0 B10R0.71 C/C=C/C=C/COCCCC 34a_100016283227_100000210210 [0,0,0,0,0,0|2,0,2]=4 1 B10R0.71 CC/C=C/C/C=C/CCOC 34a_200016273837_200000210301 [0,0,0,0,0,0|2,0,2]=4 2 B10R0.71 CC/C=C/C/C=C/CCOC 7a_200016273837_200000210301 [0,0,0,0,0,0|2,0,2]=4 3 B10R0.71 CC/C=C/C/C=C/CCO[13CH3] 34a_200016273837_200025704644 [0,0,0,0,0,0|2,0,2]=4 4 B10R0.71 CC/C=C/C/C=C/CCO[13CH3] 7a_200016273837_200025704644 [0,0,0,0,0,0|2,0,2]=4 5 B10R0.71 CC/C=C/CCCOCCC 34a_100016287902_100000210303 [0,0,0,0,0,0|2,0,2]=4 6 B10R0.71 CC/C=C/CCCOCCC 7a_100016287902_100000210303 [0,0,0,0,0,0|2,0,2]=4 7 B10R0.71 CC/C=C\CCCCCNC 269862a_106832991636_100016288537 [0,0,0,0,0,0|2,0,2]=4 8 B10R0.71 CC/C=C\CCCCCOC 34a_100016268722_200000210301 [0,0,0,0,0,0|2,0,2]=4 9 B10R0.71 CC/C=C\CCCCCOC 7a_100016268722_200000210301 [0,0,0,0,0,0|2,0,2]=4 10 B10R0.71 CC/C=C\CCCCCO[13CH3] 34a_100016268722_200025704644 [0,0,0,0,0,0|2,0,2]=4 11 B10R0.71 CC/C=C\CCCCCO[13CH3] 7a_100016268722_200025704644 [0,0,0,0,0,0|2,0,2]=4 12 B10R0.71 CC/C=C\CCCCOCC 34a_100016287862_100000210202 [0,0,0,0,0,0|2,0,2]=4 13 B10R0.71 CC/C=C\CCCCOCC 7a_100016287862_100000210202 [0,0,0,0,0,0|2,0,2]=4 14 B10R0.71 CC/C=C\CCNCCCC 2230a_100000102301_100015370543 [0,0,0,0,0,0|2,0,2]=4 15 B10R0.71 CC/C=C\CCNCCCC 7a_106832991798_100015370543 [0,0,0,0,0,0|2,0,2]=4 16 B10R0.71 CC/C=C\CCOCCCC 34a_100000210227_100015370543 [0,0,0,0,0,0|2,0,2]=4 17 B10R0.71 CC/C=C\CCOCCCC 34a_100016288707_100000210210 [0,0,0,0,0,0|2,0,2]=4 18 B10R0.71 CC/C=C\CCOCCCC 7a_100000210227_100015370543 [0,0,0,0,0,0|2,0,2]=4 19 B10R0.71 CC/C=C\CCOCCCC 7a_100016288707_100000210211 [0,0,0,0,0,0|2,0,2]=4 20 B10R0.71 CC/C=C\CCSCCCC 62a_100000210211_100015370543 [0,0,0,0,0,0|2,0,2]=4 21 B10R0.71 CC/C=C\CCSCCCC 62a_100015370543_100000210210 [0,0,0,0,0,0|2,0,2]=4 22 B10R0.71 CC/C=C\CNCCCCC 2230a_100000209983_100103147603 [0,0,0,0,0,0|2,0,1]=3 23 B10R0.71 CC/C=C\CNCCCCO 2230a_100000750430_100103147603 [0,0,0,0,0,0|3,0,1]=4 24 B10R0.71 CC/C=C\CNCCCCO 34a_100000750430_100103147603 [0,0,0,0,0,0|3,0,1]=4 25 B10R0.71 CC/C=C\CNCCCOC 34a_100150723488_100103147603 [0,0,0,0,0,0|3,0,1]=4 26 B10R0.71 CC/C=C\CNCCCSC 2230a_100000749238_100103147603 [0,0,0,0,0,0|3,0,1]=4 27 B10R0.71 CC/C=C\CNCCOCC 2230a_102516460346_100103147603 [0,0,0,0,0,0|3,0,1]=4 28 B10R0.71 CC/C=C\CNCCOCC 34a_102516460346_100103147603 [0,0,0,0,0,0|3,0,1]=4 29 B10R0.71 CC/C=C\CNCCSCC 2230a_100000106463_100103147603 [0,0,0,0,0,0|3,0,1]=4 30 B10R0.71 CC/C=C\COCCCCBr 34a_100011216708_100103147603 [0,0,0,0,0,0|3,0,1]=4 31 B10R0.71 CC/C=C\COCCCCC 34a_100000210253_100103147603 [0,0,0,0,0,0|2,0,1]=3 32 B10R0.71 CC/C=C\COCCCCC 34a_100016268518_100000718602 [0,0,0,0,0,0|2,0,1]=3 33 B10R0.71 CC/C=C\COCCCCC 7a_100000210253_100103147603 [0,0,0,0,0,0|2,0,1]=3 34 B10R0.71 CC/C=C\COCCCCCl 34a_100000210776_100103147603 [0,0,0,0,0,0|3,0,1]=4 35 B10R0.71 CC/C=C\COCCCCCl 7a_100000210776_100103147603 [0,0,0,0,0,0|3,0,1]=4 36 B10R0.71 CC/C=C\COCCCCF 34a_100011995726_100103147603 [0,0,0,0,0,0|3,0,1]=4 37 B10R0.71 CC/C=C\COCCCCF 34a_100016268518_100000729493 [0,0,0,0,0,0|3,0,1]=4 38 B10R0.71 CC/C=C\COCCCCF 7a_100011995726_100103147603 [0,0,0,0,0,0|3,0,1]=4 39 B10R0.71 CC/C=C\COCCCCI 34a_200012148704_100103147603 [0,0,0,0,0,0|3,0,1]=4 40 B10R0.71 CC/C=C\COCCCCN 34a_100000750430_100103147603 [0,0,0,0,0,0|3,0,1]=4 41 B10R0.71 CC/C=C\COCCCCO 34a_100016268518_100011216708 [0,0,0,0,0,0|3,0,1]=4 42 B10R0.71 CC/C=C\COCCCNC 34a_100000213112_100103147603 [0,0,0,0,0,0|3,0,1]=4 43 B10R0.71 CC/C=C\COCCCOC 34a_100000740835_100103147603 [0,0,0,0,0,0|3,0,1]=4 44 B10R0.71 CC/C=C\COCCCOC 34a_100016268518_100000740836 [0,0,0,0,0,0|3,0,1]=4 45 B10R0.71 CC/C=C\COCCCSC 34a_100000690336_100103147603 [0,0,0,0,0,0|3,0,1]=4 46 B10R0.71 CC/C=C\COCCCSC 7a_100000690336_100103147603 [0,0,0,0,0,0|3,0,1]=4 47 B10R0.71 CC/C=C\COCCOCC 34a_100000210136_100103147603 [0,0,0,0,0,0|3,0,1]=4 48 B10R0.71 CC/C=C\COCCOCC 34a_100016268518_100000210147 [0,0,0,0,0,0|3,0,1]=4 49 B10R0.71 CC/C=C\COCCOCC 7a_100000210136_100103147603 [0,0,0,0,0,0|3,0,1]=4 50 B10R0.71 CC/C=C\COCCSCC 34a_100000212035_100103147603 [0,0,0,0,0,0|3,0,1]=4 51 B10R0.71 CC/C=C\COCCSCC 34a_100016268518_100000757381 [0,0,0,0,0,0|3,0,1]=4 52 B10R0.71 CC/C=C\COCCSCC 7a_100000212035_100103147603 [0,0,0,0,0,0|3,0,1]=4 53 B10R0.71 CC/C=C\CSCCCCC 62a_100000210326_100103147603 [0,0,0,0,0,0|2,0,1]=3 54 B10R0.71 CC/C=C\CSCCCCC 62a_100103147603_100000210326 [0,0,0,0,0,0|2,0,1]=3 55 B10R0.71 CC/C=C\CSCCCCF 62a_100000729493_100103147603 [0,0,0,0,0,0|3,0,1]=4 56 B10R0.71 CC/C=C\CSCCCCF 62a_100103147603_100000729493 [0,0,0,0,0,0|3,0,1]=4 57 B10R0.71 CC/C=C\CSCCCCO 62a_100000210776_100103147603 [0,0,0,0,0,0|3,0,1]=4 58 B10R0.71 CC/C=C\CSCCCCO 62a_100103147603_100000210776 [0,0,0,0,0,0|3,0,1]=4 59 B10R0.71 CC/C=C\CSCCCOC 62a_100000709357_100103147603 [0,0,0,0,0,0|3,0,1]=4 60 B10R0.71 CC/C=C\CSCCCOC 62a_100103147603_100000709357 [0,0,0,0,0,0|3,0,1]=4 61 B10R0.71 CC/C=C\CSCCOCC 62a_100000210147_100103147603 [0,0,0,0,0,0|3,0,1]=4 62 B10R0.71 CC/C=C\CSCCOCC 62a_100103147603_100011215890 [0,0,0,0,0,0|3,0,1]=4 63 B10R0.71 CC/C=C\CSCCSCC 62a_100000757381_100103147603 [0,0,0,0,0,0|3,0,1]=4 64 B10R0.71 CC/C=C\CSCCSCC 62a_100103147603_100000757381 [0,0,0,0,0,0|3,0,1]=4 65 B10R0.71 CC=CC=CC=NNCCC 4a_100000740057_100000691131 [0,0,0,0,0,0|3,0,1]=4 66 B10R0.71 CCC/C=C/C=C/COCC 34a_100016294078_100000210202 [0,0,0,0,0,0|2,0,2]=4 67 B10R0.71 CCC/C=C/COCCCC 34a_100016278788_100000210210 [0,0,0,0,0,0|2,0,2]=4 68 B10R0.71 CCC/C=C/COCCCC 7a_100016278788_100000210211 [0,0,0,0,0,0|2,0,2]=4 69 B10R0.71 CCC=CC=CC=NNCC 4a_100000756455_100103038579 [0,0,0,0,0,0|3,0,1]=4 70 B10R0.71 CCC=CC=NNCCCC 4a_100025702795_100011216943 [0,0,0,0,0,0|3,0,0]=3 71 B10R0.71 CCCC/C=C/COCCC 34a_200016272032_100000210303 [0,0,0,0,0,0|2,0,2]=4 72 B10R0.71 CCCC/C=C/COCCC 7a_200016272032_100000210303 [0,0,0,0,0,0|2,0,2]=4 73 B10R0.71 CCCC/C=C/COCCO 34a_200016272032_100000211926 [0,0,0,0,0,0|1,0,3]=4 74 B10R0.71 CCCC/C=C/COCCO 7a_200016272032_100000211926 [0,0,0,0,0,0|1,0,3]=4 75 B10R0.71 CCCC/C=C\CCOCC 34a_200016286491_100000210202 [0,0,0,0,0,0|2,0,2]=4 76 B10R0.71 CCCC/C=C\CCOCC 7a_200016286491_100000210202 [0,0,0,0,0,0|2,0,2]=4 77 B10R0.71 CCCC=CC=NNCCC 4a_100000740057_100016266791 [0,0,0,0,0,0|3,0,1]=4 78 B10R0.71 CCCC=NNCCCCC 4a_100000694160_100000185831 [0,0,0,0,0,0|3,0,1]=4 79 B10R0.71 CCCCC/C=C/COCC 34a_100016258190_100000210202 [0,0,0,0,0,0|2,0,1]=3 80 B10R0.71 CCCCC/C=C/COCC 7a_100016258190_100000210202 [0,0,0,0,0,0|2,0,1]=3 81 B10R0.71 CCCCC/C=C/COCF 34a_100016258190_100015361967 [0,0,0,0,0,0|2,0,1]=3 82 B10R0.71 CCCCC/C=C/COCF 7a_100016258190_100015361967 [0,0,0,0,0,0|2,0,1]=3 83 B10R0.71 CCCCC/C=C\CCOC 34a_100016277358_200000210301 [0,0,0,0,0,0|2,0,2]=4 84 B10R0.71 CCCCC/C=C\CCOC 7a_100016277358_200000210301 [0,0,0,0,0,0|2,0,2]=4 85 B10R0.71 CCCCC/C=C\CCO[13CH3] 34a_100016277358_200025704644 [0,0,0,0,0,0|2,0,2]=4 86 B10R0.71 CCCCC/C=C\CCO[13CH3] 7a_100016277358_200025704644 [0,0,0,0,0,0|2,0,2]=4 87 B10R0.71 CCCCC=CC=NNCC 4a_100000756455_100016268198 [0,0,0,0,0,0|3,0,1]=4 88 B10R0.71 CCCCCC/C=C/COC 34a_200016276170_200000210301 [0,0,0,0,0,0|2,0,2]=4 89 B10R0.71 CCCCCC/C=C/COC 7a_200016276170_200000210301 [0,0,0,0,0,0|2,0,2]=4 90 B10R0.71 CCCCCC/C=C/CO[13CH3] 34a_200016276170_200025704644 [0,0,0,0,0,0|2,0,2]=4 91 B10R0.71 CCCCCC/C=C/CO[13CH3] 7a_200016276170_200025704644 [0,0,0,0,0,0|2,0,2]=4 92 B10R0.71 CCCCCC=NNCCC 4a_100000740057_100000737632 [0,0,0,0,0,0|3,0,1]=4 93 B10R0.71 CCCCCC=NNCCO 4a_100000210001_100000737632 [0,0,0,0,0,0|2,0,1]=3 94 B10R0.71 CCCCCCC=NNCC 4a_100000756455_100000234349 [0,0,0,0,0,0|3,0,1]=4 95 B10R0.71 CCCCCCCNCCO 2230a_100000229938_100000211926 [0,0,0,0,0,0|1,0,3]=4 96 B10R0.71 CCCCCCCNCCO 2230a_100016997473_100000210681 [0,0,0,0,0,0|1,0,3]=4 97 B10R0.71 CCCCCCCNCCO 34a_100016990907_100000210614 [0,0,0,0,0,0|1,0,3]=4 98 B10R0.71 CCCCCCCOCCO 34a_100000210272_100000211926 [0,0,0,0,0,0|1,0,3]=4 99 B10R0.71 CCCCCCCOCCO 7a_100000210272_100000211926 [0,0,0,0,0,0|1,0,3]=4 100 B10R0.71 CCCCCCCSCCO 62a_100000210614_100000211926 [0,0,0,0,0,0|1,0,3]=4 101 B10R0.71 CCCCCCCSCCO 62a_100000211926_100000210316 [0,0,0,0,0,0|1,0,3]=4 102 B10R0.71 CCCCCCNCCCO 2230a_100000210581_100000230001 [0,0,0,0,0,0|1,0,3]=4 103 B10R0.71 CCCCCCOCCCO 34a_100000210259_100000230001 [0,0,0,0,0,0|1,0,3]=4 104 B10R0.71 CCCCCCOCCCO 7a_100000210259_100011215043 [0,0,0,0,0,0|1,0,3]=4 105 B10R0.71 CCCCCCSCCCO 62a_100000210314_100011215043 [0,0,0,0,0,0|1,0,3]=4 106 B10R0.71 CCCCCCSCCCO 62a_100011215043_100000210757 [0,0,0,0,0,0|1,0,3]=4 107 B10R0.71 CCCCCNCC#CCO 2230a_100000209983_200000047223 [0,0,0,0,0,0|1,0,3]=4 108 B10R0.71 CCCCCNCCCCO 2230a_100000209983_100000210776 [0,0,0,0,0,0|1,0,3]=4 109 B10R0.71 CCCCCNCCCCO 2230a_100000750430_100000210326 [0,0,0,0,0,0|1,0,3]=4 110 B10R0.71 CCCCCNCCCCO 34a_100000750430_100000718602 [0,0,0,0,0,0|1,0,3]=4 111 B10R0.71 CCCCCOCC#CCO 34a_100000210253_200000047223 [0,0,0,0,0,0|1,0,3]=4 112 B10R0.71 CCCCCOCC#CCO 7a_100000210253_200000047223 [0,0,0,0,0,0|1,0,3]=4 113 B10R0.71 CCCCCOCCCCO 34a_100000210253_100011216708 [0,0,0,0,0,0|1,0,3]=4 114 B10R0.71 CCCCCOCCCCO 7a_100000210253_100000210776 [0,0,0,0,0,0|1,0,3]=4 115 B10R0.71 CCCCCSCC#CCO 62a_100000210326_200000047223 [0,0,0,0,0,0|1,0,3]=4 116 B10R0.71 CCCCCSCC#CCO 62a_200000047223_100000210326 [0,0,0,0,0,0|1,0,3]=4 117 B10R0.71 CCCCCSCCCCO 62a_100000210326_100000210776 [0,0,0,0,0,0|1,0,3]=4 118 B10R0.71 CCCCCSCCCCO 62a_100000210776_100000210326 [0,0,0,0,0,0|1,0,3]=4 119 B10R0.71 OCCCCC=NNCCO 4a_100000210001_100000031955 [0,0,0,0,0,0|3,0,1]=4 120 B9R0.45 C#CCOC/C=C/C=C/C 34a_100016283227_100000184674 [1,0,0,0,0,0|1,0,2]=4 121 B9R0.45 C/C=C/C=C/COCC=O 34a_100016283227_200009817547 [1,0,0,0,0,0|2,0,1]=4 122 B9R0.45 C/C=C/C=C/COCCC 34a_100016283227_100000210303 [1,0,0,0,0,0|1,0,0]=2 123 B9R0.45 C/C=C/C=C/COCCF 34a_100016283227_100011217306 [1,0,0,0,0,0|2,0,0]=3 124 B9R0.45 C/C=C/C=C/COCCO 34a_100016283227_100000211926 [1,0,0,0,0,0|2,0,0]=3 125 B9R0.45 C/C=C/C=C/COCSC 34a_100016283227_100011218213 [1,0,0,0,0,0|2,0,0]=3 126 B9R0.45 C/C=C/CCOCCCC 34a_100016278192_100000210210 [1,0,0,0,0,0|1,0,2]=4 127 B9R0.45 C/C=C/CNCCCCO 34a_100000750430_100102629194 [1,0,0,0,0,0|2,0,1]=4 128 B9R0.45 C/C=C/CNCCCOC 34a_100150723488_100102629194 [1,0,0,0,0,0|2,0,1]=4 129 B9R0.45 C/C=C/CNCCOCC 34a_102516460346_100102629194 [1,0,0,0,0,0|2,0,1]=4 130 B9R0.45 C/C=C/COCCCCBr 34a_100011216708_100102629194 [1,0,0,0,0,0|2,0,1]=4 131 B9R0.45 C/C=C/COCCCCC 34a_100000210253_100102629194 [1,0,0,0,0,0|1,0,1]=3 132 B9R0.45 C/C=C/COCCCCC 34a_100016270725_100000718602 [1,0,0,0,0,0|1,0,1]=3 133 B9R0.45 C/C=C/COCCCCC 7a_100000210253_100102629194 [1,0,0,0,0,0|1,0,1]=3 134 B9R0.45 C/C=C/COCCCCCl 34a_100000210776_100102629194 [1,0,0,0,0,0|2,0,1]=4 135 B9R0.45 C/C=C/COCCCCCl 7a_100000210776_100102629194 [1,0,0,0,0,0|2,0,1]=4 136 B9R0.45 C/C=C/COCCCCF 34a_100011995726_100102629194 [1,0,0,0,0,0|2,0,1]=4 137 B9R0.45 C/C=C/COCCCCF 34a_100016270725_100000729493 [1,0,0,0,0,0|2,0,1]=4 138 B9R0.45 C/C=C/COCCCCF 7a_100011995726_100102629194 [1,0,0,0,0,0|2,0,1]=4 139 B9R0.45 C/C=C/COCCCCI 34a_200012148704_100102629194 [1,0,0,0,0,0|2,0,1]=4 140 B9R0.45 C/C=C/COCCCCN 34a_100000750430_100102629194 [1,0,0,0,0,0|2,0,1]=4 141 B9R0.45 C/C=C/COCCCCO 34a_100016270725_100011216708 [1,0,0,0,0,0|2,0,1]=4 142 B9R0.45 C/C=C/COCCCNC 34a_100000213112_100102629194 [1,0,0,0,0,0|2,0,1]=4 143 B9R0.45 C/C=C/COCCCOC 34a_100000740835_100102629194 [1,0,0,0,0,0|2,0,1]=4 144 B9R0.45 C/C=C/COCCCOC 34a_100016270725_100000740836 [1,0,0,0,0,0|2,0,1]=4 145 B9R0.45 C/C=C/COCCCSC 34a_100000690336_100102629194 [1,0,0,0,0,0|2,0,1]=4 146 B9R0.45 C/C=C/COCCCSC 7a_100000690336_100102629194 [1,0,0,0,0,0|2,0,1]=4 147 B9R0.45 C/C=C/COCCOCC 34a_100000210136_100102629194 [1,0,0,0,0,0|2,0,1]=4 148 B9R0.45 C/C=C/COCCOCC 34a_100016270725_100000210147 [1,0,0,0,0,0|2,0,1]=4 149 B9R0.45 C/C=C/COCCOCC 7a_100000210136_100102629194 [1,0,0,0,0,0|2,0,1]=4 150 B9R0.45 C/C=C/COCCSCC 34a_100000212035_100102629194 [1,0,0,0,0,0|2,0,1]=4 151 B9R0.45 C/C=C/COCCSCC 34a_100016270725_100000757381 [1,0,0,0,0,0|2,0,1]=4 152 B9R0.45 C/C=C/COCCSCC 7a_100000212035_100102629194 [1,0,0,0,0,0|2,0,1]=4 153 B9R0.45 C/C=C/CSCCCCC 62a_100000210326_100102629194 [1,0,0,0,0,0|1,0,1]=3 154 B9R0.45 C/C=C/CSCCCCC 62a_100102629194_100000210326 [1,0,0,0,0,0|1,0,1]=3 155 B9R0.45 C/C=C/CSCCCCF 62a_100000729493_100102629194 [1,0,0,0,0,0|2,0,1]=4 156 B9R0.45 C/C=C/CSCCCCF 62a_100102629194_100000729493 [1,0,0,0,0,0|2,0,1]=4 157 B9R0.45 C/C=C/CSCCCCO 62a_100000210776_100102629194 [1,0,0,0,0,0|2,0,1]=4 158 B9R0.45 C/C=C/CSCCCCO 62a_100102629194_100000210776 [1,0,0,0,0,0|2,0,1]=4 159 B9R0.45 C/C=C/CSCCCOC 62a_100000709357_100102629194 [1,0,0,0,0,0|2,0,1]=4 160 B9R0.45 C/C=C/CSCCCOC 62a_100102629194_100000709357 [1,0,0,0,0,0|2,0,1]=4 161 B9R0.45 C/C=C/CSCCOCC 62a_100000210147_100102629194 [1,0,0,0,0,0|2,0,1]=4 162 B9R0.45 C/C=C/CSCCOCC 62a_100102629194_100011215890 [1,0,0,0,0,0|2,0,1]=4 163 B9R0.45 C/C=C/CSCCSCC 62a_100000757381_100102629194 [1,0,0,0,0,0|2,0,1]=4 164 B9R0.45 C/C=C/CSCCSCC 62a_100102629194_100000757381 [1,0,0,0,0,0|2,0,1]=4 165 B9R0.45 C=CCOC/C=C/C=C/C 34a_100016283227_100015514636 [1,0,0,0,0,0|1,0,2]=4 166 B9R0.45 CC/C=C/CCCOCC 34a_100016287902_100000210202 [1,0,0,0,0,0|1,0,2]=4 167 B9R0.45 CC/C=C/CCCOCC 7a_100016287902_100000210202 [1,0,0,0,0,0|1,0,2]=4 168 B9R0.45 CC/C=C\CCCCOC 34a_100016287862_200000210301 [1,0,0,0,0,0|1,0,2]=4 169 B9R0.45 CC/C=C\CCCCOC 7a_100016287862_200000210301 [1,0,0,0,0,0|1,0,2]=4 170 B9R0.45 CC/C=C\CCCCO[13CH3] 34a_100016287862_200025704644 [1,0,0,0,0,0|1,0,2]=4 171 B9R0.45 CC/C=C\CCCCO[13CH3] 7a_100016287862_200025704644 [1,0,0,0,0,0|1,0,2]=4 172 B9R0.45 CC/C=C\CCOCCC 34a_100000210258_100015370543 [1,0,0,0,0,0|1,0,2]=4 173 B9R0.45 CC/C=C\CCOCCC 34a_100016288707_100000210303 [1,0,0,0,0,0|1,0,2]=4 174 B9R0.45 CC/C=C\CCOCCC 7a_100016288707_100000210303 [1,0,0,0,0,0|1,0,2]=4 175 B9R0.45 CC/C=C\CCSCCC 62a_100000210303_100015370543 [1,0,0,0,0,0|1,0,2]=4 176 B9R0.45 CC/C=C\CCSCCC 62a_100015370543_100000210303 [1,0,0,0,0,0|1,0,2]=4 177 B9R0.45 CC/C=C\CNCCCC 2230a_100000102301_100103147603 [1,0,0,0,0,0|1,0,2]=4 178 B9R0.45 CC/C=C\CNCCCC 7a_106832991798_100103147603 [1,0,0,0,0,0|1,0,2]=4 179 B9R0.45 CC/C=C\COCCCC 34a_100000210227_100103147603 [1,0,0,0,0,0|1,0,2]=4 180 B9R0.45 CC/C=C\COCCCC 34a_100016268518_100000210210 [1,0,0,0,0,0|1,0,2]=4 181 B9R0.45 CC/C=C\COCCCC 7a_100000210227_100103147603 [1,0,0,0,0,0|1,0,2]=4 182 B9R0.45 CC/C=C\CSCCCC 62a_100000210211_100103147603 [1,0,0,0,0,0|1,0,2]=4 183 B9R0.45 CC/C=C\CSCCCC 62a_100103147603_100000210210 [1,0,0,0,0,0|1,0,2]=4 184 B9R0.45 CC=C=CCCOCCC 34a_100011020354_100000210303 [1,0,0,0,0,0|1,0,2]=4 185 B9R0.45 CC=CC=CC=NNCC 4a_100000756455_100000691131 [1,0,0,0,0,0|2,0,1]=4 186 B9R0.45 CC=CCCCOCCC 34a_100020645299_100000210303 [1,0,0,0,0,0|1,0,2]=4 187 B9R0.45 CC=CCNCCCCC 2230a_100000209983_100000070051 [1,0,0,0,0,0|1,0,1]=3 188 B9R0.45 CC=CCNCCCCO 2230a_100000750430_100000070051 [1,0,0,0,0,0|2,0,1]=4 189 B9R0.45 CC=CCNCCCCO 34a_100000750430_100000070051 [1,0,0,0,0,0|2,0,1]=4 190 B9R0.45 CC=CCNCCCOC 34a_100150723488_100000070051 [1,0,0,0,0,0|2,0,1]=4 191 B9R0.45 CC=CCNCCCSC 2230a_100000749238_100000070051 [1,0,0,0,0,0|2,0,1]=4 192 B9R0.45 CC=CCNCCOCC 2230a_102516460346_100000070051 [1,0,0,0,0,0|2,0,1]=4 193 B9R0.45 CC=CCNCCOCC 34a_102516460346_100000070051 [1,0,0,0,0,0|2,0,1]=4 194 B9R0.45 CC=CCNCCSCC 2230a_100000106463_100000070051 [1,0,0,0,0,0|2,0,1]=4 195 B9R0.45 CC=CCOCCCCBr 34a_100011216708_100000070051 [1,0,0,0,0,0|2,0,1]=4 196 B9R0.45 CC=CCOCCCCC 34a_100000210253_100000070051 [1,0,0,0,0,0|1,0,1]=3 197 B9R0.45 CC=CCOCCCCC 7a_100000210253_100000070051 [1,0,0,0,0,0|1,0,1]=3 198 B9R0.45 CC=CCOCCCCCl 34a_100000210776_100000070051 [1,0,0,0,0,0|2,0,1]=4 199 B9R0.45 CC=CCOCCCCCl 7a_100000210776_100000070051 [1,0,0,0,0,0|2,0,1]=4 200 B9R0.45 CC=CCOCCCCF 34a_100011995726_100000070051 [1,0,0,0,0,0|2,0,1]=4 201 B9R0.45 CC=CCOCCCCF 7a_100011995726_100000070051 [1,0,0,0,0,0|2,0,1]=4 202 B9R0.45 CC=CCOCCCCI 34a_200012148704_100000070051 [1,0,0,0,0,0|2,0,1]=4 203 B9R0.45 CC=CCOCCCCN 34a_100000750430_100000070051 [1,0,0,0,0,0|2,0,1]=4 204 B9R0.45 CC=CCOCCCNC 34a_100000213112_100000070051 [1,0,0,0,0,0|2,0,1]=4 205 B9R0.45 CC=CCOCCCOC 34a_100000740835_100000070051 [1,0,0,0,0,0|2,0,1]=4 206 B9R0.45 CC=CCOCCCSC 34a_100000690336_100000070051 [1,0,0,0,0,0|2,0,1]=4 207 B9R0.45 CC=CCOCCCSC 7a_100000690336_100000070051 [1,0,0,0,0,0|2,0,1]=4 208 B9R0.45 CC=CCOCCOCC 34a_100000210136_100000070051 [1,0,0,0,0,0|2,0,1]=4 209 B9R0.45 CC=CCOCCOCC 7a_100000210136_100000070051 [1,0,0,0,0,0|2,0,1]=4 210 B9R0.45 CC=CCOCCSCC 34a_100000212035_100000070051 [1,0,0,0,0,0|2,0,1]=4 211 B9R0.45 CC=CCOCCSCC 7a_100000212035_100000070051 [1,0,0,0,0,0|2,0,1]=4 212 B9R0.45 CC=CCSCCCCC 62a_100000070051_100000210326 [1,0,0,0,0,0|1,0,1]=3 213 B9R0.45 CC=CCSCCCCC 62a_100000210326_100000070051 [1,0,0,0,0,0|1,0,1]=3 214 B9R0.45 CC=CCSCCCCF 62a_100000070051_100000729493 [1,0,0,0,0,0|2,0,1]=4 215 B9R0.45 CC=CCSCCCCF 62a_100000729493_100000070051 [1,0,0,0,0,0|2,0,1]=4 216 B9R0.45 CC=CCSCCCCO 62a_100000070051_100000210776 [1,0,0,0,0,0|2,0,1]=4 217 B9R0.45 CC=CCSCCCCO 62a_100000210776_100000070051 [1,0,0,0,0,0|2,0,1]=4 218 B9R0.45 CC=CCSCCCOC 62a_100000070051_100000709357 [1,0,0,0,0,0|2,0,1]=4 219 B9R0.45 CC=CCSCCCOC 62a_100000709357_100000070051 [1,0,0,0,0,0|2,0,1]=4 220 B9R0.45 CC=CCSCCOCC 62a_100000070051_100011215890 [1,0,0,0,0,0|2,0,1]=4 221 B9R0.45 CC=CCSCCOCC 62a_100000210147_100000070051 [1,0,0,0,0,0|2,0,1]=4 222 B9R0.45 CC=CCSCCSCC 62a_100000070051_100000757381 [1,0,0,0,0,0|2,0,1]=4 223 B9R0.45 CC=CCSCCSCC 62a_100000757381_100000070051 [1,0,0,0,0,0|2,0,1]=4 224 B9R0.45 CCC/C=C/COCCC 34a_100016278788_100000210303 [1,0,0,0,0,0|1,0,2]=4 225 B9R0.45 CCC/C=C/COCCC 7a_100016278788_100000210303 [1,0,0,0,0,0|1,0,2]=4 226 B9R0.45 