,1,0,1,0,0|0,0,2]=4 1026 B9R1.13 CC(C)Sc1ccco1 62a_100000210206_100009814098 [0,1,0,1,0,0|1,0,1]=4 1027 B9R1.13 CC(C)Sc1ccco1 62a_100009814098_100000210206 [0,1,0,1,0,0|1,0,1]=4 1028 B9R2.2 c1coc(c1)C2CC2 271570a_100011220607_100009814098 [0,0,0,2,0,0|0,0,2]=4