CCC=CC=NNCCC 4a_100000740057_100011216943 [1,0,0,0,0,0|2,0,1]=4 227 B9R0.45 CCC=NNCCCCC 4a_100000694160_100000210100 [1,0,0,0,0,0|2,0,1]=4 228 B9R0.45 CCCC/C=C/COCC 34a_200016272032_100000210202 [1,0,0,0,0,0|2,0,1]=4 229 B9R0.45 CCCC/C=C/COCC 7a_200016272032_100000210202 [1,0,0,0,0,0|2,0,1]=4 230 B9R0.45 CCCC/C=C/COCF 34a_200016272032_100015361967 [1,0,0,0,0,0|2,0,1]=4 231 B9R0.45 CCCC/C=C/COCF 7a_200016272032_100015361967 [1,0,0,0,0,0|2,0,1]=4 232 B9R0.45 CCCCC/C=C/COC 34a_100016258190_200000210301 [1,0,0,0,0,0|1,0,1]=3 233 B9R0.45 CCCCC/C=C/COC 7a_100016258190_200000210301 [1,0,0,0,0,0|1,0,1]=3 234 B9R0.45 CCCCC/C=C/CO[13CH3] 34a_100016258190_200025704644 [1,0,0,0,0,0|1,0,1]=3 235 B9R0.45 CCCCC/C=C/CO[13CH3] 7a_100016258190_200025704644 [1,0,0,0,0,0|1,0,1]=3 236 B9R0.45 CCCCC=NNCCO 4a_100000210001_100000210104 [1,0,0,0,0,0|2,0,1]=4 237 B9R0.45 CCCCCC=NNCC 4a_100000756455_100000737632 [1,0,0,0,0,0|2,0,1]=4 238 B9R0.45 CCCCCCNCCO 2230a_100000210581_100000211926 [1,0,0,0,0,0|1,0,2]=4 239 B9R0.45 CCCCCCNCCO 2230a_100016997473_100000210314 [1,0,0,0,0,0|1,0,2]=4 240 B9R0.45 CCCCCCNCCO 34a_100016990907_100000210314 [1,0,0,0,0,0|1,0,2]=4 241 B9R0.45 CCCCCCOCCO 34a_100000210259_100000211926 [1,0,0,0,0,0|1,0,2]=4 242 B9R0.45 CCCCCCOCCO 7a_100000210259_100000211926 [1,0,0,0,0,0|1,0,2]=4 243 B9R0.45 CCCCCCSCCO 62a_100000210314_100000211926 [1,0,0,0,0,0|1,0,2]=4 244 B9R0.45 CCCCCCSCCO 62a_100000211926_100000210757 [1,0,0,0,0,0|1,0,2]=4 245 B9R0.45 CCCCCNCCCO 2230a_100000209983_100000230001 [1,0,0,0,0,0|1,0,2]=4 246 B9R0.45 CCCCCOCCCO 34a_100000210253_100000230001 [1,0,0,0,0,0|1,0,2]=4 247 B9R0.45 CCCCCOCCCO 7a_100000210253_100011215043 [1,0,0,0,0,0|1,0,2]=4 248 B9R0.45 CCCCCSCCCO 62a_100000210326_100011215043 [1,0,0,0,0,0|1,0,2]=4 249 B9R0.45 CCCCCSCCCO 62a_100011215043_100000210326 [1,0,0,0,0,0|1,0,2]=4 250 B11R0.3 C#CCOC/C=C/CCCCC 34a_100016258190_100000184674 [0,1,0,0,0,0|2,0,1]=4 251 B11R0.3 C#CCOC/C=C/CCCCC 7a_100016258190_100000038162 [0,1,0,0,0,0|2,0,1]=4 252 B11R0.3 C/C=C/C=C/COCCCCC 34a_100016283227_100000718602 [0,1,0,0,0,0|1,0,2]=4 253 B11R0.3 C=CCOC/C=C/CCCCC 34a_100016258190_100015514636 [0,1,0,0,0,0|2,0,1]=4 254 B11R0.3 C=CCOC/C=C/CCCCC 7a_100016258190_100015514636 [0,1,0,0,0,0|2,0,1]=4 255 B11R0.3 CC/C=C/C/C=C/CCOCC 34a_200016273837_100000210202 [0,1,0,0,0,0|2,0,0]=3 256 B11R0.3 CC/C=C/C/C=C/CCOCC 7a_200016273837_100000210202 [0,1,0,0,0,0|2,0,0]=3 257 B11R0.3 CC/C=C/C/C=C/CCOCF 34a_200016273837_100015361967 [0,1,0,0,0,0|3,0,0]=4 258 B11R0.3 CC/C=C/C/C=C/CCOCF 7a_200016273837_100015361967 [0,1,0,0,0,0|3,0,0]=4 259 B11R0.3 CC/C=C/CCCOCCCC 34a_100016287902_100000210210 [0,1,0,0,0,0|1,0,2]=4 260 B11R0.3 CC/C=C/CCCOCCCC 7a_100016287902_100000210211 [0,1,0,0,0,0|1,0,2]=4 261 B11R0.3 CC/C=C\CCCCCNCC 269862a_100015525214_100016288537 [0,1,0,0,0,0|1,0,2]=4 262 B11R0.3 CC/C=C\CCCCCOCC 34a_100016268722_100000210202 [0,1,0,0,0,0|1,0,2]=4 263 B11R0.3 CC/C=C\CCCCCOCC 7a_100016268722_100000210202 [0,1,0,0,0,0|1,0,2]=4 264 B11R0.3 CC/C=C\CCCCOCCC 34a_100016287862_100000210303 [0,1,0,0,0,0|1,0,2]=4 265 B11R0.3 CC/C=C\CCCCOCCC 7a_100016287862_100000210303 [0,1,0,0,0,0|1,0,2]=4 266 B11R0.3 CC/C=C\CCNCCCCC 2230a_100000209983_100015370543 [0,1,0,0,0,0|1,0,2]=4 267 B11R0.3 CC/C=C\CCOCCCCC 34a_100000210253_100015370543 [0,1,0,0,0,0|1,0,2]=4 268 B11R0.3 CC/C=C\CCOCCCCC 34a_100016288707_100000718602 [0,1,0,0,0,0|1,0,2]=4 269 B11R0.3 CC/C=C\CCOCCCCC 7a_100000210253_100015370543 [0,1,0,0,0,0|1,0,2]=4 270 B11R0.3 CC/C=C\CCOCCCCC 7a_100016288707_100000210326 [0,1,0,0,0,0|1,0,2]=4 271 B11R0.3 CC/C=C\CCSCCCCC 62a_100000210326_100015370543 [0,1,0,0,0,0|1,0,2]=4 272 B11R0.3 CC/C=C\CCSCCCCC 62a_100015370543_100000210326 [0,1,0,0,0,0|1,0,2]=4 273 B11R0.3 CC/C=C\CNCCCCCC 2230a_100000210581_100103147603 [0,1,0,0,0,0|1,0,2]=4 274 B11R0.3 CC/C=C\CNCCCCCO 2230a_100000762737_100103147603 [0,1,0,0,0,0|2,0,1]=4 275 B11R0.3 CC/C=C\CNCCCCCO 34a_100000762737_100103147603 [0,1,0,0,0,0|2,0,1]=4 276 B11R0.3 CC/C=C\CNCCCOCC 2230a_100000210961_100103147603 [0,1,0,0,0,0|2,0,1]=4 277 B11R0.3 CC/C=C\CNCCCOCC 34a_100000210961_100103147603 [0,1,0,0,0,0|2,0,1]=4 278 B11R0.3 CC/C=C\CNCCOCCC 2230a_100161115042_100103147603 [0,1,0,0,0,0|2,0,1]=4 279 B11R0.3 CC/C=C\CNCCOCCC 34a_100161115042_100103147603 [0,1,0,0,0,0|2,0,1]=4 280 B11R0.3 CC/C=C\CNCCSCCC 2230a_100020603323_100103147603 [0,1,0,0,0,0|2,0,1]=4 281 B11R0.3 CC/C=C\COCCCCCBr 34a_100000746331_100103147603 [0,1,0,0,0,0|2,0,1]=4 282 B11R0.3 CC/C=C\COCCCCCBr 7a_100000746331_100103147603 [0,1,0,0,0,0|2,0,1]=4 283 B11R0.3 CC/C=C\COCCCCCC 34a_100000210259_100103147603 [0,1,0,0,0,0|1,0,2]=4 284 B11R0.3 CC/C=C\COCCCCCC 34a_100016268518_100000210314 [0,1,0,0,0,0|1,0,2]=4 285 B11R0.3 CC/C=C\COCCCCCC 7a_100000210259_100103147603 [0,1,0,0,0,0|1,0,2]=4 286 B11R0.3 CC/C=C\COCCCCCCl 34a_100000746330_100103147603 [0,1,0,0,0,0|2,0,1]=4 287 B11R0.3 CC/C=C\COCCCCCCl 7a_100000746330_100103147603 [0,1,0,0,0,0|2,0,1]=4 288 B11R0.3 CC/C=C\COCCCCCF 34a_100016268518_100000729378 [0,1,0,0,0,0|2,0,1]=4 289 B11R0.3 CC/C=C\COCCCCCI 34a_200012148887_100103147603 [0,1,0,0,0,0|2,0,1]=4 290 B11R0.3 CC/C=C\COCCCCCI 7a_200012148887_100103147603 [0,1,0,0,0,0|2,0,1]=4 291 B11R0.3 CC/C=C\COCCCCCN 34a_100000762737_100103147603 [0,1,0,0,0,0|2,0,1]=4 292 B11R0.3 CC/C=C\COCCCCCO 34a_100016268518_100000746330 [0,1,0,0,0,0|2,0,1]=4 293 B11R0.3 CC/C=C\COCCCCOC 34a_100000740925_100103147603 [0,1,0,0,0,0|2,0,1]=4 294 B11R0.3 CC/C=C\COCCCCOC 34a_100016268518_100000755781 [0,1,0,0,0,0|2,0,1]=4 295 B11R0.3 CC/C=C\COCCCCSC 34a_100011217163_100103147603 [0,1,0,0,0,0|2,0,1]=4 296 B11R0.3 CC/C=C\COCCCCSC 7a_100011217163_100103147603 [0,1,0,0,0,0|2,0,1]=4 297 B11R0.3 CC/C=C\COCCCOCC 34a_100000757476_100103147603 [0,1,0,0,0,0|2,0,1]=4 298 B11R0.3 CC/C=C\COCCCOCC 34a_100016268518_100012232248 [0,1,0,0,0,0|2,0,1]=4 299 B11R0.3 CC/C=C\COCCCOCC 7a_100000757476_100103147603 [0,1,0,0,0,0|2,0,1]=4 300 B11R0.3 CC/C=C\COCCCSCC 34a_100011216438_100103147603 [0,1,0,0,0,0|2,0,1]=4 301 B11R0.3 CC/C=C\COCCCSCC 7a_100011216438_100103147603 [0,1,0,0,0,0|2,0,1]=4 302 B11R0.3 CC/C=C\COCCOCCC 34a_100000752267_100103147603 [0,1,0,0,0,0|2,0,1]=4 303 B11R0.3 CC/C=C\COCCOCCC 34a_100016268518_100011215938 [0,1,0,0,0,0|2,0,1]=4 304 B11R0.3 CC/C=C\COCCOCCC 7a_100000752267_100103147603 [0,1,0,0,0,0|2,0,1]=4 305 B11R0.3 CC/C=C\COCCSCCC 34a_200000230433_100103147603 [0,1,0,0,0,0|2,0,1]=4 306 B11R0.3 CC/C=C\COCCSCCC 7a_200000230433_100103147603 [0,1,0,0,0,0|2,0,1]=4 307 B11R0.3 CC/C=C\COCOCCCC 34a_100016268518_100011995733 [0,1,0,0,0,0|2,0,1]=4 308 B11R0.3 CC/C=C\CSCCCCCC 62a_100000210314_100103147603 [0,1,0,0,0,0|1,0,2]=4 309 B11R0.3 CC/C=C\CSCCCCCC 62a_100103147603_100000210757 [0,1,0,0,0,0|1,0,2]=4 310 B11R0.3 CC/C=C\CSCCCCCF 62a_100000729378_100103147603 [0,1,0,0,0,0|2,0,1]=4 311 B11R0.3 CC/C=C\CSCCCCCF 62a_100103147603_100000729378 [0,1,0,0,0,0|2,0,1]=4 312 B11R0.3 CC/C=C\CSCCCCCO 62a_100000746330_100103147603 [0,1,0,0,0,0|2,0,1]=4 313 B11R0.3 CC/C=C\CSCCCCCO 62a_100103147603_100000746330 [0,1,0,0,0,0|2,0,1]=4 314 B11R0.3 CC/C=C\CSCCCCOC 62a_100000730899_100103147603 [0,1,0,0,0,0|2,0,1]=4 315 B11R0.3 CC/C=C\CSCCCCOC 62a_100103147603_100000730899 [0,1,0,0,0,0|2,0,1]=4 316 B11R0.3 CC/C=C\CSCCCOCC 62a_100012232248_100103147603 [0,1,0,0,0,0|2,0,1]=4 317 B11R0.3 CC/C=C\CSCCCOCC 62a_100103147603_100012232248 [0,1,0,0,0,0|2,0,1]=4 318 B11R0.3 CC/C=C\CSCCOCCC 62a_100011215938_100103147603 [0,1,0,0,0,0|2,0,1]=4 319 B11R0.3 CC/C=C\CSCCOCCC 62a_100103147603_100011215938 [0,1,0,0,0,0|2,0,1]=4 320 B11R0.3 CC/C=C\CSCOCCCC 62a_100011995733_100103147603 [0,1,0,0,0,0|2,0,1]=4 321 B11R0.3 CC/C=C\CSCOCCCC 62a_100103147603_100011995733 [0,1,0,0,0,0|2,0,1]=4 322 B11R0.3 CC=CC=CC=NNCCCC 4a_100025702795_100000691131 [0,1,0,0,0,0|2,0,1]=4 323 B11R0.3 CCC/C=C/C=C/COCCC 34a_100016294078_100000210303 [0,1,0,0,0,0|2,0,0]=3 324 B11R0.3 CCC/C=C/C=C/COCCF 34a_100016294078_100011217306 [0,1,0,0,0,0|3,0,0]=4 325 B11R0.3 CCC/C=C/C=C/COCCO 34a_100016294078_100000211926 [0,1,0,0,0,0|3,0,0]=4 326 B11R0.3 CCC/C=C/C=C/COCSC 34a_100016294078_100011218213 [0,1,0,0,0,0|3,0,0]=4 327 B11R0.3 CCC/C=C/COCCCCC 34a_100016278788_100000718602 [0,1,0,0,0,0|1,0,2]=4 328 B11R0.3 CCC/C=C/COCCCCC 7a_100016278788_100000210326 [0,1,0,0,0,0|1,0,2]=4 329 B11R0.3 CCC=CC=CC=NNCCC 4a_100000740057_100103038579 [0,1,0,0,0,0|2,0,1]=4 330 B11R0.3 CCC=CC=NNCCCCC 4a_100000694160_100011216943 [0,1,0,0,0,0|2,0,0]=3 331 B11R0.3 CCC=CC=NNCCOCC 4a_100000732670_100011216943 [0,1,0,0,0,0|3,0,0]=4 332 B11R0.3 CCCC/C=C/CCCCOC 34a_200020645093_200000210301 [0,1,0,0,0,0|1,0,2]=4 333 B11R0.3 CCCC/C=C/CCCCOC 7a_200020645093_200000210301 [0,1,0,0,0,0|1,0,2]=4 334 B11R0.3 CCCC/C=C/CCCCO[13CH3] 34a_200020645093_200025704644 [0,1,0,0,0,0|1,0,2]=4 335 B11R0.3 CCCC/C=C/CCCCO[13CH3] 7a_200020645093_200025704644 [0,1,0,0,0,0|1,0,2]=4 336 B11R0.3 CCCC/C=C/COCCCC 34a_200016272032_100000210210 [0,1,0,0,0,0|1,0,2]=4 337 B11R0.3 CCCC/C=C/COCCCC 7a_200016272032_100000210211 [0,1,0,0,0,0|1,0,2]=4 338 B11R0.3 CCCC/C=C\CCOCCC 34a_200016286491_100000210303 [0,1,0,0,0,0|1,0,2]=4 339 B11R0.3 CCCC/C=C\CCOCCC 7a_200016286491_100000210303 [0,1,0,0,0,0|1,0,2]=4 340 B11R0.3 CCCC=CC=NNCCCC 4a_100025702795_100016266791 [0,1,0,0,0,0|2,0,1]=4 341 B11R0.3 CCCCC/C=C/C=C/COC 34a_200014065772_200000210301 [0,1,0,0,0,0|0,0,0]=1 342 B11R0.3 CCCCC/C=C/C=C/COC 7a_200014065772_200000210301 [0,1,0,0,0,0|0,0,0]=1 343 B11R0.3 CCCCC/C=C/C=C/CO[13CH3] 34a_200014065772_200025704644 [0,1,0,0,0,0|0,0,0]=1 344 B11R0.3 CCCCC/C=C/C=C/CO[13CH3] 7a_200014065772_200025704644 [0,1,0,0,0,0|0,0,0]=1 345 B11R0.3 CCCCC/C=C/COCC#N 7a_100016258190_100011215382 [0,1,0,0,0,0|2,0,1]=4 346 B11R0.3 CCCCC/C=C/COCC=O 34a_100016258190_200009817547 [0,1,0,0,0,0|1,0,2]=4 347 B11R0.3 CCCCC/C=C/COCC=O 7a_100016258190_200015260668 [0,1,0,0,0,0|1,0,2]=4 348 B11R0.3 CCCCC/C=C/COCCC 34a_100016258190_100000210303 [0,1,0,0,0,0|1,0,2]=4 349 B11R0.3 CCCCC/C=C/COCCC 7a_100016258190_100000210303 [0,1,0,0,0,0|1,0,2]=4 350 B11R0.3 CCCCC/C=C/COCCF 34a_100016258190_100011217306 [0,1,0,0,0,0|1,0,2]=4 351 B11R0.3 CCCCC/C=C/COCCF 7a_100016258190_100011217306 [0,1,0,0,0,0|1,0,2]=4 352 B11R0.3 CCCCC/C=C/COCCO 34a_100016258190_100000211926 [0,1,0,0,0,0|0,0,2]=3 353 B11R0.3 CCCCC/C=C/COCCO 7a_100016258190_100000211926 [0,1,0,0,0,0|0,0,2]=3 354 B11R0.3 CCCCC/C=C/COCSC 34a_100016258190_100011218213 [0,1,0,0,0,0|1,1,1]=4 355 B11R0.3 CCCCC/C=C\CCCOC 34a_100020655193_200000210301 [0,1,0,0,0,0|0,0,2]=3 356 B11R0.3 CCCCC/C=C\CCCOC 7a_100020655193_200000210301 [0,1,0,0,0,0|0,0,2]=3 357 B11R0.3 CCCCC/C=C\CCCO[13CH3] 34a_100020655193_200025704644 [0,1,0,0,0,0|0,0,2]=3 358 B11R0.3 CCCCC/C=C\CCCO[13CH3] 7a_100020655193_200025704644 [0,1,0,0,0,0|0,0,2]=3 359 B11R0.3 CCCCC/C=C\CCOCC 34a_100016277358_100000210202 [0,1,0,0,0,0|1,0,2]=4 360 B11R0.3 CCCCC/C=C\CCOCC 7a_100016277358_100000210202 [0,1,0,0,0,0|1,0,2]=4 361 B11R0.3 CCCCC/C=C\CCOCF 34a_100016277358_100015361967 [0,1,0,0,0,0|1,0,2]=4 362 B11R0.3 CCCCC/C=C\CCOCF 7a_100016277358_100015361967 [0,1,0,0,0,0|1,0,2]=4 363 B11R0.3 CCCCC=CC=NNCCO 4a_100000210001_100016268198 [0,1,0,0,0,0|1,0,2]=4 364 B11R0.3 CCCCCC/C=C/COCC 34a_200016276170_100000210202 [0,1,0,0,0,0|1,0,2]=4 365 B11R0.3 CCCCCC/C=C/COCC 7a_200016276170_100000210202 [0,1,0,0,0,0|1,0,2]=4 366 B11R0.3 CCCCCC/C=C/COCF 34a_200016276170_100015361967 [0,1,0,0,0,0|1,0,2]=4 367 B11R0.3 CCCCCC/C=C/COCF 7a_200016276170_100015361967 [0,1,0,0,0,0|1,0,2]=4 368 B11R0.3 CCCCCC=CC=NNCC 4a_100000756455_100016268540 [0,1,0,0,0,0|2,0,0]=3 369 B11R0.3 CCCCCCC=NNCCO 4a_100000210001_100000234349 [0,1,0,0,0,0|1,0,2]=4 370 B11R0.4 C#CCC(=O)C=CCCCCC 1458a_100016263427_100000184674 [0,1,0,0,0,0|1,0,2]=4 371 B11R0.4 C=CCC(=O)C=CCCCCC 1458a_100016263427_100000210623 [0,1,0,0,0,0|1,0,2]=4 372 B11R0.4 CC/C=C(\C)/C=NNCCCC 4a_100025702795_100020678925 [0,1,0,0,0,0|3,0,0]=4 373 B11R0.4 CC/C=C\COCC(C)CCC 34a_100000688023_100103147603 [0,1,0,0,0,0|2,0,1]=4 374 B11R0.4 CC/C=C\COCC(C)CCC 34a_100016268518_100011216630 [0,1,0,0,0,0|2,0,1]=4 375 B11R0.4 CC/C=C\COCC(C)CCC 7a_100000688023_100103147603 [0,1,0,0,0,0|2,0,1]=4 376 B11R0.4 CC/C=C\COC[C@@H](N)CCC 34a_100000732646_100103147603 [0,1,0,0,0,0|2,0,1]=4 377 B11R0.4 CC/C=C\CSCC(C)CCC 62a_100011216630_100103147603 [0,1,0,0,0,0|2,0,1]=4 378 B11R0.4 CC/C=C\CSCC(C)CCC 62a_100103147603_100011216630 [0,1,0,0,0,0|2,0,1]=4 379 B11R0.4 CCC/C=C/C=CC(=O)CCO 1458a_200016258893_100000211926 [0,1,0,0,0,0|0,0,3]=4 380 B11R0.4 CCCC/C=C/CC(=O)CCO 1458a_200016282684_100000211926 [0,1,0,0,0,0|0,0,3]=4 381 B11R0.4 CCCCCC#CC(=O)CCO 1458a_100011215388_100000211926 [0,1,0,0,0,0|0,0,3]=4 382 B11R0.4 CCCCCC=CC(=O)CC#N 1458a_100016263427_100011214920 [0,1,0,0,0,0|1,0,2]=4 383 B11R0.4 CCCCCC=CC(=O)CCC 1458a_100016263427_100000210303 [0,1,0,0,0,0|1,0,1]=3 384 B11R0.4 CCCCCC=CC(=O)CCF 1458a_100016263427_100011217306 [0,1,0,0,0,0|1,0,1]=3 385 B11R0.4 CCCCCC=CC(=O)CCO 1458a_100016263427_100000211926 [0,1,0,0,0,0|0,0,1]=2 386 B11R0.4 CCCCCC=CC(=O)NCC 11a_100015525214_100016263427 [0,1,0,0,0,0|2,0,0]=3 387 B11R0.4 CCCCCC=CC(=O)NCC 240690a_100015525214_100016263427 [0,1,0,0,0,0|2,0,0]=3 388 B11R0.4 CCCCCC=CC(=O)NNC 22a_100016993582_100016263427 [0,1,0,0,0,0|3,0,0]=4 389 B11R0.4 CCCCCCCC(=O)CCO 1458a_100000211969_100000211926 [0,1,0,0,0,0|0,0,3]=4 390 B11R0.4 CCCCCCCC(=O)CCO 1458a_100011216618_100000210614 [0,1,0,0,0,0|0,0,3]=4 391 B11R0.4 CCCCCCNC(=O)CCO 240690a_100000210581_100011216618 [0,1,0,0,0,0|1,0,2]=4 392 B11R0.4 CCCCCNCC(=O)NCO 2230a_100000209983_100000185155 [0,1,0,0,0,0|2,0,1]=4 393 B11R0.4 CCCCCNNC(=O)CCO 22a_100000694160_100011216618 [0,1,0,0,0,0|2,0,1]=4 394 B11R0.4 CCCCCOCC(=O)NCO 34a_100000210253_100000185155 [0,1,0,0,0,0|2,0,1]=4 395 B11R0.4 CCCCCOCC(=O)NCO 7a_100000210253_100000185155 [0,1,0,0,0,0|2,0,1]=4 396 B11R0.4 CCCCCSCC(=O)NCO 62a_100000185155_100000210326 [0,1,0,0,0,0|2,0,1]=4 397 B11R0.4 CCCCCSCC(=O)NCO 62a_100000210326_100000185155 [0,1,0,0,0,0|2,0,1]=4 398 B11R0.4 CCCOC/C=C/C(=O)OCC 34a_100000210258_100016267167 [0,1,0,0,0,0|3,0,0]=4 399 B11R0.4 CCCSC/C=C/C(=O)OCC 62a_100000210303_100016267167 [0,1,0,0,0,0|3,0,0]=4 400 B11R0.4 CCCSC/C=C/C(=O)OCC 62a_100016267167_100000210303 [0,1,0,0,0,0|3,0,0]=4 401 B11R0.40 CC/C=C\CNCCC(C)CC 2230a_100020591266_100103147603 [0,1,0,0,0,0|2,0,1]=4 402 B11R0.40 CC/C=C\COCCC(C)CC 7a_100011215188_100103147603 [0,1,0,0,0,0|2,0,1]=4 403 B11R0.40 CCC=CC=NNCC(O)CC 4a_100015206393_100011216943 [0,1,0,0,0,0|3,0,0]=4 404 B11R0.40 CCCCC/C=C/CC(=O)CC 1458a_100020675968_100000210202 [0,1,0,0,0,0|1,0,1]=3 405 B11R0.40 CCCCC/C=C/CC(=O)CF 1458a_100020675968_100015361967 [0,1,0,0,0,0|1,0,1]=3 406 B11R0.40 CCCCC/C=C/CC(=O)NC 11a_106832991635_100020675968 [0,1,0,0,0,0|2,0,1]=4 407 B11R0.40 CCCCC/C=C/CC(=O)NC 1626a_100102657272_100020675968 [0,1,0,0,0,0|2,0,1]=4 408 B11R0.40 CCCCC/C=C/CC(=O)NC 240690a_100102657272_100020675968 [0,1,0,0,0,0|2,0,1]=4 409 B11R0.40 CCCCCC#CCC(=O)CO 1458a_100000210174_100009816472 [0,1,0,0,0,0|0,0,3]=4 410 B11R0.40 CCCCCC=NNC(=O)CC 4a_100000183195_100000737632 [0,1,0,0,0,0|3,0,0]=4 411 B11R0.40 CCCCCCC=CC(=O)CC 1458a_200015324643_100000210202 [0,1,0,0,0,0|1,0,1]=3 412 B11R0.40 CCCCCCC=CC(=O)CF 1458a_200015324643_100015361967 [0,1,0,0,0,0|1,0,1]=3 413 B11R0.40 CCCCCCC=CC(=O)NC 11a_106832991635_200015324643 [0,1,0,0,0,0|2,0,1]=4 414 B11R0.40 CCCCCCC=CC(=O)NC 1626a_100102657272_200015324643 [0,1,0,0,0,0|2,0,1]=4 415 B11R0.40 CCCCCCC=CC(=O)NC 240690a_100102657272_200015324643 [0,1,0,0,0,0|2,0,1]=4 416 B11R0.40 CCCCCCCCC(=O)CO 1458a_100000210174_100000210759 [0,1,0,0,0,0|0,0,3]=4 417 B11R0.40 CCCCCCCNC(=O)CO 240690a_100000229938_100000210174 [0,1,0,0,0,0|1,0,2]=4 418 B11R0.40 CCCCCCCNC(=O)CO 527a_100000229938_100000210174 [0,1,0,0,0,0|1,0,2]=4 419 B11R0.40 CCCCCNN=CC(O)CO 4a_100000694160_100000033539 [0,1,0,0,0,0|2,0,1]=4 420 B11R0.81 C=CC=CC(=O)CCCCCC 1458a_100016291481_100000210757 [0,1,0,0,0,0|1,0,2]=4 421 B11R0.81 C=CC=CC(=O)NCCCCC 1626a_100000209983_100016291481 [0,1,0,0,0,0|2,0,1]=4 422 B11R0.81 CC/C=C\CNC(C)CCCC 2230a_100000126638_100103147603 [0,1,0,0,0,0|2,0,1]=4 423 B11R0.81 CC/C=C\COC(C)CCCC 34a_100000687866_100103147603 [0,1,0,0,0,0|2,0,1]=4 424 B11R0.81 CC/C=C\COC(C)CCCC 34a_100016268518_200011215066 [0,1,0,0,0,0|2,0,1]=4 425 B11R0.81 CC/C=C\COC(C)CCCC 7a_100000687866_100103147603 [0,1,0,0,0,0|2,0,1]=4 426 B11R0.81 CC/C=C\CSC(C)CCCC 62a_100103147603_200011215066 [0,1,0,0,0,0|2,0,1]=4 427 B11R0.81 CC/C=C\CSC(C)CCCC 62a_200011215066_100103147603 [0,1,0,0,0,0|2,0,1]=4 428 B11R0.81 CCC=CC(=O)CCCCCC 1458a_100000212282_100000210757 [0,1,0,0,0,0|1,0,1]=3 429 B11R0.81 CCC=CC(=O)CCCCCF 1458a_100000212282_100000729378 [0,1,0,0,0,0|2,0,1]=4 430 B11R0.81 CCC=CC(=O)CCCCCO 1458a_100000212282_100000746330 [0,1,0,0,0,0|2,0,1]=4 431 B11R0.81 CCC=CC(=O)CCCCOC 1458a_100000212282_100000755781 [0,1,0,0,0,0|2,0,1]=4 432 B11R0.81 CCC=CC(=O)CCCOCC 1458a_100000212282_100012232248 [0,1,0,0,0,0|2,0,1]=4 433 B11R0.81 CCC=CC(=O)CCOCCC 1458a_100000212282_100011215938 [0,1,0,0,0,0|2,0,1]=4 434 B11R0.81 CCC=CC(=O)COCCCC 1458a_100000212282_100011995733 [0,1,0,0,0,0|2,0,1]=4 435 B11R0.81 CCC=CC(=O)NCCCCC 11a_100000209983_100000212282 [0,1,0,0,0,0|2,0,0]=3 436 B11R0.81 CCC=CC(=O)NCCCCC 1626a_100000209983_100000212282 [0,1,0,0,0,0|2,0,0]=3 437 B11R0.81 CCC=CC(=O)NCCCCC 240690a_100000209983_100000212282 [0,1,0,0,0,0|2,0,0]=3 438 B11R0.81 CCC=CC(=O)NCCCCO 240690a_100000750430_100000212282 [0,1,0,0,0,0|3,0,0]=4 439 B11R0.81 CCC=CC(=O)NCCCOC 1626a_100150723488_100000212282 [0,1,0,0,0,0|3,0,0]=4 440 B11R0.81 CCC=CC(=O)NCCCOC 240690a_100150723488_100000212282 [0,1,0,0,0,0|3,0,0]=4 441 B11R0.81 CCC=CC(=O)NCCCSC 11a_100000749238_100000212282 [0,1,0,0,0,0|3,0,0]=4 442 B11R0.81 CCC=CC(=O)NCCCSC 1626a_100000749238_100000212282 [0,1,0,0,0,0|3,0,0]=4 443 B11R0.81 CCC=CC(=O)NCCCSC 240690a_100000749238_100000212282 [0,1,0,0,0,0|3,0,0]=4 444 B11R0.81 CCC=CC(=O)NCCOCC 11a_100011200944_100000212282 [0,1,0,0,0,0|3,0,0]=4 445 B11R0.81 CCC=CC(=O)NCCOCC 1626a_102516460346_100000212282 [0,1,0,0,0,0|3,0,0]=4 446 B11R0.81 CCC=CC(=O)NCCOCC 240690a_100011200944_100000212282 [0,1,0,0,0,0|3,0,0]=4 447 B11R0.81 CCC=CC(=O)NCCSCC 11a_100000106463_100000212282 [0,1,0,0,0,0|3,0,0]=4 448 B11R0.81 CCC=CC(=O)NCCSCC 1626a_100000106463_100000212282 [0,1,0,0,0,0|3,0,0]=4 449 B11R0.81 CCC=CC(=O)NCCSCC 240690a_100000106463_100000212282 [0,1,0,0,0,0|3,0,0]=4 450 B11R0.81 CCC=CC(=O)NNCCCC 22a_100025702795_100000212282 [0,1,0,0,0,0|3,0,0]=4 451 B11R0.81 CCCCC=CC(=O)CCCO 1458a_100016266645_100011215043 [0,1,0,0,0,0|0,0,3]=4 452 B11R0.81 CCCCC=CC(=O)NCCO 240690a_100000210304_100016266645 [0,1,0,0,0,0|1,0,2]=4 453 B11R0.81 CCCCCCC(=O)C#CCO 1458a_100000049017_100000210757 [0,1,0,0,0,0|0,0,3]=4 454 B11R0.81 CCCCCCC(=O)C=COC 1458a_100016268678_100000210757 [0,1,0,0,0,0|2,0,1]=4 455 B11R0.81 CCCCCCC(=O)CCCO 1458a_100102632555_100011215043 [0,1,0,0,0,0|0,0,3]=4 456 B11R0.81 CCCCCCC(=O)NCCO 240690a_100000210304_100102632555 [0,1,0,0,0,0|1,0,2]=4 457 B11R0.81 CCCCCCC(=O)NCCO 527a_100000210304_100102632555 [0,1,0,0,0,0|1,0,2]=4 458 B11R0.81 CCCCCNC(=O)C=COC 1626a_100000209983_100016268678 [0,1,0,0,0,0|3,0,0]=4 459 B11R0.81 CCCCCNC(=O)C=COC 240690a_100000209983_100016268678 [0,1,0,0,0,0|3,0,0]=4 460 B11R0.81 CCCCCNC(=O)NCCO 2708a_100000209983_100000210304 [0,1,0,0,0,0|2,0,1]=4 461 B11R0.81 CCCCCNC(=O)NCCO 273464a_100000209983_100000210304 [0,1,0,0,0,0|2,0,1]=4 462 B11R0.81 CCCCCNC(=O)NCCO 273464a_100000210304_100000209983 [0,1,0,0,0,0|2,0,1]=4 463 B11R0.81 CCCCCNC(=O)NCCO 512a_100000209983_100000210304 [0,1,0,0,0,0|2,0,1]=4 464 B11R0.140 C/C=C/C=CC(=O)CCCCC 1458a_100000185730_100000210326 [0,1,0,0,0,0|1,0,1]=3 465 B11R0.140 C/C=C/C=CC(=O)CCCCF 1458a_100000185730_100000729493 [0,1,0,0,0,0|2,0,1]=4 466 B11R0.140 C/C=C/C=CC(=O)CCCCO 1458a_100000185730_100000210776 [0,1,0,0,0,0|2,0,1]=4 467 B11R0.140 C/C=C/C=CC(=O)CCCOC 1458a_100000185730_100000740836 [0,1,0,0,0,0|2,0,1]=4 468 B11R0.140 C/C=C/C=CC(=O)CCOCC 1458a_100000185730_100011215890 [0,1,0,0,0,0|2,0,1]=4 469 B11R0.140 C/C=C/C=CC(=O)CCSCC 1458a_100000185730_100000757381 [0,1,0,0,0,0|2,0,1]=4 470 B11R0.140 C/C=C/C=CC(=O)NCCCC 11a_100000102301_100000185730 [0,1,0,0,0,0|2,0,1]=4 471 B11R0.140 C/C=C/C=CC(=O)NCCCC 1626a_100000102301_100000185730 [0,1,0,0,0,0|2,0,1]=4 472 B11R0.140 C/C=C/C=CC(=O)NCCCC 240690a_100000102301_100000185730 [0,1,0,0,0,0|2,0,1]=4 473 B11R0.140 CC/C=C/CC(=O)CCCCC 1458a_100016274230_100000210326 [0,1,0,0,0,0|1,0,1]=3 474 B11R0.140 CC/C=C/CC(=O)CCCCF 1458a_100016274230_100000729493 [0,1,0,0,0,0|2,0,1]=4 475 B11R0.140 CC/C=C/CC(=O)CCCCO 1458a_100016274230_100000210776 [0,1,0,0,0,0|2,0,1]=4 476 B11R0.140 CC/C=C/CC(=O)CCCOC 1458a_100016274230_100000740836 [0,1,0,0,0,0|2,0,1]=4 477 B11R0.140 CC/C=C/CC(=O)CCOCC 1458a_100016274230_100011215890 [0,1,0,0,0,0|2,0,1]=4 478 B11R0.140 CC/C=C/CC(=O)CCSCC 1458a_100016274230_100000757381 [0,1,0,0,0,0|2,0,1]=4 479 B11R0.140 CC/C=C/CC(=O)NCCCC 11a_100000102301_100016274230 [0,1,0,0,0,0|2,0,1]=4 480 B11R0.140 CC/C=C/CC(=O)NCCCC 1626a_100000102301_100016274230 [0,1,0,0,0,0|2,0,1]=4 481 B11R0.140 CC/C=C/CC(=O)NCCCC 240690a_100000102301_100016274230 [0,1,0,0,0,0|2,0,1]=4 482 B11R0.140 CC/C=C/CC(=O)NCCCC 527a_100000102301_100016274230 [0,1,0,0,0,0|2,0,1]=4 483 B11R0.140 CC/C=C\CC(=O)CCCCC 1458a_100000212188_100103147603 [0,1,0,0,0,0|1,0,1]=3 484 B11R0.140 CC/C=C\CC(=O)CCCCO 1458a_100000695505_100103147603 [0,1,0,0,0,0|2,0,1]=4 485 B11R0.140 CC/C=C\CC(=O)CCCOC 1458a_100000741012_100103147603 [0,1,0,0,0,0|2,0,1]=4 486 B11R0.140 CC/C=C\CC(=O)CCCSC 1458a_100000173376_100103147603 [0,1,0,0,0,0|2,0,1]=4 487 B11R0.140 CC/C=C\CC(=O)CCOCC 1458a_100000749530_100103147603 [0,1,0,0,0,0|2,0,1]=4 488 B11R0.140 CC/C=C\CC(=O)CCSCC 1458a_100000230768_100103147603 [0,1,0,0,0,0|2,0,1]=4 489 B11R0.140 CC/C=C\CC(=O)COCCC 1458a_100000745993_100103147603 [0,1,0,0,0,0|2,0,1]=4 490 B11R0.140 CC/C=C\CC(=O)CSCCC 1458a_100000217233_100103147603 [0,1,0,0,0,0|2,0,1]=4 491 B11R0.140 CC/C=C\CN(C)CCCCC 2230a_100000223495_100103147603 [0,1,0,0,0,0|2,0,1]=4 492 B11R0.140 CC/C=C\CN(C)CCCCC 269982a_100000223495_100103147603 [0,1,0,0,0,0|2,0,1]=4 493 B11R0.140 CCC=NNC(=O)CCCCC 4a_100000189784_100000210100 [0,1,0,0,0,0|3,0,0]=4 494 B11R0.140 CCCC=CC(=O)CCCCC 1458a_100000212230_100000210326 [0,1,0,0,0,0|1,0,1]=3 495 B11R0.140 CCCC=CC(=O)CCCCF 1458a_100000212230_100000729493 [0,1,0,0,0,0|2,0,1]=4 496 B11R0.140 CCCC=CC(=O)CCCCO 1458a_100000212230_100000210776 [0,1,0,0,0,0|2,0,1]=4 497 B11R0.140 CCCC=CC(=O)CCCOC 1458a_100000212230_100000740836 [0,1,0,0,0,0|2,0,1]=4 498 B11R0.140 CCCC=CC(=O)CCOCC 1458a_100000212230_100011215890 [0,1,0,0,0,0|2,0,1]=4 499 B11R0.140 CCCC=CC(=O)CCSCC 1458a_100000212230_100000757381 [0,1,0,0,0,0|2,0,1]=4 500 B11R0.140 CCCC=CC(=O)NCCCC 11a_100000102301_100000212230 [0,1,0,0,0,0|2,0,1]=4 501 B11R0.140 CCCC=CC(=O)NCCCC 1626a_100000102301_100000212230 [0,1,0,0,0,0|2,0,1]=4 502 B11R0.140 CCCC=CC(=O)NCCCC 240690a_100000102301_100000212230 [0,1,0,0,0,0|2,0,1]=4 503 B11R0.140 CCCCCC(=NNCCO)C 4a_100000210001_100000211708 [0,1,0,0,0,0|2,0,1]=4 504 B11R0.140 CCCCCC(=O)C=CCOC 1458a_100016285016_100000210326 [0,1,0,0,0,0|2,0,1]=4 505 B11R0.140 CCCCCC(=O)C=COCC 1458a_100016266692_100000210326 [0,1,0,0,0,0|2,0,0]=3 506 B11R0.140 CCCCCC(=O)CC#CCO 1458a_100000212188_200000047223 [0,1,0,0,0,0|0,0,3]=4 507 B11R0.140 CCCCCC(=O)CCCCO 1458a_100000212188_100000210776 [0,1,0,0,0,0|0,0,3]=4 508 B11R0.140 CCCCCC(=O)CCCCO 1458a_100000695505_100000210326 [0,1,0,0,0,0|0,0,3]=4 509 B11R0.140 CCCCCC(=O)CNCCO 2230a_100016997473_200012276598 [0,1,0,0,0,0|1,0,2]=4 510 B11R0.140 CCCCCC(=O)CNCCO 34a_100016990907_200012276598 [0,1,0,0,0,0|1,0,2]=4 511 B11R0.140 CCCCCC(=O)COCCO 1458a_100000708028_100000210326 [0,1,0,0,0,0|1,0,2]=4 512 B11R0.140 CCCCCC(=O)CSCCO 62a_100000211926_200012276598 [0,1,0,0,0,0|1,0,2]=4 513 B11R0.140 CCCCCC(=O)CSCCO 62a_200012276598_100000211926 [0,1,0,0,0,0|1,0,2]=4 514 B11R0.140 CCCCCC(=O)NCCCO 240690a_100000182051_100000212188 [0,1,0,0,0,0|1,0,2]=4 515 B11R0.140 CCCCCC(=O)NCCCO 527a_100000182051_100000212188 [0,1,0,0,0,0|1,0,2]=4 516 B11R0.140 CCCCCC(=O)NNCCO 22a_100000210001_100000212188 [0,1,0,0,0,0|2,0,1]=4 517 B11R0.140 CCCCNC(=O)C=COCC 11a_100000102301_100016266692 [0,1,0,0,0,0|3,0,0]=4 518 B11R0.140 CCCCNC(=O)C=COCC 1626a_100000102301_100016266692 [0,1,0,0,0,0|3,0,0]=4 519 B11R0.140 CCCCNC(=O)C=COCC 240690a_100000102301_100016266692 [0,1,0,0,0,0|3,0,0]=4 520 B11R0.140 CCOC=CC(=O)CCCCF 1458a_100016266692_100000729493 [0,1,0,0,0,0|3,0,0]=4 521 B11R0.140 CCOC=CC(=O)CCCCO 1458a_100016266692_100000210776 [0,1,0,0,0,0|3,0,0]=4 522 B11R0.140 CCOC=CC(=O)CCCOC 1458a_100016266692_100000740836 [0,1,0,0,0,0|3,0,0]=4 523 B11R0.140 CCOC=CC(=O)CCOCC 1458a_100016266692_100011215890 [0,1,0,0,0,0|3,0,0]=4 524 B11R0.140 CCOC=CC(=O)CCSCC 1458a_100016266692_100000757381 [0,1,0,0,0,0|3,0,0]=4 525 B11R0.148 CC/C=C\CNCCCC(C)C 2230a_200000737386_100103147603 [0,1,0,0,0,0|2,0,1]=4 526 B11R0.148 CC/C=C\CNCCCC(C)C 34a_200000737386_100103147603 [0,1,0,0,0,0|2,0,1]=4 527 B11R0.148 CC/C=C\COCCCC(C)C 34a_100000210774_100103147603 [0,1,0,0,0,0|2,0,1]=4 528 B11R0.148 CC/C=C\COCCCC(C)C 34a_100016268518_100011214892 [0,1,0,0,0,0|2,0,1]=4 529 B11R0.148 CC/C=C\COCCCC(C)C 7a_100000210774_100103147603 [0,1,0,0,0,0|2,0,1]=4 530 B11R0.148 CC/C=C\COCCCC(C)O 34a_100016268518_200000718107 [0,1,0,0,0,0|2,0,1]=4 531 B11R0.148 CC/C=C\CSCCCC(C)C 62a_100011214892_100103147603 [0,1,0,0,0,0|2,0,1]=4 532 B11R0.148 CC/C=C\CSCCCC(C)C 62a_100103147603_100011214892 [0,1,0,0,0,0|2,0,1]=4 533 B11R0.148 CC/C=C\CSCCCC(C)O 62a_100103147603_200000718107 [0,1,0,0,0,0|2,0,1]=4 534 B11R0.148 CC/C=C\CSCCCC(C)O 62a_200000718107_100103147603 [0,1,0,0,0,0|2,0,1]=4 535 B11R0.148 CCCCC/C=C/COC(C)C 34a_100016258190_100000210206 [0,1,0,0,0,0|2,0,1]=4 536 B11R0.148 CCCCC/C=C/COC(C)C 7a_100016258190_100000210206 [0,1,0,0,0,0|2,0,1]=4 537 B11R0.148 CCCCCC=NNCC(C)O 4a_200000730056_100000737632 [0,1,0,0,0,0|2,0,1]=4 538 B11R0.148 CCCCCNC/C=C/B(O)O 2230a_100000209983_100016262062 [0,1,0,0,0,0|2,0,1]=4 539 B11R0.148 CCCCCOC/C=C/B(O)O 34a_100000210253_100016262062 [0,1,0,0,0,0|2,0,1]=4 540 B11R0.148 CCCCCOC/C=C/B(O)O 7a_100000210253_100016262062 [0,1,0,0,0,0|2,0,1]=4 541 B11R0.148 CCCCCSC/C=C/B(O)O 62a_100000210326_100016262062 [0,1,0,0,0,0|2,0,1]=4 542 B11R0.148 CCCCCSC/C=C/B(O)O 62a_100016262062_100000210326 [0,1,0,0,0,0|2,0,1]=4 543 B11R1.4 CC/C=C\CNC1CCCC1 2230a_100000211070_100103147603 [0,0,0,1,0,0|2,0,1]=4 544 B11R1.4 CC/C=C\CNC1CCCC1 34a_100000211070_100103147603 [0,0,0,1,0,0|2,0,1]=4 545 B11R1.4 CC/C=C\COC1CCCC1 34a_100000210269_100103147603 [0,0,0,1,0,0|2,0,1]=4 546 B11R1.4 CC/C=C\COC1CCCC1 34a_100016268518_100000179811 [0,0,0,1,0,0|2,0,1]=4 547 B11R1.4 CC/C=C\COC1CCCC1 7a_100000210269_100103147603 [0,0,0,1,0,0|2,0,1]=4 548 B11R1.4 CC/C=C\CSC1CCCC1 62a_100011217020_100103147603 [0,0,0,1,0,0|2,0,1]=4 549 B11R1.4 CC/C=C\CSC1CCCC1 62a_100103147603_100000179811 [0,0,0,1,0,0|2,0,1]=4 550 B11R1.4 CCCCC=Cc1cc[nH]n1 271570a_100016275911_100000062575 [0,0,0,1,0,0|2,0,1]=4 551 B11R1.4 CCCCC=Cc1ccco1 271570a_100016275911_100009814098 [0,0,0,1,0,0|0,0,2]=3 552 B11R1.4 CCCCC=Cc1cccs1 271570a_100016275911_100011215356 [0,0,0,1,0,0|0,1,2]=4 553 B11R1.4 CCCCC=Cc1ccoc1 271570a_100016275911_100011215275 [0,0,0,1,0,0|2,0,1]=4 554 B11R1.4 CCCCC=Cc1ccsc1 271570a_100016275911_100000738268 [0,0,0,1,0,0|2,0,1]=4 555 B11R1.4 CCCCC=Cc1ccsn1 271570a_100016275911_100009818082 [0,0,0,1,0,0|2,0,1]=4 556 B11R1.4 CCCCC=Cc1cnco1 271570a_100016275911_100020591547 [0,0,0,1,0,0|1,0,2]=4 557 B11R1.4 CCCCC=Cc1ncco1 271570a_100016275911_100011787736 [0,0,0,1,0,0|1,0,2]=4 558 B11R1.4 CCCCCOc1ccsc1 34a_100000106738_100000718602 [0,0,0,1,0,0|3,0,0]=4 559 B11R1.4 CCCCCOc1ccsc1 7a_100000106738_100000210326 [0,0,0,1,0,0|3,0,0]=4 560 B11R1.4 CCCCCSc1cc[nH]n1 62a_100000062575_100000210326 [0,0,0,1,0,0|3,0,0]=4 561 B11R1.4 CCCCCSc1cc[nH]n1 62a_100000210326_100000062575 [0,0,0,1,0,0|3,0,0]=4 562 B11R1.4 CCCCCSc1ccco1 62a_100000210326_100009814098 [0,0,0,1,0,0|1,0,1]=3 563 B11R1.4 CCCCCSc1ccco1 62a_100009814098_100000210326 [0,0,0,1,0,0|1,0,1]=3 564 B11R1.4 CCCCCSc1cccs1 62a_100000210326_100011215356 [0,0,0,1,0,0|1,1,1]=4 565 B11R1.4 CCCCCSc1cccs1 62a_100011215356_100000210326 [0,0,0,1,0,0|1,1,1]=4 566 B11R1.4 CCCCCSc1ccoc1 62a_100000210326_100011215275 [0,0,0,1,0,0|3,0,0]=4 567 B11R1.4 CCCCCSc1ccoc1 62a_100011215275_100000210326 [0,0,0,1,0,0|3,0,0]=4 568 B11R1.4 CCCCCSc1ccon1 62a_100000210326_100009818083 [0,0,0,1,0,0|3,0,0]=4 569 B11R1.4 CCCCCSc1ccon1 62a_100009818083_100000210326 [0,0,0,1,0,0|3,0,0]=4 570 B11R1.4 CCCCCSc1ccsc1 62a_100000210326_100000738268 [0,0,0,1,0,0|3,0,0]=4 571 B11R1.4 CCCCCSc1ccsc1 62a_100000738268_100000210326 [0,0,0,1,0,0|3,0,0]=4 572 B11R1.4 CCCCCSc1ccsn1 62a_100000210326_100009818082 [0,0,0,1,0,0|3,0,0]=4 573 B11R1.4 CCCCCSc1ccsn1 62a_100009818082_100000210326 [0,0,0,1,0,0|3,0,0]=4 574 B11R1.4 CCCCCSc1cnco1 62a_100000210326_100020591547 [0,0,0,1,0,0|2,0,1]=4 575 B11R1.4 CCCCCSc1cnco1 62a_100020591547_100000210326 [0,0,0,1,0,0|2,0,1]=4 576 B11R1.4 CCCCCSc1ncco1 62a_100000210326_100011787736 [0,0,0,1,0,0|2,0,1]=4 577 B11R1.4 CCCCCSc1ncco1 62a_100011787736_100000210326 [0,0,0,1,0,0|2,0,1]=4 578 B11R1.4 CCCCNCc1ccco1 207a_100000102301_100000186105 [0,0,0,1,0,0|1,0,2]=4 579 B11R1.4 CCCCNCc1ccco1 2230a_100000185738_100000210211 [0,0,0,1,0,0|1,0,2]=4 580 B11R1.4 CCCCNCc1ccco1 270004a_100000102301_100000186105 [0,0,0,1,0,0|1,0,2]=4 581 B11R1.4 CCCCNCc1ccco1 34a_100000185738_100000210210 [0,0,0,1,0,0|1,0,2]=4 582 B11R1.4 CCCCNN=C1C=CCC1 4a_100025702795_100000239507 [0,0,0,1,0,0|3,0,0]=4 583 B11R1.4 CCCCOCc1ccco1 34a_100000210059_100000210210 [0,0,0,1,0,0|1,0,2]=4 584 B11R1.4 CCCCOCc1ccno1 34a_100000740478_100000210210 [0,0,0,1,0,0|2,0,1]=4 585 B11R1.4 CCCNCCc1ccco1 2230a_100000694680_100000210303 [0,0,0,1,0,0|1,0,2]=4 586 B11R1.4 CCCNCCc1ccco1 34a_100000694680_100000210303 [0,0,0,1,0,0|1,0,2]=4 587 B11R1.4 CCCNN=Cc1ccco1 4a_100000740057_100000186105 [0,0,0,1,0,0|2,0,1]=4 588 B11R1.4 CCNCC=Cc1ccco1 270004a_100015525214_100000185671 [0,0,0,1,0,0|1,0,2]=4 589 B11R1.4 CCOCCSc1ccco1 62a_100000210147_100009814098 [0,0,0,1,0,0|2,0,1]=4 590 B11R1.4 CCOCCSc1ccco1 62a_100009814098_100011215890 [0,0,0,1,0,0|2,0,1]=4 591 B11R1.4 CCSCCSc1ccco1 62a_100000757381_100009814098 [0,0,0,1,0,0|2,0,1]=4 592 B11R1.4 CCSCCSc1ccco1 62a_100009814098_100000757381 [0,0,0,1,0,0|2,0,1]=4 593 B11R1.4 COCCCSc1ccco1 62a_100000709357_100009814098 [0,0,0,1,0,0|2,0,1]=4 594 B11R1.4 COCCCSc1ccco1 62a_100009814098_100000709357 [0,0,0,1,0,0|2,0,1]=4 595 B11R1.4 FCCCCSc1ccco1 62a_100000729493_100009814098 [0,0,0,1,0,0|2,0,1]=4 596 B11R1.4 FCCCCSc1ccco1 62a_100009814098_100000729493 [0,0,0,1,0,0|2,0,1]=4 597 B11R1.4 OCCCCSc1ccco1 62a_100000210776_100009814098 [0,0,0,1,0,0|2,0,1]=4 598 B11R1.4 OCCCCSc1ccco1 62a_100009814098_100000210776 [0,0,0,1,0,0|2,0,1]=4 599 B11R1.4 OCCNN=CC1CCCC1 4a_100000210001_100000746403 [0,0,0,1,0,0|2,0,1]=4 600 B11R1.17 CCCCc1cccc[n+]1C 271570a_100020621405_100000212160 [0,0,0,1,0,0|2,0,1]=4 601 B11R1.17 CCCCc1cccc[n+]1[O-] 271570a_100020621405_200000042595 [0,0,0,1,0,0|1,0,2]=4 602 B11R1.17 CCCCc1ccccc1Br 271570a_100020621405_100000695589 [0,0,0,1,0,0|1,0,2]=4 603 B11R1.17 CCCCc1ccccc1C 271570a_100020621405_100000210755 [0,0,0,1,0,0|1,0,2]=4 604 B11R1.17 CCCCc1ccccc1Cl 271570a_100020621405_100000764095 [0,0,0,1,0,0|1,0,2]=4 605 B11R1.17 CCCCc1ccccc1F 271570a_100020621405_100011215700 [0,0,0,1,0,0|1,0,2]=4 606 B11R1.17 CCCCc1ccccc1N 271570a_100020621405_100000210017 [0,0,0,1,0,0|1,0,2]=4 607 B11R1.17 CCCCc1ccccc1O 271570a_100020621405_100000739446 [0,0,0,1,0,0|0,0,2]=3 608 B11R1.17 CCCCc1ccncc1O 271570a_100020621405_100009817591 [0,0,0,1,0,0|1,0,2]=4 609 B11R1.17 CCCCc1ncccc1O 271570a_100020621405_100000034122 [0,0,0,1,0,0|1,0,2]=4 610 B11R1.17 CCCNc1ccccc1O 34a_100000185747_100000210303 [0,0,0,1,0,0|1,0,2]=4 611 B11R1.17 CCCOc1ccccc1O 271570a_203496583355_100000174042 [0,0,0,1,0,0|1,0,2]=4 612 B11R1.17 CCCSc1ccccc1O 62a_100000210303_100000739446 [0,0,0,1,0,0|1,0,2]=4 613 B11R1.17 CCCSc1ccccc1O 62a_100000739446_100000210303 [0,0,0,1,0,0|1,0,2]=4 614 B11R1.17 CCNCc1ccccc1O 34a_100000185550_100000210202 [0,0,0,1,0,0|1,0,2]=4 615 B11R1.17 CCOCc1ccccc1O 271570a_203496583355_200011493690 [0,0,0,1,0,0|1,0,2]=4 616 B11R1.17 CCSCc1ccccc1O 271570a_203496583355_200000173030 [0,0,0,1,0,0|1,0,2]=4 617 B11R1.17 CNCCc1ccccc1O 34a_100011207237_200000210301 [0,0,0,1,0,0|1,0,2]=4 618 B11R1.17 CNCCc1ccccc1O 34a_100102657272_100000722297 [0,0,0,1,0,0|1,0,2]=4 619 B11R1.17 CNCCc1ccccc1O 7a_106832991635_100000722297 [0,0,0,1,0,0|1,0,2]=4 620 B11R1.17 COCCc1ccccc1O 34a_100138415774_100000722297 [0,0,0,1,0,0|1,0,2]=4 621 B11R1.17 CSCCc1ccccc1O 62a_100000722297_200000210301 [0,0,0,1,0,0|1,0,2]=4 622 B11R1.17 CSCCc1ccccc1O 62a_200000210301_100000722297 [0,0,0,1,0,0|1,0,2]=4 623 B11R1.17 OCCCc1ccccc1O 271570a_203496583355_100000699526 [0,0,0,1,0,0|1,0,2]=4 624 B11R1.17 [13CH3]NCCc1ccccc1O 34a_100011207237_200025704644 [0,0,0,1,0,0|1,0,2]=4 625 B11R1.17 [13CH3]SCCc1ccccc1O 62a_100000722297_200025704644 [0,0,0,1,0,0|1,0,2]=4 626 B11R1.17 [13CH3]SCCc1ccccc1O 62a_200025704644_100000722297 [0,0,0,1,0,0|1,0,2]=4 627 B11R1.18 CCCCC1C=CCN1CC 2230a_100015184376_100000210202 [0,0,0,1,0,0|2,0,1]=4 628 B11R1.18 CCCCC1C=CCN1CC 269982a_100015184376_100000204670 [0,0,0,1,0,0|2,0,1]=4 629 B11R1.18 CCCCC1C=CCN1CC 34a_100015184376_100000210202 [0,0,0,1,0,0|2,0,1]=4 630 B11R1.18 CCCCC1C=CCN1CF 269982a_100015184376_100015361967 [0,0,0,1,0,0|2,0,1]=4 631 B11R1.18 CCCCC1C=CCN1CF 34a_100015184376_100015361967 [0,0,0,1,0,0|2,0,1]=4 632 B11R1.18 CCCCc1ccsc1CO 271570a_100020621405_100000702026 [0,0,0,1,0,0|1,0,1]=3 633 B11R1.18 CCCCc1cscc1CC 271570a_100020621405_100011068457 [0,0,0,1,0,0|2,0,1]=4 634 B11R1.18 CCCCc1cscc1CO 271570a_100020621405_100000724555 [0,0,0,1,0,0|1,0,1]=3 635 B11R1.18 CCCCc1ncsc1CO 271570a_100020621405_100012000948 [0,0,0,1,0,0|2,0,1]=4 636 B11R1.18 CCCCc1sccc1CC 271570a_100020621405_200009875468 [0,0,0,1,0,0|2,0,1]=4 637 B11R1.18 CCCCc1sccc1CN 271570a_100020621405_100000727803 [0,0,0,1,0,0|2,0,1]=4 638 B11R1.18 CCCCc1sccc1CO 271570a_100020621405_100009816922 [0,0,0,1,0,0|1,0,1]=3 639 B11R1.18 CCCSc1ccsc1CO 62a_100000210303_100000702026 [0,0,0,1,0,0|2,0,1]=4 640 B11R1.18 CCCSc1ccsc1CO 62a_100000702026_100000210303 [0,0,0,1,0,0|2,0,1]=4 641 B11R1.18 CCCSc1cscc1CO 62a_100000210303_100000724555 [0,0,0,1,0,0|2,0,1]=4 642 B11R1.18 CCCSc1cscc1CO 62a_100000724555_100000210303 [0,0,0,1,0,0|2,0,1]=4 643 B11R1.18 CCCSc1sccc1CO 62a_100000210303_100009816922 [0,0,0,1,0,0|2,0,1]=4 644 B11R1.18 CCCSc1sccc1CO 62a_100009816922_100000210303 [0,0,0,1,0,0|2,0,1]=4 645 B11R1.28 CCCCCN1CC=CCC1 2230a_100000698166_100000210326 [0,0,0,1,0,0|2,0,1]=4 646 B11R1.28 CCCCCN1CC=CCC1 269982a_100000698166_100000210215 [0,0,0,1,0,0|2,0,1]=4 647 B11R1.28 CCCCCN1CC=CCC1 34a_100000698166_100000718602 [0,0,0,1,0,0|2,0,1]=4 648 B11R1.28 CCCCNc1ccccc1 34a_100000106764_100000210210 [0,0,0,1,0,0|2,0,1]=4 649 B11R1.28 CCCCNc1cccnn1 27a_100000102301_100016991348 [0,0,0,1,0,0|3,0,0]=4 650 B11R1.28 CCCCOc1ccccc1 34a_100000210340_100000210210 [0,0,0,1,0,0|2,0,1]=4 651 B11R1.28 CCCCOc1ccccc1 7a_100000210340_100000210211 [0,0,0,1,0,0|2,0,1]=4 652 B11R1.28 CCCCOc1cccnc1 34a_100000210849_100000210210 [0,0,0,1,0,0|3,0,0]=4 653 B11R1.28 CCCCOc1cccnc1 7a_100000210849_100000210211 [0,0,0,1,0,0|3,0,0]=4 654 B11R1.28 CCCCSc1ccccc1 62a_100000210211_100000041952 [0,0,0,1,0,0|2,0,1]=4 655 B11R1.28 CCCCSc1ccccc1 62a_100000719477_100000210210 [0,0,0,1,0,0|2,0,1]=4 656 B11R1.28 CCCCSc1ccccn1 62a_100000210211_100011216584 [0,0,0,1,0,0|2,0,1]=4 657 B11R1.28 CCCCSc1ccccn1 62a_100011216584_100000210210 [0,0,0,1,0,0|2,0,1]=4 658 B11R1.28 CCCCSc1cccnc1 62a_100000210063_100000210210 [0,0,0,1,0,0|3,0,0]=4 659 B11R1.28 CCCCSc1cccnc1 62a_100000210211_100000210063 [0,0,0,1,0,0|3,0,0]=4 660 B11R1.28 CCCCSc1cccnn1 62a_100000210211_100016991348 [0,0,0,1,0,0|3,0,0]=4 661 B11R1.28 CCCCSc1cccnn1 62a_100016991348_100000210210 [0,0,0,1,0,0|3,0,0]=4 662 B11R1.28 CCCNCc1ccccc1 207a_100020643023_100015611070 [0,0,0,1,0,0|2,0,1]=4 663 B11R1.28 CCCNCc1ccccc1 2230a_100015324214_100000210303 [0,0,0,1,0,0|2,0,1]=4 664 B11R1.28 CCCNCc1ccccc1 270004a_100020643023_100015611070 [0,0,0,1,0,0|2,0,1]=4 665 B11R1.28 CCCNCc1ccccc1 34a_100015324214_100000210303 [0,0,0,1,0,0|2,0,1]=4 666 B11R1.28 CCCNCc1ccccn1 207a_100020643023_100000209966 [0,0,0,1,0,0|2,0,1]=4 667 B11R1.28 CCCNCc1ccccn1 270004a_100020643023_100000209966 [0,0,0,1,0,0|2,0,1]=4 668 B11R1.28 CCCNCc1cccnc1 207a_100020643023_100000209961 [0,0,0,1,0,0|3,0,0]=4 669 B11R1.28 CCCNCc1cccnc1 270004a_100020643023_100000209961 [0,0,0,1,0,0|3,0,0]=4 670 B11R1.28 CCCNCc1cccnn1 2230a_100159270163_100000210303 [0,0,0,1,0,0|3,0,0]=4 671 B11R1.28 CCCOCc1ccccc1 34a_100000210258_100015291786 [0,0,0,1,0,0|2,0,1]=4 672 B11R1.28 CCCOCc1ccccc1 34a_100000210790_100000210303 [0,0,0,1,0,0|2,0,1]=4 673 B11R1.28 CCCOCc1ccccc1 7a_100000210790_100000210303 [0,0,0,1,0,0|2,0,1]=4 674 B11R1.28 CCCOCc1ccccn1 34a_100000210258_100000721315 [0,0,0,1,0,0|2,0,1]=4 675 B11R1.28 CCCOCc1cccnc1 34a_100000210258_100000733263 [0,0,0,1,0,0|3,0,0]=4 676 B11R1.28 CCCOCc1cccnn1 34a_100000210258_100016990269 [0,0,0,1,0,0|3,0,0]=4 677 B11R1.28 CCCSCc1ccccc1 62a_100000210303_100015291786 [0,0,0,1,0,0|2,0,1]=4 678 B11R1.28 CCCSCc1ccccc1 62a_100000211182_100000210303 [0,0,0,1,0,0|2,0,1]=4 679 B11R1.28 CCCSCc1ccccn1 62a_100000210303_100000721315 [0,0,0,1,0,0|2,0,1]=4 680 B11R1.28 CCCSCc1ccccn1 62a_100000721315_100000210303 [0,0,0,1,0,0|2,0,1]=4 681 B11R1.28 CCCSCc1cccnc1 62a_100000210303_100000741622 [0,0,0,1,0,0|3,0,0]=4 682 B11R1.28 CCCSCc1cccnc1 62a_100000741622_100000210303 [0,0,0,1,0,0|3,0,0]=4 683 B11R1.28 CCCSCc1cccnn1 62a_100000210303_100016990269 [0,0,0,1,0,0|3,0,0]=4 684 B11R1.28 CCCSCc1cccnn1 62a_100016990269_100000210303 [0,0,0,1,0,0|3,0,0]=4 685 B11R1.28 CCNCCc1ccccc1 2230a_100000106460_100000210202 [0,0,0,1,0,0|2,0,1]=4 686 B11R1.28 CCNCCc1ccccc1 2230a_100015525214_100000765856 [0,0,0,1,0,0|2,0,1]=4 687 B11R1.28 CCNCCc1ccccc1 34a_100000106460_100000210202 [0,0,0,1,0,0|2,0,1]=4 688 B11R1.28 CCNCCc1ccccn1 2230a_100015525214_100015183660 [0,0,0,1,0,0|2,0,1]=4 689 B11R1.28 CCNCCc1cccnc1 2230a_100000736294_100000210202 [0,0,0,1,0,0|3,0,0]=4 690 B11R1.28 CCNCCc1cccnc1 2230a_100015525214_200011713674 [0,0,0,1,0,0|3,0,0]=4 691 B11R1.28 CCOCCc1ccccc1 34a_100000210268_100000210202 [0,0,0,1,0,0|2,0,1]=4 692 B11R1.28 CCOCCc1ccccc1 34a_100121572206_100000765856 [0,0,0,1,0,0|2,0,1]=4 693 B11R1.28 CCOCCc1ccccc1 7a_100000210268_100000210202 [0,0,0,1,0,0|2,0,1]=4 694 B11R1.28 CCOCCc1ccccn1 34a_100000210271_100000210202 [0,0,0,1,0,0|2,0,1]=4 695 B11R1.28 CCOCCc1cccnc1 34a_100011217484_100000210202 [0,0,0,1,0,0|3,0,0]=4 696 B11R1.28 CCSCCc1ccccc1 62a_100000210202_100011218657 [0,0,0,1,0,0|2,0,1]=4 697 B11R1.28 CCSCCc1ccccc1 62a_100000765856_100000210202 [0,0,0,1,0,0|2,0,1]=4 698 B11R1.28 CCSCCc1ccccn1 62a_100000210202_100015183660 [0,0,0,1,0,0|2,0,1]=4 699 B11R1.28 CCSCCc1ccccn1 62a_100015183660_100000210202 [0,0,0,1,0,0|2,0,1]=4 700 B11R1.28 CCSCCc1cccnc1 62a_100000210202_200011713674 [0,0,0,1,0,0|3,0,0]=4 701 B11R1.28 CCSCCc1cccnc1 62a_200011713674_100000210202 [0,0,0,1,0,0|3,0,0]=4 702 B11R1.28 CNCCCc1ccccc1 2230a_100000211184_200000210301 [0,0,0,1,0,0|2,0,1]=4 703 B11R1.28 CNCCCc1ccccc1 2230a_106832991635_100000211621 [0,0,0,1,0,0|2,0,1]=4 704 B11R1.28 CNCCCc1ccccc1 34a_100000211184_200000210301 [0,0,0,1,0,0|2,0,1]=4 705 B11R1.28 CNCCCc1ccccc1 34a_100102657272_100000211621 [0,0,0,1,0,0|2,0,1]=4 706 B11R1.28 CNCCCc1ccccc1 7a_106832991635_100000211621 [0,0,0,1,0,0|2,0,1]=4 707 B11R1.28 CNCCCc1cccnc1 2230a_100011532358_200000210301 [0,0,0,1,0,0|3,0,0]=4 708 B11R1.28 CNCCCc1cccnc1 34a_100011532358_200000210301 [0,0,0,1,0,0|3,0,0]=4 709 B11R1.28 COCCCC1=CCC=CC1 34a_100020667889_200000210301 [0,0,0,1,0,0|2,0,1]=4 710 B11R1.28 COCCCc1ccccc1 34a_100000210828_200000210301 [0,0,0,1,0,0|2,0,1]=4 711 B11R1.28 COCCCc1ccccc1 34a_100138415774_100000211621 [0,0,0,1,0,0|2,0,1]=4 712 B11R1.28 COCCCc1ccccc1 7a_100000210828_200000210301 [0,0,0,1,0,0|2,0,1]=4 713 B11R1.28 COCCCc1ccccn1 34a_100011215068_200000210301 [0,0,0,1,0,0|2,0,1]=4 714 B11R1.28 COCCCc1cccnc1 34a_100000211284_200000210301 [0,0,0,1,0,0|3,0,0]=4 715 B11R1.28 CSCCCc1ccccc1 62a_100000211621_200000210301 [0,0,0,1,0,0|2,0,1]=4 716 B11R1.28 CSCCCc1ccccc1 62a_200000210301_100000211621 [0,0,0,1,0,0|2,0,1]=4 717 B11R1.28 OCCNN=C1CCCCC1 4a_100000210001_100000210434 [0,0,0,1,0,0|2,0,1]=4 718 B11R1.28 [13CH3]NCCCc1ccccc1 2230a_100000211184_200025704644 [0,0,0,1,0,0|2,0,1]=4 719 B11R1.28 [13CH3]NCCCc1ccccc1 34a_100000211184_200025704644 [0,0,0,1,0,0|2,0,1]=4 720 B11R1.28 [13CH3]NCCCc1cccnc1 2230a_100011532358_200025704644 [0,0,0,1,0,0|3,0,0]=4 721 B11R1.28 [13CH3]NCCCc1cccnc1 34a_100011532358_200025704644 [0,0,0,1,0,0|3,0,0]=4 722 B11R1.28 [13CH3]OCCCC1=CCC=CC1 34a_100020667889_200025704644 [0,0,0,1,0,0|2,0,1]=4 723 B11R1.28 [13CH3]OCCCc1ccccc1 34a_100000210828_200025704644 [0,0,0,1,0,0|2,0,1]=4 724 B11R1.28 [13CH3]OCCCc1ccccc1 7a_100000210828_200025704644 [0,0,0,1,0,0|2,0,1]=4 725 B11R1.28 [13CH3]OCCCc1ccccn1 34a_100011215068_200025704644 [0,0,0,1,0,0|2,0,1]=4 726 B11R1.28 [13CH3]OCCCc1cccnc1 34a_100000211284_200025704644 [0,0,0,1,0,0|3,0,0]=4 727 B11R1.28 [13CH3]SCCCc1ccccc1 62a_100000211621_200025704644 [0,0,0,1,0,0|2,0,1]=4 728 B11R1.28 [13CH3]SCCCc1ccccc1 62a_200025704644_100000211621 [0,0,0,1,0,0|2,0,1]=4 729 B11R1.41 CCNc1ccccc1CO 34a_100000212039_100000210202 [0,0,0,1,0,0|1,0,2]=4 730 B11R1.41 CCOc1ccccc1CO 34a_100011216872_100000210202 [0,0,0,1,0,0|1,0,2]=4 731 B11R1.41 CCSc1ccccc1CO 62a_100000187465_100000210202 [0,0,0,1,0,0|1,0,2]=4 732 B11R1.41 CCSc1ccccc1CO 62a_100000210202_100000187465 [0,0,0,1,0,0|1,0,2]=4 733 B11R1.41 CCSc1ncccc1CO 62a_100000210202_100000748726 [0,0,0,1,0,0|2,0,1]=4 734 B11R1.41 CCSc1ncccc1CO 62a_100000748726_100000210202 [0,0,0,1,0,0|2,0,1]=4 735 B11R1.41 CNCc1ccccc1CO 2230a_106832991635_100009816955 [0,0,0,1,0,0|1,0,2]=4 736 B11R1.41 CNCc1ccccc1CO 34a_100102657272_100009816955 [0,0,0,1,0,0|1,0,2]=4 737 B11R1.41 CNCc1ccccc1CO 7a_106832991635_100009816955 [0,0,0,1,0,0|1,0,2]=4 738 B11R1.41 COCc1ccccc1CO 34a_100138415774_100009816955 [0,0,0,1,0,0|1,0,2]=4 739 B11R1.41 CSCc1ccccc1CO 62a_100009816955_200000210301 [0,0,0,1,0,0|1,0,2]=4 740 B11R1.41 CSCc1ccccc1CO 62a_200000210301_100009816955 [0,0,0,1,0,0|1,0,2]=4 741 B11R1.41 [13CH3]SCc1ccccc1CO 62a_100009816955_200025704644 [0,0,0,1,0,0|1,0,2]=4 742 B11R1.41 [13CH3]SCc1ccccc1CO 62a_200025704644_100009816955 [0,0,0,1,0,0|1,0,2]=4 743 B11R1.46 CC/C=C\COCC1CC1C 34a_100000744939_100103147603 [0,0,0,1,0,0|2,0,1]=4 744 B11R1.46 CC/C=C\COCC1CC1C 7a_100000744939_100103147603 [0,0,0,1,0,0|2,0,1]=4 745 B11R1.47 CC/C=C\CNCC1CCC1 2230a_100000738700_100103147603 [0,0,0,1,0,0|2,0,1]=4 746 B11R1.47 CC/C=C\CNCC1CCC1 34a_100000738700_100103147603 [0,0,0,1,0,0|2,0,1]=4 747 B11R1.47 CC/C=C\COCC1CCC1 34a_100000760304_100103147603 [0,0,0,1,0,0|2,0,1]=4 748 B11R1.47 CC/C=C\COCC1CCC1 34a_100016268518_100000763275 [0,0,0,1,0,0|2,0,1]=4 749 B11R1.47 CC/C=C\CSCC1CCC1 62a_100000763275_100103147603 [0,0,0,1,0,0|2,0,1]=4 750 B11R1.47 CC/C=C\CSCC1CCC1 62a_100103147603_100000763275 [0,0,0,1,0,0|2,0,1]=4 751 B11R1.47 CCC=CC=NNC1CCC1 4a_100000736358_100011216943 [0,0,0,1,0,0|3,0,0]=4 752 B11R1.99 CC/C=C\CNCCC1CC1 34a_100000764129_100103147603 [0,0,0,1,0,0|2,0,1]=4 753 B11R1.99 CC/C=C\COCCC1CC1 34a_100000754188_100103147603 [0,0,0,1,0,0|2,0,1]=4 754 B11R1.99 CC/C=C\COCCC1CC1 34a_100016268518_100000694398 [0,0,0,1,0,0|2,0,1]=4 755 B11R1.99 CC/C=C\COCCC1CC1 7a_100000754188_100103147603 [0,0,0,1,0,0|2,0,1]=4 756 B11R1.99 CC/C=C\CSCCC1CC1 62a_100000764125_100103147603 [0,0,0,1,0,0|2,0,1]=4 757 B11R1.99 CC/C=C\CSCCC1CC1 62a_100103147603_100000764125 [0,0,0,1,0,0|2,0,1]=4 758 B11R1.99 CCC=CC=NNCC1CC1 4a_100000736359_100011216943 [0,0,0,1,0,0|3,0,0]=4 759 B11R1.117 CCOC1C=CCCCCC1 34a_100000688657_100000210202 [0,0,0,1,0,0|2,0,1]=4 760 B11R1.117 FCOC1C=CCCCCC1 34a_100000688657_100015361967 [0,0,0,1,0,0|2,0,1]=4 761 B11R1.180 CC/C=C\CN1CCC[C@@H]1C 2230a_100020605311_100103147603 [0,0,0,1,0,0|2,0,1]=4 762 B11R1.180 CC/C=C\CN1CCC[C@@H]1C 269982a_100020605311_100103147603 [0,0,0,1,0,0|2,0,1]=4 763 B11R1.180 CC/C=C\CN1CCC[C@H]1C 2230a_100015189458_100103147603 [0,0,0,1,0,0|2,0,1]=4 764 B11R1.180 CC/C=C\CN1CCC[C@H]1C 269982a_100015189458_100103147603 [0,0,0,1,0,0|2,0,1]=4 765 B11R1.180 CC/C=C\CN1CCC[C@H]1C 34a_100015189458_100103147603 [0,0,0,1,0,0|2,0,1]=4 766 B11R1.180 CC1CCCC1=NNCCO 4a_100000210001_100000752053 [0,0,0,1,0,0|2,0,1]=4 767 B11R1.180 CCCNCc1cccn1C 270004a_100020643023_100000211633 [0,0,0,1,0,0|3,0,0]=4 768 B11R1.180 CCCNCc1cccn1C 34a_100011219357_100000210303 [0,0,0,1,0,0|3,0,0]=4 769 B11R1.180 CCNCCc1cccn1C 2230a_100011251756_100000210202 [0,0,0,1,0,0|3,0,0]=4 770 B11R1.180 CCNCCc1cccn1C 34a_100011251756_100000210202 [0,0,0,1,0,0|3,0,0]=4 771 B8R0.4 C/C=C/C=C/COCC 34a_100016283227_100000210202 [2,0,0,0,0,0|1,0,0]=3 772 B8R0.4 C/C=C/C=C/COCF 34a_100016283227_100015361967 [2,0,0,0,0,0|2,0,0]=4 773 B8R0.4 C/C=C/CCOCCC 34a_100016278192_100000210303 [2,0,0,0,0,0|1,0,1]=4 774 B8R0.4 C/C=C/CNCCCC 7a_106832991798_100102629194 [2,0,0,0,0,0|1,0,1]=4 775 B8R0.4 C/C=C/COCCCC 34a_100000210227_100102629194 [2,0,0,0,0,0|1,0,1]=4 776 B8R0.4 C/C=C/COCCCC 34a_100016270725_100000210210 [2,0,0,0,0,0|1,0,1]=4 777 B8R0.4 C/C=C/COCCCC 7a_100000210227_100102629194 [2,0,0,0,0,0|1,0,1]=4 778 B8R0.4 C/C=C/CSCCCC 62a_100000210211_100102629194 [2,0,0,0,0,0|1,0,1]=4 779 B8R0.4 C/C=C/CSCCCC 62a_100102629194_100000210210 [2,0,0,0,0,0|1,0,1]=4 780 B8R0.4 C=CCNCCCCC 2230a_100000209983_100000210623 [2,0,0,0,0,0|1,0,1]=4 781 B8R0.4 C=CCNCCCCC 2230a_100020586998_100000210326 [2,0,0,0,0,0|1,0,1]=4 782 B8R0.4 C=CCOCCCCC 34a_100000210253_100015514636 [2,0,0,0,0,0|1,0,1]=4 783 B8R0.4 C=CCOCCCCC 34a_200000210373_100000718602 [2,0,0,0,0,0|1,0,1]=4 784 B8R0.4 C=CCOCCCCC 7a_100000210253_100015514636 [2,0,0,0,0,0|1,0,1]=4 785 B8R0.4 C=CCSCCCCC 62a_100000210326_100000210623 [2,0,0,0,0,0|1,0,1]=4 786 B8R0.4 C=CCSCCCCC 62a_100000210623_100000210326 [2,0,0,0,0,0|1,0,1]=4 787 B8R0.4 CC/C=C/CCCOC 34a_100016287902_200000210301 [2,0,0,0,0,0|1,0,1]=4 788 B8R0.4 CC/C=C/CCCOC 7a_100016287902_200000210301 [2,0,0,0,0,0|1,0,1]=4 789 B8R0.4 CC/C=C/CCCO[13CH3] 34a_100016287902_200025704644 [2,0,0,0,0,0|1,0,1]=4 790 B8R0.4 CC/C=C/CCCO[13CH3] 7a_100016287902_200025704644 [2,0,0,0,0,0|1,0,1]=4 791 B8R0.4 CC/C=C\CCNCC 2230a_100015525214_100015370543 [2,0,0,0,0,0|1,0,1]=4 792 B8R0.4 CC/C=C\CCOCC 34a_100016288707_100000210202 [2,0,0,0,0,0|1,0,1]=4 793 B8R0.4 CC/C=C\CCOCC 34a_100121572206_100015370543 [2,0,0,0,0,0|1,0,1]=4 794 B8R0.4 CC/C=C\CCOCC 7a_100016288707_100000210202 [2,0,0,0,0,0|1,0,1]=4 795 B8R0.4 CC/C=C\CCSCC 62a_100000210202_100015370543 [2,0,0,0,0,0|1,0,1]=4 796 B8R0.4 CC/C=C\CCSCC 62a_100015370543_100000210202 [2,0,0,0,0,0|1,0,1]=4 797 B8R0.4 CC/C=C\COCCC 34a_100000210258_100103147603 [2,0,0,0,0,0|1,0,1]=4 798 B8R0.4 CC/C=C\COCCC 34a_100016268518_100000210303 [2,0,0,0,0,0|1,0,1]=4 799 B8R0.4 CC/C=C\CSCCC 62a_100000210303_100103147603 [2,0,0,0,0,0|1,0,1]=4 800 B8R0.4 CC/C=C\CSCCC 62a_100103147603_100000210303 [2,0,0,0,0,0|1,0,1]=4 801 B8R0.4 CC=C=CCCOCC 34a_100011020354_100000210202 [2,0,0,0,0,0|1,0,1]=4 802 B8R0.4 CC=CCCCOCC 34a_100020645299_100000210202 [2,0,0,0,0,0|1,0,1]=4 803 B8R0.4 CC=CCNCCCC 2230a_100000102301_100000070051 [2,0,0,0,0,0|1,0,1]=4 804 B8R0.4 CC=CCNCCCC 7a_106832991798_100000070051 [2,0,0,0,0,0|1,0,1]=4 805 B8R0.4 CC=CCOCCCC 34a_100000210227_100000070051 [2,0,0,0,0,0|1,0,1]=4 806 B8R0.4 CC=CCOCCCC 7a_100000210227_100000070051 [2,0,0,0,0,0|1,0,1]=4 807 B8R0.4 CC=CCSCCCC 62a_100000070051_100000210210 [2,0,0,0,0,0|1,0,1]=4 808 B8R0.4 CC=CCSCCCC 62a_100000210211_100000070051 [2,0,0,0,0,0|1,0,1]=4 809 B8R0.4 CC=NNCCCCC 4a_100000694160_200000210099 [2,0,0,0,0,0|2,0,0]=4 810 B8R0.4 CCCC/C=C/COC 34a_200016272032_200000210301 [2,0,0,0,0,0|1,0,1]=4 811 B8R0.4 CCCC/C=C/COC 7a_200016272032_200000210301 [2,0,0,0,0,0|1,0,1]=4 812 B8R0.4 CCCC/C=C/CO[13CH3] 34a_200016272032_200025704644 [2,0,0,0,0,0|1,0,1]=4 813 B8R0.4 CCCC/C=C/CO[13CH3] 7a_200016272032_200025704644 [2,0,0,0,0,0|1,0,1]=4 814 B8R0.4 CCCCCNCCO 2230a_100000209983_100000211926 [2,0,0,0,0,0|1,0,1]=4 815 B8R0.4 CCCCCNCCO 2230a_100016997473_100000210326 [2,0,0,0,0,0|1,0,1]=4 816 B8R0.4 CCCCCNCCO 34a_100016990907_100000718602 [2,0,0,0,0,0|1,0,1]=4 817 B8R0.4 CCCCCOCCO 34a_100000210253_100000211926 [2,0,0,0,0,0|1,0,1]=4 818 B8R0.4 CCCCCOCCO 7a_100000210253_100000211926 [2,0,0,0,0,0|1,0,1]=4 819 B8R0.4 CCCCCSCCO 62a_100000210326_100000211926 [2,0,0,0,0,0|1,0,1]=4 820 B8R0.4 CCCCCSCCO 62a_100000211926_100000210326 [2,0,0,0,0,0|1,0,1]=4 821 B10R0.1 C/C=C/C(C)OCCCCC 34a_200102604097_100000718602 [1,1,0,0,0,0|1,0,1]=4 822 B10R0.1 C/C=C/COCC(C)CCC 34a_100000688023_100102629194 [1,1,0,0,0,0|1,0,1]=4 823 B10R0.1 C/C=C/COCC(C)CCC 34a_100016270725_100011216630 [1,1,0,0,0,0|1,0,1]=4 824 B10R0.1 C/C=C/COCC(C)CCC 7a_100000688023_100102629194 [1,1,0,0,0,0|1,0,1]=4 825 B10R0.1 C/C=C/COC[C@@H](N)CCC 34a_100000732646_100102629194 [1,1,0,0,0,0|1,0,1]=4 826 B10R0.1 C/C=C/CSCC(C)CCC 62a_100011216630_100102629194 [1,1,0,0,0,0|1,0,1]=4 827 B10R0.1 C/C=C/CSCC(C)CCC 62a_100102629194_100011216630 [1,1,0,0,0,0|1,0,1]=4 828 B10R0.1 CC=CC(=NNCCCC)C 4a_100025702795_100011218416 [1,1,0,0,0,0|2,0,0]=4 829 B10R0.1 CC=CC(=O)CCCCCC 1458a_100000210699_100000210757 [1,1,0,0,0,0|0,0,1]=3 830 B10R0.1 CC=CC(=O)CCCCCF 1458a_100000210699_100000729378 [1,1,0,0,0,0|1,0,1]=4 831 B10R0.1 CC=CC(=O)CCCCCO 1458a_100000210699_100000746330 [1,1,0,0,0,0|1,0,1]=4 832 B10R0.1 CC=CC(=O)CCCCOC 1458a_100000210699_100000755781 [1,1,0,0,0,0|1,0,1]=4 833 B10R0.1 CC=CC(=O)CCCOCC 1458a_100000210699_100012232248 [1,1,0,0,0,0|1,0,1]=4 834 B10R0.1 CC=CC(=O)CCOCCC 1458a_100000210699_100011215938 [1,1,0,0,0,0|1,0,1]=4 835 B10R0.1 CC=CC(=O)COCCCC 1458a_100000210699_100011995733 [1,1,0,0,0,0|1,0,1]=4 836 B10R0.1 CC=CC(=O)NCCCCC 11a_100000209983_100000210699 [1,1,0,0,0,0|1,0,0]=3 837 B10R0.1 CC=CC(=O)NCCCCC 1626a_100000209983_100000210699 [1,1,0,0,0,0|1,0,0]=3 838 B10R0.1 CC=CC(=O)NCCCCC 240690a_100000209983_100000210699 [1,1,0,0,0,0|1,0,0]=3 839 B10R0.1 CC=CC(=O)NCCCCO 240690a_100000750430_100000210699 [1,1,0,0,0,0|2,0,0]=4 840 B10R0.1 CC=CC(=O)NCCCOC 1626a_100150723488_100000210699 [1,1,0,0,0,0|2,0,0]=4 841 B10R0.1 CC=CC(=O)NCCCOC 240690a_100150723488_100000210699 [1,1,0,0,0,0|2,0,0]=4 842 B10R0.1 CC=CC(=O)NCCCSC 11a_100000749238_100000210699 [1,1,0,0,0,0|2,0,0]=4 843 B10R0.1 CC=CC(=O)NCCCSC 1626a_100000749238_100000210699 [1,1,0,0,0,0|2,0,0]=4 844 B10R0.1 CC=CC(=O)NCCCSC 240690a_100000749238_100000210699 [1,1,0,0,0,0|2,0,0]=4 845 B10R0.1 CC=CC(=O)NCCOCC 11a_100011200944_100000210699 [1,1,0,0,0,0|2,0,0]=4 846 B10R0.1 CC=CC(=O)NCCOCC 1626a_102516460346_100000210699 [1,1,0,0,0,0|2,0,0]=4 847 B10R0.1 CC=CC(=O)NCCOCC 240690a_100011200944_100000210699 [1,1,0,0,0,0|2,0,0]=4 848 B10R0.1 CC=CC(=O)NCCSCC 11a_100000106463_100000210699 [1,1,0,0,0,0|2,0,0]=4 849 B10R0.1 CC=CC(=O)NCCSCC 1626a_100000106463_100000210699 [1,1,0,0,0,0|2,0,0]=4 850 B10R0.1 CC=CC(=O)NCCSCC 240690a_100000106463_100000210699 [1,1,0,0,0,0|2,0,0]=4 851 B10R0.1 CC=CC(=O)NNCCCC 22a_100025702795_100000210699 [1,1,0,0,0,0|2,0,0]=4 852 B10R0.1 CC=CCOCC(C)CCC 34a_100000688023_100000070051 [1,1,0,0,0,0|1,0,1]=4 853 B10R0.1 CC=CCOCC(C)CCC 7a_100000688023_100000070051 [1,1,0,0,0,0|1,0,1]=4 854 B10R0.1 CC=CCOC[C@@H](N)CCC 34a_100000732646_100000070051 [1,1,0,0,0,0|1,0,1]=4 855 B10R0.1 CC=CCSCC(C)CCC 62a_100000070051_100011216630 [1,1,0,0,0,0|1,0,1]=4 856 B10R0.1 CC=CCSCC(C)CCC 62a_100011216630_100000070051 [1,1,0,0,0,0|1,0,1]=4 857 B10R0.1 CCCCC=CC(=O)CCC 1458a_100016266645_100000210303 [1,1,0,0,0,0|1,0,1]=4 858 B10R0.1 CCCCC=CC(=O)CCF 1458a_100016266645_100011217306 [1,1,0,0,0,0|1,0,1]=4 859 B10R0.1 CCCCC=CC(=O)CCO 1458a_100016266645_100000211926 [1,1,0,0,0,0|0,0,1]=3 860 B10R0.1 CCCCC=CC(=O)NCC 11a_100015525214_100016266645 [1,1,0,0,0,0|2,0,0]=4 861 B10R0.1 CCCCC=CC(=O)NCC 240690a_100015525214_100016266645 [1,1,0,0,0,0|2,0,0]=4 862 B10R0.1 CCCCCCC(=O)C=CBr 1458a_100016273825_100000210757 [1,1,0,0,0,0|1,0,1]=4 863 B10R0.1 CCCCCCC(=O)C=CCl 1458a_200016279998_100000210757 [1,1,0,0,0,0|1,0,1]=4 864 B10R0.1 CCCCCCC(=O)C=CI 1458a_100016256311_100000210757 [1,1,0,0,0,0|1,0,1]=4 865 B10R0.1 CCCCCCC(=O)CCO 1458a_100011216618_100000210757 [1,1,0,0,0,0|0,0,2]=4 866 B10R0.1 CCCCCCC(=O)CCO 1458a_100102632555_100000211926 [1,1,0,0,0,0|0,0,2]=4 867 B10R0.1 CCCCCNC(=O)C=CBr 1626a_100000209983_100016273825 [1,1,0,0,0,0|2,0,0]=4 868 B10R0.1 CCCCCNC(=O)C=CBr 240690a_100000209983_100016273825 [1,1,0,0,0,0|2,0,0]=4 869 B10R0.1 CCCCCNC(=O)C=CCl 11a_100000209983_200016279998 [1,1,0,0,0,0|2,0,0]=4 870 B10R0.1 CCCCCNC(=O)C=CCl 1626a_100000209983_200016279998 [1,1,0,0,0,0|2,0,0]=4 871 B10R0.1 CCCCCNC(=O)C=CCl 240690a_100000209983_200016279998 [1,1,0,0,0,0|2,0,0]=4 872 B10R0.1 CCCCCNC(=O)C=CI 1626a_100000209983_100016256311 [1,1,0,0,0,0|2,0,0]=4 873 B10R0.1 CCCCCNC(=O)CCO 240690a_100000209983_100011216618 [1,1,0,0,0,0|1,0,1]=4 874 B10R0.4 C/C=C/C=C/COCC(C)C 34a_100016283227_100000210624 [1,1,0,0,0,0|1,0,0]=3 875 B10R0.4 C/C=C/C=C/COCC(C)O 34a_100016283227_100011218427 [1,1,0,0,0,0|1,0,0]=3 876 B10R0.4 C/C=C/C=C/COCC(F)F 34a_100016283227_100011934356 [1,1,0,0,0,0|2,0,0]=4 877 B10R0.4 C/C=C/C=C/COC[C@@H](C)O 34a_100016283227_100009817552 [1,1,0,0,0,0|1,0,0]=3 878 B10R0.4 C/C=C/CNCCCC(C)C 34a_200000737386_100102629194 [1,1,0,0,0,0|1,0,1]=4 879 B10R0.4 C/C=C/COCCCC(C)C 34a_100000210774_100102629194 [1,1,0,0,0,0|1,0,1]=4 880 B10R0.4 C/C=C/COCCCC(C)C 34a_100016270725_100011214892 [1,1,0,0,0,0|1,0,1]=4 881 B10R0.4 C/C=C/COCCCC(C)C 7a_100000210774_100102629194 [1,1,0,0,0,0|1,0,1]=4 882 B10R0.4 C/C=C/COCCCC(C)O 34a_100016270725_200000718107 [1,1,0,0,0,0|1,0,1]=4 883 B10R0.4 C/C=C/CSCCCC(C)C 62a_100011214892_100102629194 [1,1,0,0,0,0|1,0,1]=4 884 B10R0.4 C/C=C/CSCCCC(C)C 62a_100102629194_100011214892 [1,1,0,0,0,0|1,0,1]=4 885 B10R0.4 C/C=C/CSCCCC(C)O 62a_100102629194_200000718107 [1,1,0,0,0,0|1,0,1]=4 886 B10R0.4 C/C=C/CSCCCC(C)O 62a_200000718107_100102629194 [1,1,0,0,0,0|1,0,1]=4 887 B10R0.4 C=C(C)C=NNCCCCC 4a_100000694160_100000210575 [1,1,0,0,0,0|2,0,0]=4 888 B10R0.4 C=C(C)COC/C=C/C=C/C 34a_100016283227_100000748629 [1,1,0,0,0,0|1,0,1]=4 889 B10R0.4 CC=CCNCCCC(C)C 2230a_200000737386_100000070051 [1,1,0,0,0,0|1,0,1]=4 890 B10R0.4 CC=CCNCCCC(C)C 34a_200000737386_100000070051 [1,1,0,0,0,0|1,0,1]=4 891 B10R0.4 CC=CCOCCCC(C)C 34a_100000210774_100000070051 [1,1,0,0,0,0|1,0,1]=4 892 B10R0.4 CC=CCOCCCC(C)C 7a_100000210774_100000070051 [1,1,0,0,0,0|1,0,1]=4 893 B10R0.4 CC=CCSCCCC(C)C 62a_100000070051_100011214892 [1,1,0,0,0,0|1,0,1]=4 894 B10R0.4 CC=CCSCCCC(C)C 62a_100011214892_100000070051 [1,1,0,0,0,0|1,0,1]=4 895 B10R0.4 CC=CCSCCCC(C)O 62a_100000070051_200000718107 [1,1,0,0,0,0|1,0,1]=4 896 B10R0.4 CC=CCSCCCC(C)O 62a_200000718107_100000070051 [1,1,0,0,0,0|1,0,1]=4 897 B10R0.4 CCCCC/C=C/CC(=O)C 1458a_100020675968_200000210301 [1,1,0,0,0,0|0,0,1]=3 898 B10R0.4 CCCCC/C=C/CC(=O)[13CH3] 1458a_100020675968_200025704644 [1,1,0,0,0,0|0,0,1]=3 899 B10R0.4 CCCCCC=NNC(=O)C 4a_100000189765_100000737632 [1,1,0,0,0,0|2,0,0]=4 900 B10R0.4 CCCCCCC=CC(=O)C 1458a_200015324643_200000210301 [1,1,0,0,0,0|0,0,1]=3 901 B10R0.4 CCCCCCC=CC(=O)[13CH3] 1458a_200015324643_200025704644 [1,1,0,0,0,0|0,0,1]=3 902 B10R0.4 CCCCCNCC=C(C)C 2230a_100000209983_100000761012 [1,1,0,0,0,0|1,0,1]=4 903 B10R0.4 CCCCCNCC=C(C)C 34a_100000718196_100000718602 [1,1,0,0,0,0|1,0,1]=4 904 B10R0.4 CCCCCOCC=C(C)C 34a_100000210253_100000761012 [1,1,0,0,0,0|1,0,1]=4 905 B10R0.4 CCCCCOCC=C(C)C 34a_100000753907_100000718602 [1,1,0,0,0,0|1,0,1]=4 906 B10R0.4 CCCCCOCC=C(C)C 7a_100000210253_100000761012 [1,1,0,0,0,0|1,0,1]=4 907 B10R0.4 CCCCCSCC=C(C)C 62a_100000210326_100000761012 [1,1,0,0,0,0|1,0,1]=4 908 B10R0.4 CCCCCSCC=C(C)C 62a_100000761012_100000210326 [1,1,0,0,0,0|1,0,1]=4 909 B10R0.4 CCCCNN=CC=C(C)C 4a_100025702795_100011215525 [1,1,0,0,0,0|2,0,0]=4 910 B10R0.74 C/C=C(\C)/C=NNCCCC 4a_100025702795_100020587592 [1,1,0,0,0,0|2,0,0]=4 911 B10R0.74 C/C=C/C=C/COC(C)CC 34a_100016283227_100011215416 [1,1,0,0,0,0|1,0,0]=3 912 B10R0.74 C/C=C/C=C/COC(C)CO 34a_100016283227_100012180447 [1,1,0,0,0,0|2,0,0]=4 913 B10R0.74 C/C=C/COCCC(C)CC 7a_100011215188_100102629194 [1,1,0,0,0,0|1,0,1]=4 914 B10R0.74 CC=CCNCCC(C)CC 2230a_100020591266_100000070051 [1,1,0,0,0,0|1,0,1]=4 915 B10R0.74 CC=CCOCCC(C)CC 7a_100011215188_100000070051 [1,1,0,0,0,0|1,0,1]=4 916 B10R0.74 CCC/C=C/C=CC(=O)CC 1458a_200016258893_100000210202 [1,1,0,0,0,0|1,0,1]=4 917 B10R0.74 CCC/C=C/C=CC(=O)CF 1458a_200016258893_100015361967 [1,1,0,0,0,0|1,0,1]=4 918 B10R0.74 CCCC/C=C/CC(=O)CC 1458a_200016282684_100000210202 [1,1,0,0,0,0|1,0,1]=4 919 B10R0.74 CCCC/C=C/CC(=O)CF 1458a_200016282684_100015361967 [1,1,0,0,0,0|1,0,1]=4 920 B10R0.74 CCCCCC=CC(=O)CC 1458a_100016263427_100000210202 [1,1,0,0,0,0|0,0,1]=3 921 B10R0.74 CCCCCC=CC(=O)CF 1458a_100016263427_100015361967 [1,1,0,0,0,0|1,0,0]=3 922 B10R0.74 CCCCCC=CC(=O)NC 11a_106832991635_100016263427 [1,1,0,0,0,0|1,0,0]=3 923 B10R0.74 CCCCCC=CC(=O)NC 1626a_100102657272_100016263427 [1,1,0,0,0,0|1,0,0]=3 924 B10R0.74 CCCCCC=CC(=O)NC 240690a_100102657272_100016263427 [1,1,0,0,0,0|1,0,0]=3 925 B10R0.74 CCCCCCCC(=O)CO 1458a_100000210174_100000210614 [1,1,0,0,0,0|0,0,2]=4 926 B10R0.74 CCCCCCNC(=O)CO 240690a_100000210581_100000210174 [1,1,0,0,0,0|1,0,1]=4 927 B10R0.74 CCCCCCNC(=O)CO 527a_100000210581_100000210174 [1,1,0,0,0,0|1,0,1]=4 928 B10R0.74 CCCCCNN=C(C)CO 4a_100000694160_100000211253 [1,1,0,0,0,0|2,0,0]=4 929 B10R0.74 CCCCCNNC(=O)CO 22a_100000694160_100000210174 [1,1,0,0,0,0|2,0,0]=4 930 B10R0.74 CCCOC/C=C/C(=O)OC 34a_100000210258_100000742655 [1,1,0,0,0,0|2,0,0]=4 931 B10R0.74 CCCSC/C=C/C(=O)OC 62a_100000210303_100000742655 [1,1,0,0,0,0|2,0,0]=4 932 B10R0.74 CCCSC/C=C/C(=O)OC 62a_100000742655_100000210303 [1,1,0,0,0,0|2,0,0]=4 933 B10R0.91 C/C=C/C=CC(=O)CCCC 1458a_100000185730_100000210211 [1,1,0,0,0,0|0,0,1]=3 934 B10R0.91 C/C=C/C=CC(=O)CCCF 1458a_100000185730_100011934791 [1,1,0,0,0,0|1,0,1]=4 935 B10R0.91 C/C=C/C=CC(=O)CCCO 1458a_100000185730_100011215043 [1,1,0,0,0,0|1,0,1]=4 936 B10R0.91 C/C=C/C=CC(=O)CCOC 1458a_100000185730_100000233755 [1,1,0,0,0,0|1,0,1]=4 937 B10R0.91 C/C=C/C=CC(=O)CCSC 1458a_100000185730_100000751147 [1,1,0,0,0,0|1,0,1]=4 938 B10R0.91 C/C=C/C=CC(=O)NCCC 11a_100020643023_100000185730 [1,1,0,0,0,0|1,0,1]=4 939 B10R0.91 C/C=C/C=CC(=O)NCCC 1626a_100020643023_100000185730 [1,1,0,0,0,0|1,0,1]=4 940 B10R0.91 C/C=C/C=CC(=O)NCCC 240690a_100020643023_100000185730 [1,1,0,0,0,0|1,0,1]=4 941 B10R0.91 C/C=C/CC(=O)CCCCC 1458a_100000212188_100102629194 [1,1,0,0,0,0|0,0,1]=3 942 B10R0.91 C/C=C/CC(=O)CCCCO 1458a_100000695505_100102629194 [1,1,0,0,0,0|1,0,1]=4 943 B10R0.91 C/C=C/CC(=O)CCCOC 1458a_100000741012_100102629194 [1,1,0,0,0,0|1,0,1]=4 944 B10R0.91 C/C=C/CC(=O)CCCSC 1458a_100000173376_100102629194 [1,1,0,0,0,0|1,0,1]=4 945 B10R0.91 C/C=C/CC(=O)CCOCC 1458a_100000749530_100102629194 [1,1,0,0,0,0|1,0,1]=4 946 B10R0.91 C/C=C/CC(=O)CCSCC 1458a_100000230768_100102629194 [1,1,0,0,0,0|1,0,1]=4 947 B10R0.91 C/C=C/CC(=O)COCCC 1458a_100000745993_100102629194 [1,1,0,0,0,0|1,0,1]=4 948 B10R0.91 C/C=C/CC(=O)CSCCC 1458a_100000217233_100102629194 [1,1,0,0,0,0|1,0,1]=4 949 B10R0.91 C/C=C/CN(C)CCCCC 269982a_100000223495_100102629194 [1,1,0,0,0,0|1,0,1]=4 950 B10R0.91 C/C=C/COC(C)CCCC 34a_100000687866_100102629194 [1,1,0,0,0,0|1,0,1]=4 951 B10R0.91 C/C=C/COC(C)CCCC 34a_100016270725_200011215066 [1,1,0,0,0,0|1,0,1]=4 952 B10R0.91 C/C=C/COC(C)CCCC 7a_100000687866_100102629194 [1,1,0,0,0,0|1,0,1]=4 953 B10R0.91 C/C=C/CSC(C)CCCC 62a_100102629194_200011215066 [1,1,0,0,0,0|1,0,1]=4 954 B10R0.91 C/C=C/CSC(C)CCCC 62a_200011215066_100102629194 [1,1,0,0,0,0|1,0,1]=4 955 B10R0.91 C=CC=CC(=O)CCCCC 1458a_100016291481_100000210326 [1,1,0,0,0,0|0,0,1]=3 956 B10R0.91 C=CC=CC(=O)CCCCF 1458a_100016291481_100000729493 [1,1,0,0,0,0|1,0,1]=4 957 B10R0.91 C=CC=CC(=O)CCCCO 1458a_100016291481_100000210776 [1,1,0,0,0,0|1,0,1]=4 958 B10R0.91 C=CC=CC(=O)CCCOC 1458a_100016291481_100000740836 [1,1,0,0,0,0|1,0,1]=4 959 B10R0.91 C=CC=CC(=O)CCOCC 1458a_100016291481_100011215890 [1,1,0,0,0,0|1,0,1]=4 960 B10R0.91 C=CC=CC(=O)CCSCC 1458a_100016291481_100000757381 [1,1,0,0,0,0|1,0,1]=4 961 B10R0.91 C=CC=CC(=O)NCCCC 1626a_100000102301_100016291481 [1,1,0,0,0,0|1,0,1]=4 962 B10R0.91 CC/C=C/CC(=O)CCCC 1458a_100016274230_100000210211 [1,1,0,0,0,0|1,0,1]=4 963 B10R0.91 CC/C=C\CC(=O)CCCC 1458a_100000210183_100103147603 [1,1,0,0,0,0|1,0,1]=4 964 B10R0.91 CC=CCC(=O)CCCCC 1458a_100000212188_100000070051 [1,1,0,0,0,0|0,0,1]=3 965 B10R0.91 CC=CCC(=O)CCCCC 1458a_100121576822_100000210326 [1,1,0,0,0,0|0,0,1]=3 966 B10R0.91 CC=CCC(=O)CCCCF 1458a_100121576822_100000729493 [1,1,0,0,0,0|1,0,1]=4 967 B10R0.91 CC=CCC(=O)CCCCO 1458a_100000695505_100000070051 [1,1,0,0,0,0|1,0,1]=4 968 B10R0.91 CC=CCC(=O)CCCCO 1458a_100121576822_100000210776 [1,1,0,0,0,0|1,0,1]=4 969 B10R0.91 CC=CCC(=O)CCCOC 1458a_100000741012_100000070051 [1,1,0,0,0,0|1,0,1]=4 970 B10R0.91 CC=CCC(=O)CCCOC 1458a_100121576822_100000740836 [1,1,0,0,0,0|1,0,1]=4 971 B10R0.91 CC=CCC(=O)CCCSC 1458a_100000173376_100000070051 [1,1,0,0,0,0|1,0,1]=4 972 B10R0.91 CC=CCC(=O)CCOCC 1458a_100000749530_100000070051 [1,1,0,0,0,0|1,0,1]=4 973 B10R0.91 CC=CCC(=O)CCOCC 1458a_100121576822_100011215890 [1,1,0,0,0,0|1,0,1]=4 974 B10R0.91 CC=CCC(=O)CCSCC 1458a_100000230768_100000070051 [1,1,0,0,0,0|1,0,1]=4 975 B10R0.91 CC=CCC(=O)CCSCC 1458a_100121576822_100000757381 [1,1,0,0,0,0|1,0,1]=4 976 B10R0.91 CC=CCC(=O)COCCC 1458a_100000745993_100000070051 [1,1,0,0,0,0|1,0,1]=4 977 B10R0.91 CC=CCC(=O)CSCCC 1458a_100000217233_100000070051 [1,1,0,0,0,0|1,0,1]=4 978 B10R0.91 CC=CCC(=O)NCCCC 11a_100000102301_100121576822 [1,1,0,0,0,0|1,0,1]=4 979 B10R0.91 CC=CCC(=O)NCCCC 1626a_100000102301_100121576822 [1,1,0,0,0,0|1,0,1]=4 980 B10R0.91 CC=CCC(=O)NCCCC 240690a_100000102301_100121576822 [1,1,0,0,0,0|1,0,1]=4 981 B10R0.91 CC=CCC(=O)NCCCC 527a_100000102301_100121576822 [1,1,0,0,0,0|1,0,1]=4 982 B10R0.91 CC=CCN(C)CCCCC 2230a_100000223495_100000070051 [1,1,0,0,0,0|1,0,1]=4 983 B10R0.91 CC=CCNC(C)CCCC 2230a_100000126638_100000070051 [1,1,0,0,0,0|1,0,1]=4 984 B10R0.91 CC=CCOC(C)CCCC 34a_100000687866_100000070051 [1,1,0,0,0,0|1,0,1]=4 985 B10R0.91 CC=CCOC(C)CCCC 7a_100000687866_100000070051 [1,1,0,0,0,0|1,0,1]=4 986 B10R0.91 CC=CCSC(C)CCCC 62a_100000070051_200011215066 [1,1,0,0,0,0|1,0,1]=4 987 B10R0.91 CC=CCSC(C)CCCC 62a_200011215066_100000070051 [1,1,0,0,0,0|1,0,1]=4 988 B10R0.91 CC=NNC(=O)CCCCC 4a_100000189784_200000210099 [1,1,0,0,0,0|2,0,0]=4 989 B10R0.91 CCC=CC(=O)CCCCC 1458a_100000212282_100000210326 [1,1,0,0,0,0|0,0,1]=3 990 B10R0.91 CCC=CC(=O)CCCCF 1458a_100000212282_100000729493 [1,1,0,0,0,0|1,0,1]=4 991 B10R0.91 CCC=CC(=O)CCCCO 1458a_100000212282_100000210776 [1,1,0,0,0,0|1,0,1]=4 992 B10R0.91 CCC=CC(=O)CCCOC 1458a_100000212282_100000740836 [1,1,0,0,0,0|1,0,1]=4 993 B10R0.91 CCC=CC(=O)CCOCC 1458a_100000212282_100011215890 [1,1,0,0,0,0|1,0,1]=4 994 B10R0.91 CCC=CC(=O)CCSCC 1458a_100000212282_100000757381 [1,1,0,0,0,0|1,0,1]=4 995 B10R0.91 CCC=CC(=O)NCCCC 11a_100000102301_100000212282 [1,1,0,0,0,0|1,0,1]=4 996 B10R0.91 CCC=CC(=O)NCCCC 1626a_100000102301_100000212282 [1,1,0,0,0,0|1,0,1]=4 997 B10R0.91 CCC=CC(=O)NCCCC 240690a_100000102301_100000212282 [1,1,0,0,0,0|1,0,1]=4 998 B10R0.91 CCCC=CC(=O)CCCC 1458a_100000212230_100000210211 [1,1,0,0,0,0|1,0,1]=4 999 B10R0.91 CCCCC(=O)C=COCC 1458a_100016266692_100000210211 [1,1,0,0,0,0|2,0,0]=4 1000 B10R0.91 CCCCCC(=O)C#CCO 1458a_100000049017_100000210326 [1,1,0,0,0,0|0,0,2]=4 1001 B10R0.91 CCCCCC(=O)C=COC 1458a_100016268678_100000210326 [1,1,0,0,0,0|1,0,0]=3 1002 B10R0.91 CCCCCC(=O)CCCO 1458a_100000212188_100011215043 [1,1,0,0,0,0|0,0,2]=4 1003 B10R0.91 CCCCCC(=O)NCCO 240690a_100000210304_100000212188 [1,1,0,0,0,0|1,0,1]=4 1004 B10R0.91 CCCCCC(=O)NCCO 527a_100000210304_100000212188 [1,1,0,0,0,0|1,0,1]=4 1005 B10R0.91 CCCCNC(=O)C=COC 1626a_100000102301_100016268678 [1,1,0,0,0,0|2,0,0]=4 1006 B10R0.91 CCCCNC(=O)C=COC 240690a_100000102301_100016268678 [1,1,0,0,0,0|2,0,0]=4 1007 B10R0.91 CCOCCC(=O)C=COC 1458a_100016268678_100011215890 [1,1,0,0,0,0|2,0,0]=4 1008 B10R0.91 CCSCCC(=O)C=COC 1458a_100016268678_100000757381 [1,1,0,0,0,0|2,0,0]=4 1009 B10R0.91 COC=CC(=O)CCCCF 1458a_100016268678_100000729493 [1,1,0,0,0,0|2,0,0]=4 1010 B10R0.91 COC=CC(=O)CCCCO 1458a_100016268678_100000210776 [1,1,0,0,0,0|2,0,0]=4 1011 B10R0.91 COC=CC(=O)CCCOC 1458a_100016268678_100000740836 [1,1,0,0,0,0|2,0,0]=4 1012 B12R0.1 C#CCC(=O)C/C=C/CCCCC 1458a_100020675968_100000184674 [0,2,0,0,0,0|1,0,1]=4 1013 B12R0.1 C#CCC(=O)C=CCCCCCC 1458a_200015324643_100000184674 [0,2,0,0,0,0|1,0,1]=4 1014 B12R0.1 C=CCC(=O)C/C=C/CCCCC 1458a_100020675968_100000210623 [0,2,0,0,0,0|1,0,1]=4 1015 B12R0.1 C=CCC(=O)C=CCCCCCC 1458a_200015324643_100000210623 [0,2,0,0,0,0|1,0,1]=4 1016 B12R0.1 CC/C=C(\C)/C=NNCCCCC 4a_100000694160_100020678925 [0,2,0,0,0,0|2,0,0]=4 1017 B12R0.1 CCCCC/C=C/CC(=O)CC#N 1458a_100020675968_100011214920 [0,2,0,0,0,0|1,0,1]=4 1018 B12R0.1 CCCCC/C=C/CC(=O)CCC 1458a_100020675968_100000210303 [0,2,0,0,0,0|1,0,1]=4 1019 B12R0.1 CCCCC/C=C/CC(=O)CCF 1458a_100020675968_100011217306 [0,2,0,0,0,0|1,0,1]=4 1020 B12R0.1 CCCCC/C=C/CC(=O)CCO 1458a_100020675968_100000211926 [0,2,0,0,0,0|0,0,1]=3 1021 B12R0.1 CCCCC/C=C/CC(=O)NCC 11a_100015525214_100020675968 [0,2,0,0,0,0|1,0,1]=4 1022 B12R0.1 CCCCC/C=C/CC(=O)NCC 240690a_100015525214_100020675968 [0,2,0,0,0,0|1,0,1]=4 1023 B12R0.1 CCCCCC=NNC(=O)COC 4a_100000216845_100000737632 [0,2,0,0,0,0|2,0,0]=4 1024 B12R0.1 CCCCCCC=CC(=O)CC#N 1458a_200015324643_100011214920 [0,2,0,0,0,0|1,0,1]=4 1025 B12R0.1 CCCCCCC=CC(=O)CCC 1458a_200015324643_100000210303 [0,2,0,0,0,0|1,0,1]=4 1026 B12R0.1 CCCCCCC=CC(=O)CCF 1458a_200015324643_100011217306 [0,2,0,0,0,0|1,0,1]=4 1027 B12R0.1 CCCCCCC=CC(=O)CCO 1458a_200015324643_100000211926 [0,2,0,0,0,0|0,0,1]=3 1028 B12R0.1 CCCCCCC=CC(=O)NCC 11a_100015525214_200015324643 [0,2,0,0,0,0|1,0,1]=4 1029 B12R0.1 CCCCCCC=CC(=O)NCC 240690a_100015525214_200015324643 [0,2,0,0,0,0|1,0,1]=4 1030 B12R0.1 CCCCNC/C=C/C(=O)OCC 2230a_100000102301_100016267167 [0,2,0,0,0,0|2,0,0]=4 1031 B12R0.1 CCCCNC/C=C/C(=O)OCC 7a_106832991798_100016267167 [0,2,0,0,0,0|2,0,0]=4 1032 B12R0.1 CCCCOC/C=C/C(=O)OCC 34a_100000210227_100016267167 [0,2,0,0,0,0|2,0,0]=4 1033 B12R0.1 CCCCOC/C=C/C(=O)OCC 7a_100000210227_100016267167 [0,2,0,0,0,0|2,0,0]=4 1034 B12R0.1 CCCCSC/C=C/C(=O)OCC 62a_100000210211_100016267167 [0,2,0,0,0,0|2,0,0]=4 1035 B12R0.1 CCCCSC/C=C/C(=O)OCC 62a_100016267167_100000210210 [0,2,0,0,0,0|2,0,0]=4 1036 B12R0.5 CC/C=C/C/C=C/CCOCCC 34a_200016273837_100000210303 [0,2,0,0,0,0|1,0,0]=3 1037 B12R0.5 CC/C=C/C/C=C/CCOCCC 7a_200016273837_100000210303 [0,2,0,0,0,0|1,0,0]=3 1038 B12R0.5 CC/C=C/C/C=C/CCOCCF 34a_200016273837_100011217306 [0,2,0,0,0,0|2,0,0]=4 1039 B12R0.5 CC/C=C/C/C=C/CCOCCF 7a_200016273837_100011217306 [0,2,0,0,0,0|2,0,0]=4 1040 B12R0.5 CC/C=C/C/C=C/CCOCCO 34a_200016273837_100000211926 [0,2,0,0,0,0|2,0,0]=4 1041 B12R0.5 CC/C=C/C/C=C/CCOCCO 7a_200016273837_100000211926 [0,2,0,0,0,0|2,0,0]=4 1042 B12R0.5 CC/C=C/C/C=C/CCOCSC 34a_200016273837_100011218213 [0,2,0,0,0,0|2,0,0]=4 1043 B12R0.5 CC/C=C/CC/C=C/COCCC 34a_100016264143_100000210303 [0,2,0,0,0,0|2,0,0]=4 1044 B12R0.5 CC/C=C/CC/C=C/COCCC 7a_100016264143_100000210303 [0,2,0,0,0,0|2,0,0]=4 1045 B12R0.5 CC=CC=CC=NNCCCCC 4a_100000694160_100000691131 [0,2,0,0,0,0|1,0,1]=4 1046 B12R0.5 CCC/C=C/C=C/COCCCC 34a_100016294078_100000210210 [0,2,0,0,0,0|1,0,0]=3 1047 B12R0.5 CCC/C=C/C=C/COCCCF 34a_100016294078_100011934791 [0,2,0,0,0,0|2,0,0]=4 1048 B12R0.5 CCC/C=C/C=C/COCCCO 34a_100016294078_100000230001 [0,2,0,0,0,0|2,0,0]=4 1049 B12R0.5 CCC/C=C/C=C/COCCOC 34a_100016294078_100011201679 [0,2,0,0,0,0|2,0,0]=4 1050 B12R0.5 CCC/C=C/C=C/COCCSC 34a_100016294078_100000212216 [0,2,0,0,0,0|2,0,0]=4 1051 B12R0.5 CCC=CC=CC=NNCCCC 4a_100025702795_100103038579 [0,2,0,0,0,0|1,0,1]=4 1052 B12R0.5 CCCC/C=C/C=CC=NNCC 4a_100000756455_200016287853 [0,2,0,0,0,0|1,0,1]=4 1053 B12R0.5 CCCC=CC=NNCCCCC 4a_100000694160_100016266791 [0,2,0,0,0,0|1,0,1]=4 1054 B12R0.5 CCCCC/C=C/C=C/COCC 34a_200014065772_100000210202 [0,2,0,0,0,0|0,0,0]=2 1055 B12R0.5 CCCCC/C=C/C=C/COCC 7a_200014065772_100000210202 [0,2,0,0,0,0|0,0,0]=2 1056 B12R0.5 CCCCC/C=C/C=C/COCF 34a_200014065772_100015361967 [0,2,0,0,0,0|0,0,0]=2 1057 B12R0.5 CCCCC/C=C/C=C/COCF 7a_200014065772_100015361967 [0,2,0,0,0,0|0,0,0]=2 1058 B12R0.5 CCCCC/C=C/COCCCO 34a_100016258190_100000230001 [0,2,0,0,0,0|0,0,2]=4 1059 B12R0.5 CCCCC/C=C/COCCCO 7a_100016258190_100011215043 [0,2,0,0,0,0|0,0,2]=4 1060 B12R0.5 CCCCC/C=C/COCCOC 34a_100016258190_100011201679 [0,2,0,0,0,0|0,0,2]=4 1061 B12R0.5 CCCCC/C=C/COCCOC 7a_100016258190_100000233755 [0,2,0,0,0,0|0,0,2]=4 1062 B12R0.5 CCCCC/C=C\CCCOCC 34a_100020655193_100000210202 [0,2,0,0,0,0|0,0,2]=4 1063 B12R0.5 CCCCC/C=C\CCCOCC 7a_100020655193_100000210202 [0,2,0,0,0,0|0,0,2]=4 1064 B12R0.5 CCCCC/C=C\CCCOCF 34a_100020655193_100015361967 [0,2,0,0,0,0|0,0,2]=4 1065 B12R0.5 CCCCC/C=C\CCCOCF 7a_100020655193_100015361967 [0,2,0,0,0,0|0,0,2]=4 1066 B12R0.5 CCCCC/C=C\CCOCCO 34a_100016277358_100000211926 [0,2,0,0,0,0|0,0,2]=4 1067 B12R0.5 CCCCC/C=C\CCOCCO 7a_100016277358_100000211926 [0,2,0,0,0,0|0,0,2]=4 1068 B12R0.5 CCCCCC/C=C/C=C/COC 34a_200028454808_200000210301 [0,2,0,0,0,0|0,0,0]=2 1069 B12R0.5 CCCCCC/C=C/C=C/COC 7a_200028454808_200000210301 [0,2,0,0,0,0|0,0,0]=2 1070 B12R0.5 CCCCCC/C=C/C=C/CO[13CH3] 34a_200028454808_200025704644 [0,2,0,0,0,0|0,0,0]=2 1071 B12R0.5 CCCCCC/C=C/C=C/CO[13CH3] 7a_200028454808_200025704644 [0,2,0,0,0,0|0,0,0]=2 1072 B12R0.5 CCCCCC/C=C/COCCO 34a_200016276170_100000211926 [0,2,0,0,0,0|0,0,2]=4 1073 B12R0.5 CCCCCC/C=C/COCCO 7a_200016276170_100000211926 [0,2,0,0,0,0|0,0,2]=4 1074 B12R0.5 CCCCCC=CC=NNCCC 4a_100000740057_100016268540 [0,2,0,0,0,0|1,0,1]=4 1075 B12R0.5 CCCCCC=CC=NNCCO 4a_100000210001_100016268540 [0,2,0,0,0,0|0,0,1]=3 1076 B12R0.5 CCCCCCC=CC=NNCC 4a_100000756455_100016264548 [0,2,0,0,0,0|1,0,1]=4 1077 B12R0.5 CCCCCCCC/C=C/COC 34a_200020667288_200000210301 [0,2,0,0,0,0|0,0,2]=4 1078 B12R0.5 CCCCCCCC/C=C/COC 7a_200020667288_200000210301 [0,2,0,0,0,0|0,0,2]=4 1079 B12R0.5 CCCCCCCC/C=C/CO[13CH3] 34a_200020667288_200025704644 [0,2,0,0,0,0|0,0,2]=4 1080 B12R0.5 CCCCCCCC/C=C/CO[13CH3] 7a_200020667288_200025704644 [0,2,0,0,0,0|0,0,2]=4 1081 B12R0.47 C/C=C/C=CC(=O)CCCCCC 1458a_100000185730_100000210757 [0,2,0,0,0,0|1,0,1]=4 1082 B12R0.47 C/C=C/C=CC(=O)CCCCCF 1458a_100000185730_100000729378 [0,2,0,0,0,0|1,0,1]=4 1083 B12R0.47 C/C=C/C=CC(=O)CCCCCO 1458a_100000185730_100000746330 [0,2,0,0,0,0|1,0,1]=4 1084 B12R0.47 C/C=C/C=CC(=O)CCCCOC 1458a_100000185730_100000755781 [0,2,0,0,0,0|1,0,1]=4 1085 B12R0.47 C/C=C/C=CC(=O)CCCOCC 1458a_100000185730_100012232248 [0,2,0,0,0,0|1,0,1]=4 1086 B12R0.47 C/C=C/C=CC(=O)CCOCCC 1458a_100000185730_100011215938 [0,2,0,0,0,0|1,0,1]=4 1087 B12R0.47 C/C=C/C=CC(=O)COCCCC 1458a_100000185730_100011995733 [0,2,0,0,0,0|1,0,1]=4 1088 B12R0.47 C/C=C/C=CC(=O)NCCCCC 11a_100000209983_100000185730 [0,2,0,0,0,0|1,0,1]=4 1089 B12R0.47 C/C=C/C=CC(=O)NCCCCC 1626a_100000209983_100000185730 [0,2,0,0,0,0|1,0,1]=4 1090 B12R0.47 C/C=C/C=CC(=O)NCCCCC 240690a_100000209983_100000185730 [0,2,0,0,0,0|1,0,1]=4 1091 B12R0.47 CC/C=C/CC(=O)CCCCCC 1458a_100016274230_100000210757 [0,2,0,0,0,0|1,0,1]=4 1092 B12R0.47 CC/C=C/CC(=O)CCCCCF 1458a_100016274230_100000729378 [0,2,0,0,0,0|1,0,1]=4 1093 B12R0.47 CC/C=C/CC(=O)CCCCCO 1458a_100016274230_100000746330 [0,2,0,0,0,0|1,0,1]=4 1094 B12R0.47 CC/C=C/CC(=O)CCCCOC 1458a_100016274230_100000755781 [0,2,0,0,0,0|1,0,1]=4 1095 B12R0.47 CC/C=C/CC(=O)CCCOCC 1458a_100016274230_100012232248 [0,2,0,0,0,0|1,0,1]=4 1096 B12R0.47 CC/C=C/CC(=O)CCOCCC 1458a_100016274230_100011215938 [0,2,0,0,0,0|1,0,1]=4 1097 B12R0.47 CC/C=C/CC(=O)COCCCC 1458a_100016274230_100011995733 [0,2,0,0,0,0|1,0,1]=4 1098 B12R0.47 CC/C=C/CC(=O)NCCCCC 11a_100000209983_100016274230 [0,2,0,0,0,0|1,0,1]=4 1099 B12R0.47 CC/C=C/CC(=O)NCCCCC 1626a_100000209983_100016274230 [0,2,0,0,0,0|1,0,1]=4 1100 B12R0.47 CC/C=C/CC(=O)NCCCCC 240690a_100000209983_100016274230 [0,2,0,0,0,0|1,0,1]=4 1101 B12R0.47 CC/C=C/CC(=O)NCCCCC 527a_100000209983_100016274230 [0,2,0,0,0,0|1,0,1]=4 1102 B12R0.47 CC/C=C\CC(=O)C=CCCCC 1458a_100016266645_100103147603 [0,2,0,0,0,0|1,0,1]=4 1103 B12R0.47 CC/C=C\CC(=O)CCCCCC 1458a_100102632555_100103147603 [0,2,0,0,0,0|1,0,1]=4 1104 B12R0.47 CC/C=C\CC(=O)CCCCCO 1458a_100102619762_100103147603 [0,2,0,0,0,0|1,0,1]=4 1105 B12R0.47 CC/C=C\CC(=O)COCCCC 1458a_100000757543_100103147603 [0,2,0,0,0,0|1,0,1]=4 1106 B12R0.47 CC/C=C\CC(=O)CSCCCC 1458a_100000191162_100103147603 [0,2,0,0,0,0|1,0,1]=4 1107 B12R0.47 CC/C=C\CCC(=O)CCCCC 1458a_100000212188_100015370543 [0,2,0,0,0,0|1,0,1]=4 1108 B12R0.47 CCC/C=C/CC(=O)CCCCC 1458a_200016266809_100000210326 [0,2,0,0,0,0|1,0,1]=4 1109 B12R0.47 CCCC=CC(=O)CCCCCC 1458a_100000212230_100000210757 [0,2,0,0,0,0|1,0,1]=4 1110 B12R0.47 CCCC=CC(=O)CCCCCF 1458a_100000212230_100000729378 [0,2,0,0,0,0|1,0,1]=4 1111 B12R0.47 CCCC=CC(=O)CCCCCO 1458a_100000212230_100000746330 [0,2,0,0,0,0|1,0,1]=4 1112 B12R0.47 CCCC=CC(=O)CCCCOC 1458a_100000212230_100000755781 [0,2,0,0,0,0|1,0,1]=4 1113 B12R0.47 CCCC=CC(=O)CCCOCC 1458a_100000212230_100012232248 [0,2,0,0,0,0|1,0,1]=4 1114 B12R0.47 CCCC=CC(=O)CCOCCC 1458a_100000212230_100011215938 [0,2,0,0,0,0|1,0,1]=4 1115 B12R0.47 CCCC=CC(=O)COCCCC 1458a_100000212230_100011995733 [0,2,0,0,0,0|1,0,1]=4 1116 B12R0.47 CCCC=CC(=O)NCCCCC 11a_100000209983_100000212230 [0,2,0,0,0,0|1,0,1]=4 1117 B12R0.47 CCCC=CC(=O)NCCCCC 1626a_100000209983_100000212230 [0,2,0,0,0,0|1,0,1]=4 1118 B12R0.47 CCCC=CC(=O)NCCCCC 240690a_100000209983_100000212230 [0,2,0,0,0,0|1,0,1]=4 1119 B12R0.47 CCCCC=CC(=O)CCCCC 1458a_100016266645_100000210326 [0,2,0,0,0,0|1,0,1]=4 1120 B12R0.47 CCCCCCC(=O)C=CCOC 1458a_100016285016_100000210757 [0,2,0,0,0,0|0,0,1]=3 1121 B12R0.47 CCCCCCC(=O)C=COCC 1458a_100016266692_100000210757 [0,2,0,0,0,0|1,0,1]=4 1122 B12R0.47 CCCCCNC(=O)C=CCOC 11a_100000209983_100016285016 [0,2,0,0,0,0|1,0,0]=3 1123 B12R0.47 CCCCCNC(=O)C=CCOC 1626a_100000209983_100016285016 [0,2,0,0,0,0|1,0,0]=3 1124 B12R0.47 CCCCCNC(=O)C=CCOC 240690a_100000209983_100016285016 [0,2,0,0,0,0|1,0,0]=3 1125 B12R0.47 CCCCCNC(=O)C=COCC 11a_100000209983_100016266692 [0,2,0,0,0,0|2,0,0]=4 1126 B12R0.47 CCCCCNC(=O)C=COCC 1626a_100000209983_100016266692 [0,2,0,0,0,0|2,0,0]=4 1127 B12R0.47 CCCCCNC(=O)C=COCC 240690a_100000209983_100016266692 [0,2,0,0,0,0|2,0,0]=4 1128 B12R0.47 CCCCNNC(=O)C=CCOC 22a_100025702795_100016285016 [0,2,0,0,0,0|2,0,0]=4 1129 B12R0.47 CCCCOCC(=O)C=CCOC 1458a_100016285016_100011995733 [0,2,0,0,0,0|1,0,1]=4 1130 B12R0.47 CCCCOCC(=O)C=COCC 1458a_100016266692_100011995733 [0,2,0,0,0,0|2,0,0]=4 1131 B12R0.47 CCCOCCC(=O)C=CCOC 1458a_100016285016_100011215938 [0,2,0,0,0,0|1,0,1]=4 1132 B12R0.47 CCCOCCC(=O)C=COCC 1458a_100016266692_100011215938 [0,2,0,0,0,0|2,0,0]=4 1133 B12R0.47 CCOC=CC(=O)CCCCCF 1458a_100016266692_100000729378 [0,2,0,0,0,0|2,0,0]=4 1134 B12R0.47 CCOC=CC(=O)CCCCCO 1458a_100016266692_100000746330 [0,2,0,0,0,0|2,0,0]=4 1135 B12R0.47 CCOC=CC(=O)CCCCOC 1458a_100016266692_100000755781 [0,2,0,0,0,0|2,0,0]=4 1136 B12R0.47 CCOC=CC(=O)CCCOCC 1458a_100016266692_100012232248 [0,2,0,0,0,0|2,0,0]=4 1137 B12R0.47 CCOCCCC(=O)C=CCOC 1458a_100016285016_100012232248 [0,2,0,0,0,0|1,0,1]=4 1138 B12R0.47 CCOCCNC(=O)C=CCOC 11a_100011200944_100016285016 [0,2,0,0,0,0|2,0,0]=4 1139 B12R0.47 CCOCCNC(=O)C=CCOC 1626a_102516460346_100016285016 [0,2,0,0,0,0|2,0,0]=4 1140 B12R0.47 CCOCCNC(=O)C=CCOC 240690a_100011200944_100016285016 [0,2,0,0,0,0|2,0,0]=4 1141 B12R0.47 CCSCCNC(=O)C=CCOC 11a_100000106463_100016285016 [0,2,0,0,0,0|2,0,0]=4 1142 B12R0.47 CCSCCNC(=O)C=CCOC 1626a_100000106463_100016285016 [0,2,0,0,0,0|2,0,0]=4 1143 B12R0.47 CCSCCNC(=O)C=CCOC 240690a_100000106463_100016285016 [0,2,0,0,0,0|2,0,0]=4 1144 B12R0.47 COCC=CC(=O)CCCCCF 1458a_100016285016_100000729378 [0,2,0,0,0,0|1,0,1]=4 1145 B12R0.47 COCC=CC(=O)CCCCCO 1458a_100016285016_100000746330 [0,2,0,0,0,0|1,0,1]=4 1146 B12R0.47 COCC=CC(=O)CCCCOC 1458a_100016285016_100000755781 [0,2,0,0,0,0|1,0,1]=4 1147 B12R0.47 COCC=CC(=O)NCCCCO 240690a_100000750430_100016285016 [0,2,0,0,0,0|2,0,0]=4 1148 B12R0.47 COCC=CC(=O)NCCCOC 1626a_100150723488_100016285016 [0,2,0,0,0,0|2,0,0]=4 1149 B12R0.47 COCC=CC(=O)NCCCOC 240690a_100150723488_100016285016 [0,2,0,0,0,0|2,0,0]=4 1150 B12R0.47 COCC=CC(=O)NCCCSC 11a_100000749238_100016285016 [0,2,0,0,0,0|2,0,0]=4 1151 B12R0.47 COCC=CC(=O)NCCCSC 1626a_100000749238_100016285016 [0,2,0,0,0,0|2,0,0]=4 1152 B12R0.47 COCC=CC(=O)NCCCSC 240690a_100000749238_100016285016 [0,2,0,0,0,0|2,0,0]=4 1153 B12R0.206 C#CCCC(=O)C=CCCCCC 1458a_100016263427_100000753159 [0,2,0,0,0,0|1,0,1]=4 1154 B12R0.206 C#CCNC(=O)C=CCCCCC 11a_100000212058_100016263427 [0,2,0,0,0,0|2,0,0]=4 1155 B12R0.206 C#CCNC(=O)C=CCCCCC 1626a_100000212058_100016263427 [0,2,0,0,0,0|2,0,0]=4 1156 B12R0.206 C#CCNC(=O)C=CCCCCC 240690a_100000212058_100016263427 [0,2,0,0,0,0|2,0,0]=4 1157 B12R0.206 C/C=C/CC(=O)C=CCCCCC 1458a_100016263427_100102629194 [0,2,0,0,0,0|1,0,1]=4 1158 B12R0.206 C=CCCC(=O)C=CCCCCC 1458a_100016263427_100000754431 [0,2,0,0,0,0|1,0,1]=4 1159 B12R0.206 C=CCNC(=O)C=CCCCCC 1626a_100020586998_100016263427 [0,2,0,0,0,0|2,0,0]=4 1160 B12R0.206 C=CCNC(=O)C=CCCCCC 240690a_100020586998_100016263427 [0,2,0,0,0,0|2,0,0]=4 1161 B12R0.206 CC=CCC(=O)C=CCCCCC 1458a_100016263427_100000070051 [0,2,0,0,0,0|1,0,1]=4 1162 B12R0.206 CCC/C=C/C=CC(=O)CCCC 1458a_200016258893_100000210211 [0,2,0,0,0,0|1,0,1]=4 1163 B12R0.206 CCC=CC(=O)CCCCCCC 1458a_100000212282_100000210614 [0,2,0,0,0,0|1,0,1]=4 1164 B12R0.206 CCC=CC(=O)CCCCCCF 1458a_100000212282_100015922095 [0,2,0,0,0,0|1,0,1]=4 1165 B12R0.206 CCC=CC(=O)CCCCCCO 1458a_100000212282_100000766143 [0,2,0,0,0,0|1,0,1]=4 1166 B12R0.206 CCC=CC(=O)CCOCCCC 1458a_100000212282_100000743108 [0,2,0,0,0,0|1,0,1]=4 1167 B12R0.206 CCC=CC(=O)NCCCCCC 11a_100000210581_100000212282 [0,2,0,0,0,0|1,0,1]=4 1168 B12R0.206 CCC=CC(=O)NCCCCCC 1626a_100000210581_100000212282 [0,2,0,0,0,0|1,0,1]=4 1169 B12R0.206 CCC=CC(=O)NCCCCCC 240690a_100000210581_100000212282 [0,2,0,0,0,0|1,0,1]=4 1170 B12R0.206 CCC=CC(=O)NCCCCCO 240690a_100000762737_100000212282 [0,2,0,0,0,0|2,0,0]=4 1171 B12R0.206 CCC=CC(=O)NCCCOCC 11a_100000210961_100000212282 [0,2,0,0,0,0|2,0,0]=4 1172 B12R0.206 CCC=CC(=O)NCCCOCC 1626a_100000210961_100000212282 [0,2,0,0,0,0|2,0,0]=4 1173 B12R0.206 CCC=CC(=O)NCCCOCC 240690a_100000210961_100000212282 [0,2,0,0,0,0|2,0,0]=4 1174 B12R0.206 CCC=CC(=O)NCCOCCC 1626a_100161115042_100000212282 [0,2,0,0,0,0|2,0,0]=4 1175 B12R0.206 CCC=CC(=O)NCCOCCC 240690a_100161115042_100000212282 [0,2,0,0,0,0|2,0,0]=4 1176 B12R0.206 CCC=CC(=O)NCCSCCC 11a_100020603323_100000212282 [0,2,0,0,0,0|2,0,0]=4 1177 B12R0.206 CCC=CC(=O)NCCSCCC 240690a_100020603323_100000212282 [0,2,0,0,0,0|2,0,0]=4 1178 B12R0.206 CCC=CC(=O)NNCCCCC 22a_100000694160_100000212282 [0,2,0,0,0,0|2,0,0]=4 1179 B12R0.206 CCCCCC=CC(=NNCC)C 4a_100000756455_100016257799 [0,2,0,0,0,0|2,0,0]=4 1180 B12R0.206 CCCCCC=CC(=O)CCC#N 1458a_100016263427_100011215226 [0,2,0,0,0,0|1,0,1]=4 1181 B12R0.206 CCCCCC=CC(=O)CCCC 1458a_100016263427_100000210211 [0,2,0,0,0,0|1,0,1]=4 1182 B12R0.206 CCCCCC=CC(=O)CCCF 1458a_100016263427_100011934791 [0,2,0,0,0,0|1,0,1]=4 1183 B12R0.206 CCCCCC=CC(=O)CCCO 1458a_100016263427_100011215043 [0,2,0,0,0,0|0,0,1]=3 1184 B12R0.206 CCCCCC=CC(=O)CCOC 1458a_100016263427_100000233755 [0,2,0,0,0,0|0,0,1]=3 1185 B12R0.206 CCCCCC=CC(=O)CCSC 1458a_100016263427_100000751147 [0,2,0,0,0,0|0,1,1]=4 1186 B12R0.206 CCCCCC=CC(=O)NCC#N 1626a_100000734998_100016263427 [0,2,0,0,0,0|2,0,0]=4 1187 B12R0.206 CCCCCC=CC(=O)NCCC 11a_100020643023_100016263427 [0,2,0,0,0,0|1,0,1]=4 1188 B12R0.206 CCCCCC=CC(=O)NCCC 1626a_100020643023_100016263427 [0,2,0,0,0,0|1,0,1]=4 1189 B12R0.206 CCCCCC=CC(=O)NCCC 240690a_100020643023_100016263427 [0,2,0,0,0,0|1,0,1]=4 1190 B12R0.206 CCCCCC=CC(=O)NCCF 11a_100000724931_100016263427 [0,2,0,0,0,0|1,0,1]=4 1191 B12R0.206 CCCCCC=CC(=O)NCCF 1626a_100000724931_100016263427 [0,2,0,0,0,0|1,0,1]=4 1192 B12R0.206 CCCCCC=CC(=O)NCCF 240690a_100000724931_100016263427 [0,2,0,0,0,0|1,0,1]=4 1193 B12R0.206 CCCCCC=CC(=O)NCCO 240690a_100000210304_100016263427 [0,2,0,0,0,0|0,0,1]=3 1194 B12R0.206 CCCCCC=CC(=O)NNCC 22a_100000756455_100016263427 [0,2,0,0,0,0|2,0,0]=4 1195 B12R0.234 CC/C=C/C/C=C/CCOC(C)C 34a_200016273837_100000210206 [0,2,0,0,0,0|2,0,0]=4 1196 B12R0.234 CC/C=C/C/C=C/CCOC(C)C 7a_200016273837_100000210206 [0,2,0,0,0,0|2,0,0]=4 1197 B12R0.234 CCC/C=C/C=C/COCC(C)C 34a_100016294078_100000210624 [0,2,0,0,0,0|2,0,0]=4 1198 B12R0.234 CCC/C=C/C=C/COCC(C)O 34a_100016294078_100011218427 [0,2,0,0,0,0|2,0,0]=4 1199 B12R0.234 CCC/C=C/C=C/COC[C@@H](C)O 34a_100016294078_100009817552 [0,2,0,0,0,0|2,0,0]=4 1200 B12R0.234 CCCCC/C=C/COCC(C)O 34a_100016258190_100011218427 [0,2,0,0,0,0|0,0,2]=4 1201 B12R0.234 CCCCC/C=C/COCC(C)O 7a_100016258190_100011218427 [0,2,0,0,0,0|0,0,2]=4 1202 B12R0.234 CCCCC/C=C/COC[C@@H](C)O 34a_100016258190_100009817552 [0,2,0,0,0,0|0,0,2]=4 1203 B12R0.234 CCCCC/C=C/COC[C@@H](C)O 7a_100016258190_100009817552 [0,2,0,0,0,0|0,0,2]=4 1204 B12R0.234 CCCCCC=CC=NNC(C)C 4a_100000741168_100016268540 [0,2,0,0,0,0|2,0,0]=4 1205 B12R0.248 CCC/C=C/C=C/COC(C)CC 34a_100016294078_100011215416 [0,2,0,0,0,0|2,0,0]=4 1206 B12R0.248 CCCCC/C=C/CCC(=O)CC 1458a_200015255902_100000210202 [0,2,0,0,0,0|1,0,1]=4 1207 B12R0.248 CCCCC/C=C/CCC(=O)CF 1458a_200015255902_100015361967 [0,2,0,0,0,0|1,0,1]=4 1208 B12R0.248 CCCCC/C=C/COC(C)CO 34a_100016258190_100012180447 [0,2,0,0,0,0|0,0,2]=4 1209 B12R0.248 CCCCC/C=C/COC(C)CO 7a_100016258190_100012180447 [0,2,0,0,0,0|0,0,2]=4 1210 B12R0.248 CCCCCC/C=C/CC(=O)CC 1458a_100020681715_100000210202 [0,2,0,0,0,0|1,0,1]=4 1211 B12R0.248 CCCCCC/C=C/CC(=O)CF 1458a_100020681715_100015361967 [0,2,0,0,0,0|1,0,1]=4 1212 B12R0.248 CCCCCCCC=CC(=O)CC 1458a_200015332781_100000210202 [0,2,0,0,0,0|1,0,1]=4 1213 B12R0.248 CCCCCCCC=CC(=O)CF 1458a_200015332781_100015361967 [0,2,0,0,0,0|1,0,1]=4 1214 B12R0.4 CCCCCC=CC(=O)CC(C)C 1458a_100016263427_100000210624 [0,2,0,0,0,0|1,0,1]=4 1215 B12R0.4 CCCCCC=CC(=O)CC(C)O 1458a_100016263427_100011218427 [0,2,0,0,0,0|0,0,1]=3 1216 B12R0.4 CCCCCC=CC(=O)CC(F)F 1458a_100016263427_100011934356 [0,2,0,0,0,0|1,0,1]=4 1217 B12R0.4 CCCCCC=CC(=O)NC(C)C 11a_100138425928_100016263427 [0,2,0,0,0,0|2,0,0]=4 1218 B12R0.4 CCCCCC=CC(=O)NC(C)C 1626a_100138425928_100016263427 [0,2,0,0,0,0|2,0,0]=4 1219 B12R0.4 CCCCCC=CC(=O)NC(C)C 240690a_100138425928_100016263427 [0,2,0,0,0,0|2,0,0]=4 1220 B12R0.49 C=C(CO)C(=O)NNCCCCC 22a_100000694160_200000705526 [0,2,0,0,0,0|2,0,0]=4 1221 B12R0.49 CCCCCC=CC(=O)C(C)CC 1458a_100016263427_100000758301 [0,2,0,0,0,0|1,0,1]=4 1222 B12R0.49 CCCCCC=CC(=O)N(C)CC 11a_100000225621_100016263427 [0,2,0,0,0,0|2,0,0]=4 1223 B12R0.49 CCCCCC=CC(=O)N(C)CC 1626a_100000225621_100016263427 [0,2,0,0,0,0|2,0,0]=4 1224 B12R0.49 CCCCCC=CC(=O)N(C)CC 240690a_100000225621_100016263427 [0,2,0,0,0,0|2,0,0]=4 1225 B12R0.114 CC/C=C(\C)/C(=O)CCCCCC 1458a_100016988807_100000210757 [0,2,0,0,0,0|1,0,1]=4 1226 B12R0.114 CC/C=C(\C)/C(=O)NCCCCC 11a_100000209983_100016988807 [0,2,0,0,0,0|2,0,0]=4 1227 B12R0.114 CC/C=C(\C)/C(=O)NCCCCC 1626a_100000209983_100016988807 [0,2,0,0,0,0|2,0,0]=4 1228 B12R0.114 CC/C=C(\C)/C(=O)NCCCCC 240690a_100000209983_100016988807 [0,2,0,0,0,0|2,0,0]=4 1229 B12R0.114 CC/C=C(\C)/C(=O)NCCCCC 527a_100000209983_100016988807 [0,2,0,0,0,0|2,0,0]=4 1230 B12R0.239 C/C=C/C=CC(=O)CC(C)CCC 1458a_100000185730_100011216630 [0,2,0,0,0,0|1,0,1]=4 1231 B12R0.239 CC/C=C/CC(=O)CC(C)CCC 1458a_100016274230_100011216630 [0,2,0,0,0,0|1,0,1]=4 1232 B12R0.239 CC/C=C\CC(=O)CC(C)CCC 1458a_100000748435_100103147603 [0,2,0,0,0,0|1,0,1]=4 1233 B12R0.239 CCCC(C)CC(=O)C=COCC 1458a_100016266692_100011216630 [0,2,0,0,0,0|2,0,0]=4 1234 B12R0.239 CCCC=CC(=O)CC(C)CCC 1458a_100000212230_100011216630 [0,2,0,0,0,0|1,0,1]=4 1235 B12R0.239 CCCCCC(=O)C=C(C)CCC 1458a_100020676950_100000210326 [0,2,0,0,0,0|1,0,1]=4 1236 B12R0.239 CCCCCC(=O)CC(=O)CCO 1458a_100011216618_200012276598 [0,2,0,0,0,0|0,0,2]=4 1237 B12R0.239 CCCCCC(=O)CC(=O)NCO 1458a_100000212188_100000185155 [0,2,0,0,0,0|1,0,1]=4 1238 B12R0.102 CCC=CC(=O)NCCC(C)CC 11a_100020591266_100000212282 [0,2,0,0,0,0|2,0,0]=4 1239 B12R0.102 CCC=CC(=O)NCCC(C)CC 1626a_100020591266_100000212282 [0,2,0,0,0,0|2,0,0]=4 1240 B12R0.102 CCC=CC(=O)NCCC(C)CC 240690a_100020591266_100000212282 [0,2,0,0,0,0|2,0,0]=4 1241 B12R0.113 CCCCCCC(=O)C=C(C)CC 1458a_100020758463_100000210757 [0,2,0,0,0,0|1,0,1]=4 1242 B12R0.113 CCCCCNC(=O)C=C(C)CC 11a_100000209983_100020758463 [0,2,0,0,0,0|2,0,0]=4 1243 B12R0.113 CCCCCNC(=O)C=C(C)CC 1626a_100000209983_100020758463 [0,2,0,0,0,0|2,0,0]=4 1244 B12R0.113 CCCCCNC(=O)C=C(C)CC 240690a_100000209983_100020758463 [0,2,0,0,0,0|2,0,0]=4 1245 B12R0.113 CCCCCNC(=O)CC(=O)CO 1458a_100000210174_100000230301 [0,2,0,0,0,0|1,0,1]=4 1246 B12R0.142 CC/C=C\CC(=O)CCC(C)CC 1458a_100000701222_100103147603 [0,2,0,0,0,0|1,0,1]=4 1247 B12R0.142 CC=C(C)C=CC(=O)CCCCC 1458a_100000692105_100000210326 [0,2,0,0,0,0|1,0,1]=4 1248 B12R0.142 CCCCCC(=O)C=CC(=O)NC 1458a_100016259477_100000210326 [0,2,0,0,0,0|2,0,0]=4 1249 B12R0.142 CCCCCC(=O)NN=C(C)CO 4a_100000189784_100000211253 [0,2,0,0,0,0|2,0,0]=4 1250 B12R0.142 CCCCCC(=O)NNC(=O)CO 22a_100000189784_100000210174 [0,2,0,0,0,0|2,0,0]=4 1251 B12R0.251 CCCCC/C=C/CC(=O)C(C)C 1458a_100020675968_100000210206 [0,2,0,0,0,0|1,0,1]=4 1252 B12R0.251 CCCCCCC=CC(=O)C(C)C 1458a_200015324643_100000210206 [0,2,0,0,0,0|1,0,1]=4 1253 B12R0.95 CCC=CC(=O)CCCCC(C)C 1458a_100000212282_100011216152 [0,2,0,0,0,0|1,0,1]=4 1254 B12R0.95 CCC=CC(=O)NCCCC(C)C 11a_200000737386_100000212282 [0,2,0,0,0,0|2,0,0]=4 1255 B12R0.95 CCC=CC(=O)NCCCC(C)C 1626a_200000737386_100000212282 [0,2,0,0,0,0|2,0,0]=4 1256 B12R0.95 CCC=CC(=O)NCCCC(C)C 240690a_200000737386_100000212282 [0,2,0,0,0,0|2,0,0]=4 1257 B12R0.103 CCC=CC(=O)NC(C)CCCC 11a_100000126638_100000212282 [0,2,0,0,0,0|2,0,0]=4 1258 B12R0.103 CCC=CC(=O)NC(C)CCCC 1626a_100000126638_100000212282 [0,2,0,0,0,0|2,0,0]=4 1259 B12R0.103 CCC=CC(=O)NC(C)CCCC 240690a_100000126638_100000212282 [0,2,0,0,0,0|2,0,0]=4 1260 B12R0.255 CCCCCCC(=O)C=CC(C)C 1458a_100016268746_100000210757 [0,2,0,0,0,0|1,0,1]=4 1261 B12R0.255 CCCCCNC(=O)C=CC(C)C 11a_100000209983_100016268746 [0,2,0,0,0,0|2,0,0]=4 1262 B12R0.255 CCCCCNC(=O)C=CC(C)C 1626a_100000209983_100016268746 [0,2,0,0,0,0|2,0,0]=4 1263 B12R0.255 CCCCCNC(=O)C=CC(C)C 240690a_100000209983_100016268746 [0,2,0,0,0,0|2,0,0]=4 1264 B12R0.648 C/C=C/C=CC(=O)C(C)CCCC 1458a_100000185730_200011215066 [0,2,0,0,0,0|1,0,1]=4 1265 B12R0.648 CC/C=C/CC(=O)C(C)CCCC 1458a_100016274230_200011215066 [0,2,0,0,0,0|1,0,1]=4 1266 B12R0.648 CC/C=C\CC(=O)C(C)CCCC 1458a_100000725509_100103147603 [0,2,0,0,0,0|1,0,1]=4 1267 B12R0.648 CC/C=C\CC(=O)C(O)CCCC 1458a_100000720857_100103147603 [0,2,0,0,0,0|1,0,1]=4 1268 B12R0.648 CCC/C=C(\C)/C(=O)CCCCC 1458a_200020648666_100000210326 [0,2,0,0,0,0|1,0,1]=4 1269 B12R0.648 CCC=CC(=O)C(C)CCCCC 1458a_100000212282_200011218191 [0,2,0,0,0,0|1,0,1]=4 1270 B12R0.648 CCC=CC(=O)N(C)CCCCC 11a_100000223495_100000212282 [0,2,0,0,0,0|2,0,0]=4 1271 B12R0.648 CCC=CC(=O)N(C)CCCCC 1626a_100000223495_100000212282 [0,2,0,0,0,0|2,0,0]=4 1272 B12R0.648 CCC=CC(=O)N(C)CCCCC 240690a_100000223495_100000212282 [0,2,0,0,0,0|2,0,0]=4 1273 B12R0.648 CCCC=CC(=O)C(C)CCCC 1458a_100000212230_200011215066 [0,2,0,0,0,0|1,0,1]=4 1274 B12R0.648 CCCCC(C)C(=O)C=COCC 1458a_100016266692_200011215066 [0,2,0,0,0,0|2,0,0]=4 1275 B12R0.233 C/C=C/C=CC(=O)CCCC(C)C 1458a_100000185730_100011214892 [0,2,0,0,0,0|1,0,1]=4 1276 B12R0.233 C/C=C/C=CC(=O)CCCC(C)O 1458a_100000185730_200000718107 [0,2,0,0,0,0|1,0,1]=4 1277 B12R0.233 CC/C=C/CC(=O)CCCC(C)C 1458a_100016274230_100011214892 [0,2,0,0,0,0|1,0,1]=4 1278 B12R0.233 CC/C=C/CC(=O)CCCC(C)O 1458a_100016274230_200000718107 [0,2,0,0,0,0|1,0,1]=4 1279 B12R0.233 CC/C=C\CC(=O)CCCC(C)C 1458a_100011216857_100103147603 [0,2,0,0,0,0|1,0,1]=4 1280 B12R0.233 CCCC=CC(=O)CCCC(C)C 1458a_100000212230_100011214892 [0,2,0,0,0,0|1,0,1]=4 1281 B12R0.233 CCCC=CC(=O)CCCC(C)O 1458a_100000212230_200000718107 [0,2,0,0,0,0|1,0,1]=4 1282 B12R0.233 CCCCCC(=O)C/C=C/B(O)O 1458a_100000212188_100016262062 [0,2,0,0,0,0|1,0,1]=4 1283 B12R0.233 CCCCCC(=O)C/C=C/C(C)C 1458a_100016292215_100000210326 [0,2,0,0,0,0|1,0,1]=4 1284 B12R0.233 CCOC=CC(=O)CCCC(C)C 1458a_100016266692_100011214892 [0,2,0,0,0,0|2,0,0]=4 1285 B12R0.233 CCOC=CC(=O)CCCC(C)O 1458a_100016266692_200000718107 [0,2,0,0,0,0|2,0,0]=4 1286 B10R1.17 CCCCc1ccccc1 271570a_100020621405_100000210277 [1,0,0,1,0,0|0,0,2]=4 1287 B10R1.17 CCCCc1ccccn1 271570a_100020621405_100011216584 [1,0,0,1,0,0|1,0,1]=4 1288 B10R1.17 CCCCc1cccnc1 271570a_100020621405_100000752921 [1,0,0,1,0,0|2,0,0]=4 1289 B10R1.17 CCCCc1cccnn1 271570a_100020621405_100016991348 [1,0,0,1,0,0|2,0,0]=4 1290 B10R1.21 C/C=C/CNC1CCCC1 34a_100000211070_100102629194 [1,0,0,1,0,0|1,0,1]=4 1291 B10R1.21 C/C=C/COC1CCCC1 34a_100000210269_100102629194 [1,0,0,1,0,0|1,0,1]=4 1292 B10R1.21 C/C=C/COC1CCCC1 34a_100016270725_100000179811 [1,0,0,1,0,0|1,0,1]=4 1293 B10R1.21 C/C=C/COC1CCCC1 7a_100000210269_100102629194 [1,0,0,1,0,0|1,0,1]=4 1294 B10R1.21 C/C=C/CSC1CCCC1 62a_100011217020_100102629194 [1,0,0,1,0,0|1,0,1]=4 1295 B10R1.21 C/C=C/CSC1CCCC1 62a_100102629194_100000179811 [1,0,0,1,0,0|1,0,1]=4 1296 B10R1.21 CC=CCNC1CCCC1 2230a_100000211070_100000070051 [1,0,0,1,0,0|1,0,1]=4 1297 B10R1.21 CC=CCNC1CCCC1 34a_100000211070_100000070051 [1,0,0,1,0,0|1,0,1]=4 1298 B10R1.21 CC=CCOC1CCCC1 34a_100000210269_100000070051 [1,0,0,1,0,0|1,0,1]=4 1299 B10R1.21 CC=CCOC1CCCC1 7a_100000210269_100000070051 [1,0,0,1,0,0|1,0,1]=4 1300 B10R1.21 CC=CCSC1CCCC1 62a_100000070051_100000179811 [1,0,0,1,0,0|1,0,1]=4 1301 B10R1.21 CC=CCSC1CCCC1 62a_100011217020_100000070051 [1,0,0,1,0,0|1,0,1]=4 1302 B10R1.21 CCCC=Cc1ccco1 271570a_100016258520_100009814098 [1,0,0,1,0,0|0,0,2]=4 1303 B10R1.21 CCCCCN1CC=CC1 269982a_100015195280_100000210215 [1,0,0,1,0,0|1,0,1]=4 1304 B10R1.21 CCCCSc1ccco1 62a_100000210211_100009814098 [1,0,0,1,0,0|1,0,0]=3 1305 B10R1.21 CCCCSc1ccco1 62a_100009814098_100000210210 [1,0,0,1,0,0|1,0,0]=3 1306 B10R1.21 CCCCSc1cccs1 62a_100000210211_100011215356 [1,0,0,1,0,0|1,1,0]=4 1307 B10R1.21 CCCCSc1cccs1 62a_100011215356_100000210210 [1,0,0,1,0,0|1,1,0]=4 1308 B10R1.21 CCCCSc1cnco1 62a_100000210211_100020591547 [1,0,0,1,0,0|2,0,0]=4 1309 B10R1.21 CCCCSc1cnco1 62a_100020591547_100000210210 [1,0,0,1,0,0|2,0,0]=4 1310 B10R1.21 CCCCSc1ncco1 62a_100000210211_100011787736 [1,0,0,1,0,0|2,0,0]=4 1311 B10R1.21 CCCCSc1ncco1 62a_100011787736_100000210210 [1,0,0,1,0,0|2,0,0]=4 1312 B10R1.21 CCCNCc1ccco1 207a_100020643023_100000186105 [1,0,0,1,0,0|1,0,0]=3 1313 B10R1.21 CCCNCc1ccco1 2230a_100000185738_100000210303 [1,0,0,1,0,0|1,0,0]=3 1314 B10R1.21 CCCNCc1ccco1 270004a_100020643023_100000186105 [1,0,0,1,0,0|1,0,0]=3 1315 B10R1.21 CCCNCc1ccco1 34a_100000185738_100000210303 [1,0,0,1,0,0|1,0,0]=3 1316 B10R1.21 CCCNCc1cccs1 207a_100020643023_100000209959 [1,0,0,1,0,0|1,1,0]=4 1317 B10R1.21 CCCNCc1cccs1 2230a_100000211653_100000210303 [1,0,0,1,0,0|1,1,0]=4 1318 B10R1.21 CCCNCc1cccs1 270004a_100020643023_100000209959 [1,0,0,1,0,0|1,1,0]=4 1319 B10R1.21 CCCNCc1cnco1 270004a_100020643023_100000064291 [1,0,0,1,0,0|2,0,0]=4 1320 B10R1.21 CCCNCc1ncco1 2230a_100016994969_100000210303 [1,0,0,1,0,0|2,0,0]=4 1321 B10R1.21 CCCNCc1ncco1 270004a_100020643023_100000064290 [1,0,0,1,0,0|2,0,0]=4 1322 B10R1.21 CCCOCc1ccco1 34a_100000210059_100000210303 [1,0,0,1,0,0|1,0,0]=3 1323 B10R1.21 CCCOCc1cccs1 34a_100000211240_100000210303 [1,0,0,1,0,0|1,1,0]=4 1324 B10R1.21 CCCOCc1ccno1 34a_100000740478_100000210303 [1,0,0,1,0,0|2,0,0]=4 1325 B10R1.21 CCCOCc1ncco1 34a_100000062594_100000210303 [1,0,0,1,0,0|2,0,0]=4 1326 B10R1.21 CCCOCc1ncco1 34a_100000210258_103436540062 [1,0,0,1,0,0|2,0,0]=4 1327 B10R1.21 CCCSCc1ncco1 62a_100000210303_103436540062 [1,0,0,1,0,0|2,0,0]=4 1328 B10R1.21 CCCSCc1ncco1 62a_103436540062_100000210303 [1,0,0,1,0,0|2,0,0]=4 1329 B10R1.21 CCNCCc1ccco1 2230a_100000694680_100000210202 [1,0,0,1,0,0|1,0,0]=3 1330 B10R1.21 CCNCCc1ccco1 34a_100000694680_100000210202 [1,0,0,1,0,0|1,0,0]=3 1331 B10R1.21 CCNCCc1cccs1 2230a_100000203755_100000210202 [1,0,0,1,0,0|1,1,0]=4 1332 B10R1.21 CCNCCc1cccs1 2230a_100015525214_100000748579 [1,0,0,1,0,0|1,1,0]=4 1333 B10R1.21 CCNCCc1cccs1 34a_100000203755_100000210202 [1,0,0,1,0,0|1,1,0]=4 1334 B10R1.21 CCOCCc1cccs1 34a_100011216825_100000210202 [1,0,0,1,0,0|1,1,0]=4 1335 B10R1.21 CCOCCc1cccs1 34a_100121572206_100000748579 [1,0,0,1,0,0|1,1,0]=4 1336 B10R1.21 CCOCCc1cccs1 7a_100011216825_100000210202 [1,0,0,1,0,0|1,1,0]=4 1337 B10R1.21 CCOCSc1ccco1 62a_100000739092_100009814098 [1,0,0,1,0,0|2,0,0]=4 1338 B10R1.21 CCOCSc1ccco1 62a_100009814098_100000739092 [1,0,0,1,0,0|2,0,0]=4 1339 B10R1.21 CCSCCc1cccs1 62a_100000210202_100000748579 [1,0,0,1,0,0|1,1,0]=4 1340 B10R1.21 CCSCCc1cccs1 62a_100000748579_100000210202 [1,0,0,1,0,0|1,1,0]=4 1341 B10R1.21 CNCCCc1cccs1 2230a_106832991635_100010992444 [1,0,0,1,0,0|1,1,0]=4 1342 B10R1.21 CNCCCc1cccs1 34a_100102657272_100010992444 [1,0,0,1,0,0|1,1,0]=4 1343 B10R1.21 CNCCCc1cccs1 7a_106832991635_100010992444 [1,0,0,1,0,0|1,1,0]=4 1344 B10R1.21 COCCCc1cccs1 34a_100011713143_200000210301 [1,0,0,1,0,0|1,1,0]=4 1345 B10R1.21 COCCCc1cccs1 34a_100138415774_100010992444 [1,0,0,1,0,0|1,1,0]=4 1346 B10R1.21 COCCCc1cccs1 7a_100011713143_200000210301 [1,0,0,1,0,0|1,1,0]=4 1347 B10R1.21 COCCSc1ccco1 62a_100000233755_100009814098 [1,0,0,1,0,0|2,0,0]=4 1348 B10R1.21 COCCSc1ccco1 62a_100009814098_100000233755 [1,0,0,1,0,0|2,0,0]=4 1349 B10R1.21 COCNCc1ccco1 2230a_100000185738_100000766300 [1,0,0,1,0,0|2,0,0]=4 1350 B10R1.21 CSCCCc1cccs1 62a_100010992444_200000210301 [1,0,0,1,0,0|1,1,0]=4 1351 B10R1.21 CSCCCc1cccs1 62a_200000210301_100010992444 [1,0,0,1,0,0|1,1,0]=4 1352 B10R1.21 CSCCSc1ccco1 62a_100000212216_100009814098 [1,0,0,1,0,0|2,0,0]=4 1353 B10R1.21 CSCCSc1ccco1 62a_100009814098_100000751147 [1,0,0,1,0,0|2,0,0]=4 1354 B10R1.21 CSCNCc1ccco1 2230a_100000185738_100011218213 [1,0,0,1,0,0|2,0,0]=4 1355 B10R1.21 CSCNCc1ccco1 34a_100000185738_100011218213 [1,0,0,1,0,0|2,0,0]=4 1356 B10R1.21 CSCOCc1ccco1 34a_100000210059_100011218213 [1,0,0,1,0,0|2,0,0]=4 1357 B10R1.21 FCCCSc1ccco1 62a_100009814098_100011934791 [1,0,0,1,0,0|2,0,0]=4 1358 B10R1.21 FCCCSc1ccco1 62a_100011934791_100009814098 [1,0,0,1,0,0|2,0,0]=4 1359 B10R1.21 FCCNCc1ccco1 2230a_100000185738_100011217306 [1,0,0,1,0,0|2,0,0]=4 1360 B10R1.21 FCCNCc1ccco1 34a_100000185738_100011217306 [1,0,0,1,0,0|2,0,0]=4 1361 B10R1.21 FCCOCc1ccco1 34a_100000210059_100011217306 [1,0,0,1,0,0|2,0,0]=4 1362 B10R1.21 FCNCCc1ccco1 34a_100000694680_100015361967 [1,0,0,1,0,0|2,0,0]=4 1363 B10R1.21 OCCCSc1ccco1 62a_100009814098_100011215043 [1,0,0,1,0,0|2,0,0]=4 1364 B10R1.21 OCCCSc1ccco1 62a_100011215043_100009814098 [1,0,0,1,0,0|2,0,0]=4 1365 B10R1.21 OCCNCc1ccco1 207a_100000210304_100000186105 [1,0,0,1,0,0|2,0,0]=4 1366 B10R1.21 OCCNCc1ccco1 2230a_100000185738_100000211926 [1,0,0,1,0,0|2,0,0]=4 1367 B10R1.21 OCCNCc1ccco1 270004a_100000210304_100000186105 [1,0,0,1,0,0|2,0,0]=4 1368 B10R1.21 OCCNCc1ccco1 34a_100000185738_100000211926 [1,0,0,1,0,0|2,0,0]=4 1369 B10R1.21 OCCOCc1ccco1 34a_100000210059_100000211926 [1,0,0,1,0,0|2,0,0]=4 1370 B10R1.21 [13CH3]OCCCc1cccs1 34a_100011713143_200025704644 [1,0,0,1,0,0|1,1,0]=4 1371 B10R1.21 [13CH3]OCCCc1cccs1 7a_100011713143_200025704644 [1,0,0,1,0,0|1,1,0]=4 1372 B10R1.21 [13CH3]SCCCc1cccs1 62a_100010992444_200025704644 [1,0,0,1,0,0|1,1,0]=4 1373 B10R1.21 [13CH3]SCCCc1cccs1 62a_200025704644_100010992444 [1,0,0,1,0,0|1,1,0]=4 1374 B10R1.29 C/C=C/CN1CCC[C@@H]1C 269982a_100020605311_100102629194 [1,0,0,1,0,0|1,0,1]=4 1375 B10R1.29 C/C=C/CN1CCC[C@H]1C 269982a_100015189458_100102629194 [1,0,0,1,0,0|1,0,1]=4 1376 B10R1.29 C/C=C/CN1CCC[C@H]1C 34a_100015189458_100102629194 [1,0,0,1,0,0|1,0,1]=4 1377 B10R1.29 CC=CCN1CCC[C@@H]1C 2230a_100020605311_100000070051 [1,0,0,1,0,0|1,0,1]=4 1378 B10R1.29 CC=CCN1CCC[C@H]1C 2230a_100015189458_100000070051 [1,0,0,1,0,0|1,0,1]=4 1379 B10R1.29 CC=CCN1CCC[C@H]1C 34a_100015189458_100000070051 [1,0,0,1,0,0|1,0,1]=4 1380 B10R1.29 CCCCC1C=CCN1C 2230a_100015184376_200000210301 [1,0,0,1,0,0|1,0,1]=4 1381 B10R1.29 CCCCC1C=CCN1C 269982a_100015184376_200000210301 [1,0,0,1,0,0|1,0,1]=4 1382 B10R1.29 CCCCC1C=CCN1C 34a_100015184376_200000210301 [1,0,0,1,0,0|1,0,1]=4 1383 B10R1.29 CCCCC1C=CCN1[13CH3] 2230a_100015184376_200025704644 [1,0,0,1,0,0|1,0,1]=4 1384 B10R1.29 CCCCC1C=CCN1[13CH3] 269982a_100015184376_200025704644 [1,0,0,1,0,0|1,0,1]=4 1385 B10R1.29 CCCCC1C=CCN1[13CH3] 34a_100015184376_200025704644 [1,0,0,1,0,0|1,0,1]=4 1386 B10R1.29 CCCCc1ccsc1C 271570a_100020621405_100000684487 [1,0,0,1,0,0|1,0,1]=4 1387 B10R1.29 CCCCc1ccsc1O 271570a_203496583355_100010071534 [1,0,0,1,0,0|1,0,1]=4 1388 B10R1.29 CCCCc1cscc1C 271570a_100020621405_100000759966 [1,0,0,1,0,0|1,0,1]=4 1389 B10R1.29 CCCCc1sccc1C 271570a_100020621405_100000742657 [1,0,0,1,0,0|1,0,1]=4 1390 B10R1.29 CCCCn1nccc1O 271570a_203496583355_200010264484 [1,0,0,1,0,0|2,0,0]=4 1391 B10R1.56 C/C=C/COCC1CC1C 34a_100000744939_100102629194 [1,0,0,1,0,0|1,0,1]=4 1392 B10R1.56 C/C=C/COCC1CC1C 7a_100000744939_100102629194 [1,0,0,1,0,0|1,0,1]=4 1393 B10R1.56 CC=CCOCC1CC1C 34a_100000744939_100000070051 [1,0,0,1,0,0|1,0,1]=4 1394 B10R1.56 CC=CCOCC1CC1C 7a_100000744939_100000070051 [1,0,0,1,0,0|1,0,1]=4 1395 B10R1.57 C/C=C/CNCC1CCC1 34a_100000738700_100102629194 [1,0,0,1,0,0|1,0,1]=4 1396 B10R1.57 C/C=C/COCC1CCC1 34a_100000760304_100102629194 [1,0,0,1,0,0|1,0,1]=4 1397 B10R1.57 C/C=C/COCC1CCC1 34a_100016270725_100000763275 [1,0,0,1,0,0|1,0,1]=4 1398 B10R1.57 C/C=C/CSCC1CCC1 62a_100000763275_100102629194 [1,0,0,1,0,0|1,0,1]=4 1399 B10R1.57 C/C=C/CSCC1CCC1 62a_100102629194_100000763275 [1,0,0,1,0,0|1,0,1]=4 1400 B10R1.57 CC=CCNCC1CCC1 2230a_100000738700_100000070051 [1,0,0,1,0,0|1,0,1]=4 1401 B10R1.57 CC=CCNCC1CCC1 34a_100000738700_100000070051 [1,0,0,1,0,0|1,0,1]=4 1402 B10R1.57 CC=CCOCC1CCC1 34a_100000760304_100000070051 [1,0,0,1,0,0|1,0,1]=4 1403 B10R1.57 CC=CCSCC1CCC1 62a_100000070051_100000763275 [1,0,0,1,0,0|1,0,1]=4 1404 B10R1.57 CC=CCSCC1CCC1 62a_100000763275_100000070051 [1,0,0,1,0,0|1,0,1]=4 1405 B10R1.161 COC1C=CCCCCC1 34a_100000688657_200000210301 [1,0,0,1,0,0|1,0,1]=4 1406 B10R1.161 [13CH3]OC1C=CCCCCC1 34a_100000688657_200025704644 [1,0,0,1,0,0|1,0,1]=4 1407 B10R1.177 C/C=C/C=C/COC1CC1 34a_100016283227_100000211595 [1,0,0,1,0,0|1,0,0]=3 1408 B10R1.177 C/C=C/CNCCC1CC1 34a_100000764129_100102629194 [1,0,0,1,0,0|1,0,1]=4 1409 B10R1.177 C/C=C/COCCC1CC1 34a_100000754188_100102629194 [1,0,0,1,0,0|1,0,1]=4 1410 B10R1.177 C/C=C/COCCC1CC1 34a_100016270725_100000694398 [1,0,0,1,0,0|1,0,1]=4 1411 B10R1.177 C/C=C/COCCC1CC1 7a_100000754188_100102629194 [1,0,0,1,0,0|1,0,1]=4 1412 B10R1.177 C/C=C/CSCCC1CC1 62a_100000764125_100102629194 [1,0,0,1,0,0|1,0,1]=4 1413 B10R1.177 C/C=C/CSCCC1CC1 62a_100102629194_100000764125 [1,0,0,1,0,0|1,0,1]=4 1414 B10R1.177 CC=CCNCCC1CC1 34a_100000764129_100000070051 [1,0,0,1,0,0|1,0,1]=4 1415 B10R1.177 CC=CCOCCC1CC1 34a_100000754188_100000070051 [1,0,0,1,0,0|1,0,1]=4 1416 B10R1.177 CC=CCOCCC1CC1 7a_100000754188_100000070051 [1,0,0,1,0,0|1,0,1]=4 1417 B10R1.177 CC=CCSCCC1CC1 62a_100000070051_100000764125 [1,0,0,1,0,0|1,0,1]=4 1418 B10R1.177 CC=CCSCCC1CC1 62a_100000764125_100000070051 [1,0,0,1,0,0|1,0,1]=4 1419 B12R1.8 CCCCCNc1ccccc1 34a_100000106764_100000718602 [0,1,0,1,0,0|1,0,1]=4 1420 B12R1.8 CCCCCNc1cccnn1 27a_100000209983_100016991348 [0,1,0,1,0,0|2,0,0]=4 1421 B12R1.8 CCCCCOc1ccccc1 34a_100000210340_100000718602 [0,1,0,1,0,0|1,0,1]=4 1422 B12R1.8 CCCCCOc1ccccc1 7a_100000210340_100000210326 [0,1,0,1,0,0|1,0,1]=4 1423 B12R1.8 CCCCCOc1cccnc1 34a_100000210849_100000718602 [0,1,0,1,0,0|2,0,0]=4 1424 B12R1.8 CCCCCOc1cccnc1 7a_100000210849_100000210326 [0,1,0,1,0,0|2,0,0]=4 1425 B12R1.8 CCCCCSc1ccccc1 62a_100000210326_100000041952 [0,1,0,1,0,0|1,0,1]=4 1426 B12R1.8 CCCCCSc1ccccc1 62a_100000719477_100000210326 [0,1,0,1,0,0|1,0,1]=4 1427 B12R1.8 CCCCCSc1ccccn1 62a_100000210326_100011216584 [0,1,0,1,0,0|1,0,1]=4 1428 B12R1.8 CCCCCSc1ccccn1 62a_100011216584_100000210326 [0,1,0,1,0,0|1,0,1]=4 1429 B12R1.8 CCCCCSc1cccnc1 62a_100000210063_100000210326 [0,1,0,1,0,0|2,0,0]=4 1430 B12R1.8 CCCCCSc1cccnc1 62a_100000210326_100000210063 [0,1,0,1,0,0|2,0,0]=4 1431 B12R1.8 CCCCCSc1cccnn1 62a_100000210326_100016991348 [0,1,0,1,0,0|2,0,0]=4 1432 B12R1.8 CCCCCSc1cccnn1 62a_100016991348_100000210326 [0,1,0,1,0,0|2,0,0]=4 1433 B12R1.8 CCCCNCc1ccccc1 207a_100000102301_100015611070 [0,1,0,1,0,0|1,0,1]=4 1434 B12R1.8 CCCCNCc1ccccc1 2230a_100000102301_100015291786 [0,1,0,1,0,0|1,0,1]=4 1435 B12R1.8 CCCCNCc1ccccc1 2230a_100015324214_100000210211 [0,1,0,1,0,0|1,0,1]=4 1436 B12R1.8 CCCCNCc1ccccc1 270004a_100000102301_100015611070 [0,1,0,1,0,0|1,0,1]=4 1437 B12R1.8 CCCCNCc1ccccc1 34a_100015324214_100000210210 [0,1,0,1,0,0|1,0,1]=4 1438 B12R1.8 CCCCNCc1ccccc1 7a_106832991798_100000211182 [0,1,0,1,0,0|1,0,1]=4 1439 B12R1.8 CCCCNCc1ccccn1 207a_100000102301_100000209966 [0,1,0,1,0,0|1,0,1]=4 1440 B12R1.8 CCCCNCc1ccccn1 2230a_100000102301_100000721315 [0,1,0,1,0,0|1,0,1]=4 1441 B12R1.8 CCCCNCc1ccccn1 270004a_100000102301_100000209966 [0,1,0,1,0,0|1,0,1]=4 1442 B12R1.8 CCCCNCc1ccccn1 7a_106832991798_100000721315 [0,1,0,1,0,0|1,0,1]=4 1443 B12R1.8 CCCCNCc1cccnc1 207a_100000102301_100000209961 [0,1,0,1,0,0|2,0,0]=4 1444 B12R1.8 CCCCNCc1cccnc1 2230a_100000102301_100000741622 [0,1,0,1,0,0|2,0,0]=4 1445 B12R1.8 CCCCNCc1cccnc1 270004a_100000102301_100000209961 [0,1,0,1,0,0|2,0,0]=4 1446 B12R1.8 CCCCNCc1cccnc1 7a_106832991798_100000741622 [0,1,0,1,0,0|2,0,0]=4 1447 B12R1.8 CCCCNCc1cccnn1 2230a_100000102301_100016990269 [0,1,0,1,0,0|2,0,0]=4 1448 B12R1.8 CCCCNCc1cccnn1 2230a_100159270163_100000210211 [0,1,0,1,0,0|2,0,0]=4 1449 B12R1.8 CCCCNCc1cccnn1 7a_106832991798_100016990269 [0,1,0,1,0,0|2,0,0]=4 1450 B12R1.8 CCCCOCc1ccccc1 34a_100000210227_100015291786 [0,1,0,1,0,0|1,0,1]=4 1451 B12R1.8 CCCCOCc1ccccc1 34a_100000210790_100000210210 [0,1,0,1,0,0|1,0,1]=4 1452 B12R1.8 CCCCOCc1ccccc1 7a_100000210227_100000211182 [0,1,0,1,0,0|1,0,1]=4 1453 B12R1.8 CCCCOCc1ccccc1 7a_100000210790_100000210211 [0,1,0,1,0,0|1,0,1]=4 1454 B12R1.8 CCCCOCc1ccccn1 34a_100000210227_100000721315 [0,1,0,1,0,0|1,0,1]=4 1455 B12R1.8 CCCCOCc1ccccn1 7a_100000210227_100000721315 [0,1,0,1,0,0|1,0,1]=4 1456 B12R1.8 CCCCOCc1cccnc1 34a_100000210227_100000733263 [0,1,0,1,0,0|2,0,0]=4 1457 B12R1.8 CCCCOCc1cccnc1 7a_100000210227_100000741622 [0,1,0,1,0,0|2,0,0]=4 1458 B12R1.8 CCCCOCc1cccnn1 34a_100000210227_100016990269 [0,1,0,1,0,0|2,0,0]=4 1459 B12R1.8 CCCCOCc1cccnn1 7a_100000210227_100016990269 [0,1,0,1,0,0|2,0,0]=4 1460 B12R1.8 CCCCSCc1ccccc1 62a_100000210211_100015291786 [0,1,0,1,0,0|1,0,1]=4 1461 B12R1.8 CCCCSCc1ccccc1 62a_100000211182_100000210210 [0,1,0,1,0,0|1,0,1]=4 1462 B12R1.8 CCCCSCc1ccccn1 62a_100000210211_100000721315 [0,1,0,1,0,0|1,0,1]=4 1463 B12R1.8 CCCCSCc1ccccn1 62a_100000721315_100000210210 [0,1,0,1,0,0|1,0,1]=4 1464 B12R1.8 CCCCSCc1cccnc1 62a_100000210211_100000741622 [0,1,0,1,0,0|2,0,0]=4 1465 B12R1.8 CCCCSCc1cccnc1 62a_100000741622_100000210210 [0,1,0,1,0,0|2,0,0]=4 1466 B12R1.8 CCCCSCc1cccnn1 62a_100000210211_100016990269 [0,1,0,1,0,0|2,0,0]=4 1467 B12R1.8 CCCCSCc1cccnn1 62a_100016990269_100000210210 [0,1,0,1,0,0|2,0,0]=4 1468 B12R1.8 CCCNCCc1ccccc1 2230a_100000106460_100000210303 [0,1,0,1,0,0|1,0,1]=4 1469 B12R1.8 CCCNCCc1ccccc1 34a_100000106460_100000210303 [0,1,0,1,0,0|1,0,1]=4 1470 B12R1.8 CCCNCCc1cccnc1 2230a_100000736294_100000210303 [0,1,0,1,0,0|2,0,0]=4 1471 B12R1.8 CCCOCCc1ccccc1 34a_100000210258_100000765856 [0,1,0,1,0,0|1,0,1]=4 1472 B12R1.8 CCCOCCc1ccccc1 34a_100000210268_100000210303 [0,1,0,1,0,0|1,0,1]=4 1473 B12R1.8 CCCOCCc1ccccc1 7a_100000210268_100000210303 [0,1,0,1,0,0|1,0,1]=4 1474 B12R1.8 CCCOCCc1ccccn1 34a_100000210271_100000210303 [0,1,0,1,0,0|1,0,1]=4 1475 B12R1.8 CCCOCCc1cccnc1 34a_100011217484_100000210303 [0,1,0,1,0,0|2,0,0]=4 1476 B12R1.8 CCCSCCc1ccccc1 62a_100000210303_100011218657 [0,1,0,1,0,0|1,0,1]=4 1477 B12R1.8 CCCSCCc1ccccc1 62a_100000765856_100000210303 [0,1,0,1,0,0|1,0,1]=4 1478 B12R1.8 CCCSCCc1ccccn1 62a_100000210303_100015183660 [0,1,0,1,0,0|1,0,1]=4 1479 B12R1.8 CCCSCCc1ccccn1 62a_100015183660_100000210303 [0,1,0,1,0,0|1,0,1]=4 1480 B12R1.8 CCCSCCc1cccnc1 62a_100000210303_200011713674 [0,1,0,1,0,0|2,0,0]=4 1481 B12R1.8 CCCSCCc1cccnc1 62a_200011713674_100000210303 [0,1,0,1,0,0|2,0,0]=4 1482 B12R1.8 CCNCCCc1ccccc1 2230a_100000211184_100000210202 [0,1,0,1,0,0|1,0,1]=4 1483 B12R1.8 CCNCCCc1ccccc1 2230a_100015525214_100000211621 [0,1,0,1,0,0|1,0,1]=4 1484 B12R1.8 CCNCCCc1ccccc1 34a_100000211184_100000210202 [0,1,0,1,0,0|1,0,1]=4 1485 B12R1.8 CCNCCCc1cccnc1 2230a_100011532358_100000210202 [0,1,0,1,0,0|2,0,0]=4 1486 B12R1.8 CCNCCCc1cccnc1 34a_100011532358_100000210202 [0,1,0,1,0,0|2,0,0]=4 1487 B12R1.8 CCOCCCC1=CCC=CC1 34a_100020667889_100000210202 [0,1,0,1,0,0|1,0,1]=4 1488 B12R1.8 CCOCCCc1ccccc1 34a_100000210828_100000210202 [0,1,0,1,0,0|1,0,1]=4 1489 B12R1.8 CCOCCCc1ccccc1 34a_100121572206_100000211621 [0,1,0,1,0,0|1,0,1]=4 1490 B12R1.8 CCOCCCc1ccccc1 7a_100000210828_100000210202 [0,1,0,1,0,0|1,0,1]=4 1491 B12R1.8 CCOCCCc1ccccn1 34a_100011215068_100000210202 [0,1,0,1,0,0|1,0,1]=4 1492 B12R1.8 CCOCCCc1cccnc1 34a_100000211284_100000210202 [0,1,0,1,0,0|2,0,0]=4 1493 B12R1.8 CCSCCCc1ccccc1 62a_100000210202_100000211621 [0,1,0,1,0,0|1,0,1]=4 1494 B12R1.8 CCSCCCc1ccccc1 62a_100000211621_100000210202 [0,1,0,1,0,0|1,0,1]=4 1495 B12R1.8 CNCCCCc1ccccc1 2230a_100015280158_200000210301 [0,1,0,1,0,0|1,0,1]=4 1496 B12R1.8 CNCCCCc1ccccc1 2230a_106832991635_100000701786 [0,1,0,1,0,0|1,0,1]=4 1497 B12R1.8 CNCCCCc1ccccc1 34a_100015280158_200000210301 [0,1,0,1,0,0|1,0,1]=4 1498 B12R1.8 CNCCCCc1ccccc1 34a_100102657272_100000701786 [0,1,0,1,0,0|1,0,1]=4 1499 B12R1.8 CNCCCCc1ccccc1 7a_106832991635_100000701786 [0,1,0,1,0,0|1,0,1]=4 1500 B12R1.8 COCCCCc1ccccc1 34a_100000703073_200000210301 [0,1,0,1,0,0|1,0,1]=4 1501 B12R1.8 COCCCCc1ccccc1 34a_100138415774_100000701786 [0,1,0,1,0,0|1,0,1]=4 1502 B12R1.8 COCCCCc1ccccc1 7a_100000703073_200000210301 [0,1,0,1,0,0|1,0,1]=4 1503 B12R1.8 COCCCCc1ccccn1 34a_100012186994_200000210301 [0,1,0,1,0,0|1,0,1]=4 1504 B12R1.8 COCCCCc1cccnc1 34a_100012039607_200000210301 [0,1,0,1,0,0|2,0,0]=4 1505 B12R1.8 COCCCCc1cccnc1 7a_100012039607_200000210301 [0,1,0,1,0,0|2,0,0]=4 1506 B12R1.8 CSCCCCc1ccccc1 62a_100000701786_200000210301 [0,1,0,1,0,0|1,0,1]=4 1507 B12R1.8 CSCCCCc1ccccc1 62a_200000210301_100000701786 [0,1,0,1,0,0|1,0,1]=4 1508 B12R1.8 [13CH3]NCCCCc1ccccc1 2230a_100015280158_200025704644 [0,1,0,1,0,0|1,0,1]=4 1509 B12R1.8 [13CH3]NCCCCc1ccccc1 34a_100015280158_200025704644 [0,1,0,1,0,0|1,0,1]=4 1510 B12R1.8 [13CH3]OCCCCc1ccccc1 34a_100000703073_200025704644 [0,1,0,1,0,0|1,0,1]=4 1511 B12R1.8 [13CH3]OCCCCc1ccccc1 7a_100000703073_200025704644 [0,1,0,1,0,0|1,0,1]=4 1512 B12R1.8 [13CH3]OCCCCc1ccccn1 34a_100012186994_200025704644 [0,1,0,1,0,0|1,0,1]=4 1513 B12R1.8 [13CH3]OCCCCc1cccnc1 34a_100012039607_200025704644 [0,1,0,1,0,0|2,0,0]=4 1514 B12R1.8 [13CH3]OCCCCc1cccnc1 7a_100012039607_200025704644 [0,1,0,1,0,0|2,0,0]=4 1515 B12R1.8 [13CH3]SCCCCc1ccccc1 62a_100000701786_200025704644 [0,1,0,1,0,0|1,0,1]=4 1516 B12R1.8 [13CH3]SCCCCc1ccccc1 62a_200025704644_100000701786 [0,1,0,1,0,0|1,0,1]=4 1517 B12R1.37 CCC=CC=NNC1CCCC1 4a_100000737850_100011216943 [0,1,0,1,0,0|2,0,0]=4 1518 B12R1.37 CCCCCC=Cc1c[nH]cn1 271570a_100000062253_100000756875 [0,1,0,1,0,0|1,0,1]=4 1519 B12R1.37 CCCCCC=Cc1cc[nH]n1 271570a_100000062253_100000062575 [0,1,0,1,0,0|1,0,1]=4 1520 B12R1.37 CCCCCC=Cc1ccco1 271570a_100000062253_100009814098 [0,1,0,1,0,0|0,0,1]=3 1521 B12R1.37 CCCCCC=Cc1cccs1 271570a_100000062253_100011215356 [0,1,0,1,0,0|0,1,1]=4 1522 B12R1.37 CCCCCC=Cc1ccoc1 271570a_100000062253_100011215275 [0,1,0,1,0,0|0,0,1]=3 1523 B12R1.37 CCCCCC=Cc1ccsc1 271570a_100000062253_100000738268 [0,1,0,1,0,0|0,1,1]=4 1524 B12R1.37 CCCCCC=Cc1ccsn1 271570a_100000062253_100009818082 [0,1,0,1,0,0|0,1,1]=4 1525 B12R1.37 CCCCCC=Cc1cn[nH]c1 271570a_100000062253_100000238712 [0,1,0,1,0,0|2,0,0]=4 1526 B12R1.37 CCCCCC=Cc1cnco1 271570a_100000062253_100020591547 [0,1,0,1,0,0|0,0,1]=3 1527 B12R1.37 CCCCCC=Cc1cncs1 271570a_100000062253_100011934649 [0,1,0,1,0,0|0,1,1]=4 1528 B12R1.37 CCCCCC=Cc1cnoc1 271570a_100000062253_100009815712 [0,1,0,1,0,0|1,0,0]=3 1529 B12R1.37 CCCCCC=Cc1cnsc1 271570a_100000062253_100009815736 [0,1,0,1,0,0|1,1,0]=4 1530 B12R1.37 CCCCCC=Cc1cscn1 271570a_100000062253_100000751502 [0,1,0,1,0,0|1,0,1]=4 1531 B12R1.37 CCCCCC=Cc1nc[nH]n1 271570a_100000062253_100000761765 [0,1,0,1,0,0|2,0,0]=4 1532 B12R1.37 CCCCCC=Cc1ncc[nH]1 271570a_100000062253_100025796157 [0,1,0,1,0,0|1,0,1]=4 1533 B12R1.37 CCCCCC=Cc1ncco1 271570a_100000062253_100011787736 [0,1,0,1,0,0|0,0,1]=3 1534 B12R1.37 CCCCCC=Cc1nccs1 271570a_100000062253_100000211983 [0,1,0,1,0,0|0,1,1]=4 1535 B12R1.37 CCCCCC=Cc1ncns1 271570a_100000062253_100000693119 [0,1,0,1,0,0|1,1,0]=4 1536 B12R1.37 CCCCCC=Cc1nncs1 271570a_100000062253_100000739804 [0,1,0,1,0,0|2,0,0]=4 1537 B12R1.37 CCCCCCSc1ccco1 62a_100000210314_100009814098 [0,1,0,1,0,0|0,0,2]=4 1538 B12R1.37 CCCCCCSc1ccco1 62a_100009814098_100000210757 [0,1,0,1,0,0|0,0,2]=4 1539 B12R1.37 CCCCCNCc1ccco1 207a_100000209983_100000186105 [0,1,0,1,0,0|0,0,2]=4 1540 B12R1.37 CCCCCNCc1ccco1 2230a_100000185738_100000210326 [0,1,0,1,0,0|0,0,2]=4 1541 B12R1.37 CCCCCNCc1ccco1 270004a_100000209983_100000186105 [0,1,0,1,0,0|0,0,2]=4 1542 B12R1.37 CCCCCNCc1ccco1 34a_100000185738_100000718602 [0,1,0,1,0,0|0,0,2]=4 1543 B12R1.37 CCCCCNN=C1C=CCC1 4a_100000694160_100000239507 [0,1,0,1,0,0|2,0,0]=4 1544 B12R1.37 CCCCCOCc1ccco1 34a_100000210059_100000718602 [0,1,0,1,0,0|0,0,2]=4 1545 B12R1.37 CCCCCOCc1ccno1 34a_100000740478_100000718602 [0,1,0,1,0,0|1,0,1]=4 1546 B12R1.37 CCCCNCCc1ccco1 2230a_100000694680_100000210211 [0,1,0,1,0,0|0,0,2]=4 1547 B12R1.37 CCCCNCCc1ccco1 34a_100000694680_100000210210 [0,1,0,1,0,0|0,0,2]=4 1548 B12R1.37 CCCCNN=Cc1ccco1 4a_100025702795_100000186105 [0,1,0,1,0,0|1,0,1]=4 1549 B12R1.37 CCCCOCSc1ccco1 62a_100009814098_100011995733 [0,1,0,1,0,0|1,0,1]=4 1550 B12R1.37 CCCCOCSc1ccco1 62a_100011995733_100009814098 [0,1,0,1,0,0|1,0,1]=4 1551 B12R1.37 CCCNCC=Cc1ccco1 270004a_100020643023_100000185671 [0,1,0,1,0,0|0,0,2]=4 1552 B12R1.37 CCCOCCSc1ccco1 62a_100009814098_100011215938 [0,1,0,1,0,0|1,0,1]=4 1553 B12R1.37 CCCOCCSc1ccco1 62a_100011215938_100009814098 [0,1,0,1,0,0|1,0,1]=4 1554 B12R1.37 CCOCCCSc1ccco1 62a_100009814098_100012232248 [0,1,0,1,0,0|1,0,1]=4 1555 B12R1.37 CCOCCCSc1ccco1 62a_100012232248_100009814098 [0,1,0,1,0,0|1,0,1]=4 1556 B12R1.37 COCCCCSc1ccco1 62a_100000730899_100009814098 [0,1,0,1,0,0|1,0,1]=4 1557 B12R1.37 COCCCCSc1ccco1 62a_100009814098_100000730899 [0,1,0,1,0,0|1,0,1]=4 1558 B12R1.37 FCCCCCSc1ccco1 62a_100000729378_100009814098 [0,1,0,1,0,0|1,0,1]=4 1559 B12R1.37 FCCCCCSc1ccco1 62a_100009814098_100000729378 [0,1,0,1,0,0|1,0,1]=4 1560 B12R1.37 OCCCCCSc1ccco1 62a_100000746330_100009814098 [0,1,0,1,0,0|1,0,1]=4 1561 B12R1.37 OCCCCCSc1ccco1 62a_100009814098_100000746330 [0,1,0,1,0,0|1,0,1]=4 1562 B12R1.45 CCCC=Cc1ccsc1CO 271570a_100016258520_100000702026 [0,1,0,1,0,0|0,0,2]=4 1563 B12R1.45 CCCC=Cc1cscc1CO 271570a_100016258520_100000724555 [0,1,0,1,0,0|0,0,2]=4 1564 B12R1.45 CCCC=Cc1sccc1CO 271570a_100016258520_100009816922 [0,1,0,1,0,0|0,0,2]=4 1565 B12R1.45 CCCCSc1ccsc1CO 62a_100000210211_100000702026 [0,1,0,1,0,0|1,0,0]=3 1566 B12R1.45 CCCCSc1ccsc1CO 62a_100000702026_100000210210 [0,1,0,1,0,0|1,0,0]=3 1567 B12R1.45 CCCCSc1cscc1CC 62a_100000210211_100011068457 [0,1,0,1,0,0|2,0,0]=4 1568 B12R1.45 CCCCSc1cscc1CC 62a_100011068457_100000210210 [0,1,0,1,0,0|2,0,0]=4 1569 B12R1.45 CCCCSc1cscc1CO 62a_100000210211_100000724555 [0,1,0,1,0,0|1,0,0]=3 1570 B12R1.45 CCCCSc1cscc1CO 62a_100000724555_100000210210 [0,1,0,1,0,0|1,0,0]=3 1571 B12R1.45 CCCCSc1ncsc1CO 62a_100000210211_100012000948 [0,1,0,1,0,0|2,0,0]=4 1572 B12R1.45 CCCCSc1ncsc1CO 62a_100012000948_100000210210 [0,1,0,1,0,0|2,0,0]=4 1573 B12R1.45 CCCCSc1sccc1CC 62a_100000210211_200009875468 [0,1,0,1,0,0|2,0,0]=4 1574 B12R1.45 CCCCSc1sccc1CC 62a_200009875468_100000210210 [0,1,0,1,0,0|2,0,0]=4 1575 B12R1.45 CCCCSc1sccc1CN 62a_100000210211_100000727803 [0,1,0,1,0,0|2,0,0]=4 1576 B12R1.45 CCCCSc1sccc1CN 62a_100000727803_100000210210 [0,1,0,1,0,0|2,0,0]=4 1577 B12R1.45 CCCCSc1sccc1CO 62a_100000210211_100009816922 [0,1,0,1,0,0|1,0,0]=3 1578 B12R1.45 CCCCSc1sccc1CO 62a_100009816922_100000210210 [0,1,0,1,0,0|1,0,0]=3 1579 B12R1.45 CCCNCc1cccn1CC 2230a_103496549365_100000210303 [0,1,0,1,0,0|2,0,0]=4 1580 B12R1.45 CCCNCc1cccn1CC 270004a_100020643023_100011302050 [0,1,0,1,0,0|2,0,0]=4 1581 B12R1.45 CCCNCc1cccn1CC 34a_103496549365_100000210303 [0,1,0,1,0,0|2,0,0]=4 1582 B12R1.45 CCOCSc1ccsc1CO 62a_100000702026_100000739092 [0,1,0,1,0,0|2,0,0]=4 1583 B12R1.45 CCOCSc1ccsc1CO 62a_100000739092_100000702026 [0,1,0,1,0,0|2,0,0]=4 1584 B12R1.45 CCOCSc1cscc1CO 62a_100000724555_100000739092 [0,1,0,1,0,0|2,0,0]=4 1585 B12R1.45 CCOCSc1cscc1CO 62a_100000739092_100000724555 [0,1,0,1,0,0|2,0,0]=4 1586 B12R1.45 CCOCSc1sccc1CO 62a_100000739092_100009816922 [0,1,0,1,0,0|2,0,0]=4 1587 B12R1.45 CCOCSc1sccc1CO 62a_100009816922_100000739092 [0,1,0,1,0,0|2,0,0]=4 1588 B12R1.45 COCCSc1ccsc1CO 62a_100000233755_100000702026 [0,1,0,1,0,0|2,0,0]=4 1589 B12R1.45 COCCSc1ccsc1CO 62a_100000702026_100000233755 [0,1,0,1,0,0|2,0,0]=4 1590 B12R1.45 COCCSc1cscc1CO 62a_100000233755_100000724555 [0,1,0,1,0,0|2,0,0]=4 1591 B12R1.45 COCCSc1cscc1CO 62a_100000724555_100000233755 [0,1,0,1,0,0|2,0,0]=4 1592 B12R1.45 COCCSc1sccc1CO 62a_100000233755_100009816922 [0,1,0,1,0,0|2,0,0]=4 1593 B12R1.45 COCCSc1sccc1CO 62a_100009816922_100000233755 [0,1,0,1,0,0|2,0,0]=4 1594 B12R1.45 CSCCSc1ccsc1CO 62a_100000212216_100000702026 [0,1,0,1,0,0|2,0,0]=4 1595 B12R1.45 CSCCSc1ccsc1CO 62a_100000702026_100000751147 [0,1,0,1,0,0|2,0,0]=4 1596 B12R1.45 CSCCSc1cscc1CO 62a_100000212216_100000724555 [0,1,0,1,0,0|2,0,0]=4 1597 B12R1.45 CSCCSc1cscc1CO 62a_100000724555_100000751147 [0,1,0,1,0,0|2,0,0]=4 1598 B12R1.45 CSCCSc1sccc1CO 62a_100000212216_100009816922 [0,1,0,1,0,0|2,0,0]=4 1599 B12R1.45 CSCCSc1sccc1CO 62a_100009816922_100000751147 [0,1,0,1,0,0|2,0,0]=4 1600 B12R1.45 OCCCSc1ccsc1CO 62a_100000702026_100011215043 [0,1,0,1,0,0|2,0,0]=4 1601 B12R1.45 OCCCSc1ccsc1CO 62a_100011215043_100000702026 [0,1,0,1,0,0|2,0,0]=4 1602 B12R1.45 OCCCSc1cscc1CO 62a_100000724555_100011215043 [0,1,0,1,0,0|2,0,0]=4 1603 B12R1.45 OCCCSc1cscc1CO 62a_100011215043_100000724555 [0,1,0,1,0,0|2,0,0]=4 1604 B12R1.45 OCCCSc1sccc1CO 62a_100009816922_100011215043 [0,1,0,1,0,0|2,0,0]=4 1605 B12R1.45 OCCCSc1sccc1CO 62a_100011215043_100009816922 [0,1,0,1,0,0|2,0,0]=4 1606 B12R1.45 OCc1ccsc1SCCCF 62a_100009816922_100011934791 [0,1,0,1,0,0|2,0,0]=4 1607 B12R1.45 OCc1ccsc1SCCCF 62a_100011934791_100009816922 [0,1,0,1,0,0|2,0,0]=4 1608 B12R1.45 OCc1cscc1SCCCF 62a_100000724555_100011934791 [0,1,0,1,0,0|2,0,0]=4 1609 B12R1.45 OCc1cscc1SCCCF 62a_100011934791_100000724555 [0,1,0,1,0,0|2,0,0]=4 1610 B12R1.45 OCc1sccc1SCCCF 62a_100000702026_100011934791 [0,1,0,1,0,0|2,0,0]=4 1611 B12R1.45 OCc1sccc1SCCCF 62a_100011934791_100000702026 [0,1,0,1,0,0|2,0,0]=4 1612 B12R1.121 CCCCc1ccccc1CC 271570a_100020621405_100011215823 [0,1,0,1,0,0|1,0,1]=4 1613 B12R1.121 CCCCc1ccccc1CN 271570a_100020621405_100000689332 [0,1,0,1,0,0|1,0,1]=4 1614 B12R1.121 CCCCc1ccccc1CO 271570a_100020621405_100000187465 [0,1,0,1,0,0|0,0,1]=3 1615 B12R1.121 CCCCc1ccccc1OC 271570a_100020621405_100000174000 [0,1,0,1,0,0|0,0,2]=4 1616 B12R1.121 CCCCc1cccnc1CC 271570a_100020621405_100009877225 [0,1,0,1,0,0|1,0,1]=4 1617 B12R1.121 CCCCc1cccnc1CN 271570a_100020621405_100020591323 [0,1,0,1,0,0|1,0,1]=4 1618 B12R1.121 CCCCc1cccnc1CO 271570a_100020621405_100011996772 [0,1,0,1,0,0|0,0,1]=3 1619 B12R1.121 CCCCc1ccncc1CC 271570a_100020621405_100025704421 [0,1,0,1,0,0|1,0,1]=4 1620 B12R1.121 CCCCc1ccncc1CO 271570a_100020621405_100000117392 [0,1,0,1,0,0|0,0,1]=3 1621 B12R1.121 CCCCc1cnccc1CC 271570a_100020621405_100009819861 [0,1,0,1,0,0|1,0,1]=4 1622 B12R1.121 CCCCc1cnccc1CN 271570a_100020621405_100020640021 [0,1,0,1,0,0|1,0,1]=4 1623 B12R1.121 CCCCc1cnccc1CO 271570a_100020621405_100009873359 [0,1,0,1,0,0|0,0,1]=3 1624 B12R1.121 CCCCc1ncccc1CN 271570a_100020621405_100015189234 [0,1,0,1,0,0|1,0,1]=4 1625 B12R1.121 CCCCc1ncccc1CO 271570a_100020621405_100000748726 [0,1,0,1,0,0|0,0,1]=3 1626 B12R1.121 CCCCc1nccnc1CO 271570a_100020621405_100000057004 [0,1,0,1,0,0|1,0,1]=4 1627 B12R1.121 CCCNc1ccccc1CO 34a_100000212039_100000210303 [0,1,0,1,0,0|0,0,2]=4 1628 B12R1.121 CCCOc1ccccc1CO 34a_100011216872_100000210303 [0,1,0,1,0,0|0,0,2]=4 1629 B12R1.121 CCCOc1cccnc1CO 34a_100000731849_100000210303 [0,1,0,1,0,0|1,0,1]=4 1630 B12R1.121 CCCOc1cnccc1CO 34a_100000078615_100000210303 [0,1,0,1,0,0|1,0,1]=4 1631 B12R1.121 CCCSc1ccccc1CO 62a_100000187465_100000210303 [0,1,0,1,0,0|0,0,2]=4 1632 B12R1.121 CCCSc1ccccc1CO 62a_100000210303_100000187465 [0,1,0,1,0,0|0,0,2]=4 1633 B12R1.121 CCCSc1cccnc1CO 62a_100000210303_100011996772 [0,1,0,1,0,0|1,0,1]=4 1634 B12R1.121 CCCSc1cccnc1CO 62a_100011996772_100000210303 [0,1,0,1,0,0|1,0,1]=4 1635 B12R1.121 CCCSc1ccncc1CO 62a_100000117392_100000210303 [0,1,0,1,0,0|1,0,1]=4 1636 B12R1.121 CCCSc1ccncc1CO 62a_100000210303_100000117392 [0,1,0,1,0,0|1,0,1]=4 1637 B12R1.121 CCCSc1cnccc1CO 62a_100000210303_100009873359 [0,1,0,1,0,0|1,0,1]=4 1638 B12R1.121 CCCSc1cnccc1CO 62a_100009873359_100000210303 [0,1,0,1,0,0|1,0,1]=4 1639 B12R1.121 CCCSc1ncccc1CO 62a_100000210303_100000748726 [0,1,0,1,0,0|1,0,1]=4 1640 B12R1.121 CCCSc1ncccc1CO 62a_100000748726_100000210303 [0,1,0,1,0,0|1,0,1]=4 1641 B12R1.121 CCNCc1ccccc1CO 2230a_100015525214_100009816955 [0,1,0,1,0,0|0,0,2]=4 1642 B12R1.121 CCOCc1ccccc1CO 34a_100121572206_100009816955 [0,1,0,1,0,0|0,0,2]=4 1643 B12R1.121 CCSCc1ccccc1CO 62a_100000210202_100009816955 [0,1,0,1,0,0|0,0,2]=4 1644 B12R1.121 CCSCc1ccccc1CO 62a_100009816955_100000210202 [0,1,0,1,0,0|0,0,2]=4 1645 B12R1.267 CCCCCc1ncncc1O 271570a_203496583355_100009816991 [0,1,0,1,0,0|1,0,1]=4 1646 B12R1.267 CCCCNc1ccccc1O 34a_100000185747_100000210210 [0,1,0,1,0,0|0,0,2]=4 1647 B12R1.267 CCCCOc1ccccc1O 271570a_203496583355_100000230755 [0,1,0,1,0,0|0,0,2]=4 1648 B12R1.267 CCCCSc1ccccc1O 62a_100000210211_100000739446 [0,1,0,1,0,0|0,0,2]=4 1649 B12R1.267 CCCCSc1ccccc1O 62a_100000739446_100000210210 [0,1,0,1,0,0|0,0,2]=4 1650 B12R1.267 CCCCSc1cccnc1O 62a_100000210211_100000760158 [0,1,0,1,0,0|1,0,1]=4 1651 B12R1.267 CCCCSc1cccnc1O 62a_100000760158_100000210210 [0,1,0,1,0,0|1,0,1]=4 1652 B12R1.267 CCCCSc1ccncc1O 62a_100000210211_100009817591 [0,1,0,1,0,0|1,0,1]=4 1653 B12R1.267 CCCCSc1ccncc1O 62a_100009817591_100000210210 [0,1,0,1,0,0|1,0,1]=4 1654 B12R1.267 CCCCSc1ncccc1O 62a_100000034122_100000210210 [0,1,0,1,0,0|1,0,1]=4 1655 B12R1.267 CCCCSc1ncccc1O 62a_100000210211_100000034122 [0,1,0,1,0,0|1,0,1]=4 1656 B12R1.267 CCCNCc1ccccc1O 271570a_203496583355_100000196483 [0,1,0,1,0,0|0,0,2]=4 1657 B12R1.267 CCCNCc1ccccc1O 34a_100000185550_100000210303 [0,1,0,1,0,0|0,0,2]=4 1658 B12R1.267 CCCNCc1cccnc1O 207a_100020643023_100011998315 [0,1,0,1,0,0|1,0,1]=4 1659 B12R1.267 CCCNCc1cccnc1O 270004a_100020643023_100011998315 [0,1,0,1,0,0|1,0,1]=4 1660 B12R1.267 CCCOCc1ncccc1O 34a_100000210258_200020655725 [0,1,0,1,0,0|1,0,1]=4 1661 B12R1.267 CCCSCc1ccccc1O 271570a_203496583355_200000173363 [0,1,0,1,0,0|0,0,2]=4 1662 B12R1.267 CCCSCc1ncccc1O 62a_100000210303_200020655725 [0,1,0,1,0,0|1,0,1]=4 1663 B12R1.267 CCCSCc1ncccc1O 62a_200020655725_100000210303 [0,1,0,1,0,0|1,0,1]=4 1664 B12R1.267 CCNCCc1ccccc1O 34a_100011207237_100000210202 [0,1,0,1,0,0|0,0,2]=4 1665 B12R1.267 CCOCCc1ccccc1O 34a_100121572206_100000722297 [0,1,0,1,0,0|0,0,2]=4 1666 B12R1.267 CCSCCc1ccccc1O 62a_100000210202_100000722297 [0,1,0,1,0,0|0,0,2]=4 1667 B12R1.267 CCSCCc1ccccc1O 62a_100000722297_100000210202 [0,1,0,1,0,0|0,0,2]=4 1668 B12R1.267 OCCCCc1ccccc1O 271570a_203496583355_100012092669 [0,1,0,1,0,0|0,0,2]=4 1669 B12R1.272 CCC=CC=NNCC1CCC1 4a_200020586977_100011216943 [0,1,0,1,0,0|2,0,0]=4 1670 B12R1.320 CCCCC1C=CCN1CCO 2230a_100015184376_100000211926 [0,1,0,1,0,0|0,0,2]=4 1671 B12R1.320 CCCCC1C=CCN1CCO 269982a_100015184376_100000211926 [0,1,0,1,0,0|0,0,2]=4 1672 B12R1.320 CCCCC1C=CCN1CCO 34a_100015184376_100000211926 [0,1,0,1,0,0|0,0,2]=4 1673 B12R1.320 CCCCC1C=CCN1COC 2230a_100015184376_100000766300 [0,1,0,1,0,0|1,0,1]=4 1674 B12R1.320 CCCCC1C=CCN1COC 269982a_100015184376_100000766300 [0,1,0,1,0,0|1,0,1]=4 1675 B12R1.329 OCCOC1C=CCCCCC1 34a_100000688657_100000211926 [0,1,0,1,0,0|0,0,2]=4 1676 B12R1.372 CCCCCCc1ccsc1O 271570a_203496583355_100009817158 [0,1,0,1,0,0|0,0,2]=4 1677 B12R1.372 CCCCNCc1cccn1C 270004a_100000102301_100000211633 [0,1,0,1,0,0|2,0,0]=4 1678 B12R1.372 CCCCNCc1cccn1C 34a_100011219357_100000210210 [0,1,0,1,0,0|2,0,0]=4 1679 B12R1.372 CCCNCCc1cccn1C 2230a_100011251756_100000210303 [0,1,0,1,0,0|2,0,0]=4 1680 B12R1.372 CCCNCCc1cccn1C 34a_100011251756_100000210303 [0,1,0,1,0,0|2,0,0]=4 1681 B12R1.375 CCC/C=C/C=C/COC1CC1 34a_100016294078_100000211595 [0,1,0,1,0,0|2,0,0]=4 1682 B12R1.28 CCCCNc1cccc(c1)O 34a_100000210217_100000210210 [0,1,0,1,0,0|1,0,1]=4 1683 B12R1.28 CCCCOc1cccc(c1)O 271570a_203496583355_200011212284 [0,1,0,1,0,0|1,0,1]=4 1684 B12R1.28 CCCCOc1cccc(n1)O 271570a_203496583355_200011960251 [0,1,0,1,0,0|1,0,1]=4 1685 B12R1.28 CCCCSc1cccc(c1)O 271570a_203496583355_100010128134 [0,1,0,1,0,0|1,0,1]=4 1686 B12R1.28 CCCCSc1cccc(c1)O 62a_100000210211_100000211634 [0,1,0,1,0,0|1,0,1]=4 1687 B12R1.28 CCCNCc1cccc(c1)O 207a_100020643023_100000188321 [0,1,0,1,0,0|1,0,1]=4 1688 B12R1.28 CCCNCc1cccc(c1)O 2230a_100000743036_100000210303 [0,1,0,1,0,0|1,0,1]=4 1689 B12R1.28 CCCNCc1cccc(c1)O 270004a_100020643023_100000188321 [0,1,0,1,0,0|1,0,1]=4 1690 B12R1.28 CCCNCc1cccc(c1)O 271570a_203496583355_100015184641 [0,1,0,1,0,0|1,0,1]=4 1691 B12R1.28 CCCNCc1cccc(c1)O 34a_100000743036_100000210303 [0,1,0,1,0,0|1,0,1]=4 1692 B12R1.28 CCCOCc1cccc(c1)O 34a_100000210258_100011660834 [0,1,0,1,0,0|1,0,1]=4 1693 B12R1.28 CCCSCc1cccc(c1)O 62a_100000210303_100011660834 [0,1,0,1,0,0|1,0,1]=4 1694 B12R1.28 CCCSCc1cccc(c1)O 62a_100011660834_100000210303 [0,1,0,1,0,0|1,0,1]=4 1695 B12R1.28 CCNCCc1cccc(c1)O 2230a_100000747277_100000210202 [0,1,0,1,0,0|1,0,1]=4 1696 B12R1.28 CCNCCc1cccc(c1)O 34a_100000747277_100000210202 [0,1,0,1,0,0|1,0,1]=4 1697 B12R1.32 CCCC(=O)C=C1CCCCC1 1458a_100000743792_100000210303 [0,1,0,1,0,0|1,0,1]=4 1698 B12R1.32 CCNC(=O)C=C1CCCCC1 11a_100015525214_100000743792 [0,1,0,1,0,0|2,0,0]=4 1699 B12R1.32 CCNC(=O)C=C1CCCCC1 240690a_100015525214_100000743792 [0,1,0,1,0,0|2,0,0]=4 1700 B12R1.32 O=C(C=C1CCCCC1)CCF 1458a_100000743792_100011217306 [0,1,0,1,0,0|1,0,1]=4 1701 B12R1.32 O=C(C=C1CCCCC1)CCO 1458a_100000743792_100000211926 [0,1,0,1,0,0|0,0,1]=3 1702 B12R1.32 O=C(C=C1CCOCC1)CCO 1458a_100000761426_100000211926 [0,1,0,1,0,0|1,0,1]=4 1703 B12R1.51 CCCC(C)CSc1ccco1 62a_100009814098_100011216630 [0,1,0,1,0,0|1,0,1]=4 1704 B12R1.51 CCCC(C)CSc1ccco1 62a_100011216630_100009814098 [0,1,0,1,0,0|1,0,1]=4 1705 B12R1.69 CCCCc1ccc(cc1O)Br 271570a_100020621405_100012344904 [0,1,0,1,0,0|0,0,2]=4 1706 B12R1.69 CCCCc1ccc(cc1O)C 271570a_100020621405_100012002257 [0,1,0,1,0,0|0,0,2]=4 1707 B12R1.69 CCCCc1ccc(cc1O)Cl 271570a_100020621405_100000050036 [0,1,0,1,0,0|0,0,2]=4 1708 B12R1.69 CCCCc1ccc(cc1O)F 271570a_100020621405_100000690578 [0,1,0,1,0,0|0,0,2]=4 1709 B12R1.69 CCCCc1ccc(cc1O)O 271570a_100020621405_100009813921 [0,1,0,1,0,0|0,0,2]=4 1710 B12R1.1 CCCCCc1ccc(cc1)O 271570a_203496583355_100009813665 [0,1,0,1,0,0|1,0,1]=4 1711 B12R1.7 CCCCCCc1ccc(s1)O 271570a_203496583355_100009817186 [0,1,0,1,0,0|0,0,2]=4 1712 B12R1.7 CCCCNN=C1C=CC(C1)O 4a_100025702795_100000069023 [0,1,0,1,0,0|2,0,0]=4 1713 B12R1.25 CCCCc1cccc(c1O)Br 271570a_100020621405_100010084509 [0,1,0,1,0,0|0,0,2]=4 1714 B12R1.25 CCCCc1cccc(c1O)C 271570a_100020621405_100009817157 [0,1,0,1,0,0|0,0,2]=4 1715 B12R1.25 CCCCc1cccc(c1O)Cl 271570a_100020621405_100010202889 [0,1,0,1,0,0|0,0,2]=4 1716 B12R1.25 CCCCc1cccc(c1O)F 271570a_100020621405_100009813666 [0,1,0,1,0,0|0,0,2]=4 1717 B12R1.25 CCCCc1cccc(c1O)N 271570a_100020621405_100011934915 [0,1,0,1,0,0|0,0,2]=4 1718 B12R1.25 CCCCc1cccc(c1O)O 271570a_100020621405_100009815950 [0,1,0,1,0,0|0,0,2]=4 1719 B12R1.27 CCC(=O)C=CC1=CCCCC1 1458a_100016289660_100000210202 [0,1,0,1,0,0|1,0,1]=4 1720 B12R1.27 CCC(=O)C=CC1CCCCC1 1458a_100102566626_100000210202 [0,1,0,1,0,0|1,0,1]=4 1721 B12R1.27 O=C(C=CC1=CCCCC1)CF 1458a_100016289660_100015361967 [0,1,0,1,0,0|1,0,1]=4 1722 B12R1.27 O=C(C=CC1CCCCC1)CF 1458a_100102566626_100015361967 [0,1,0,1,0,0|1,0,1]=4 1723 B12R1.382 CCCCc1cc(ccn1)CO 271570a_100020621405_100009814636 [0,1,0,1,0,0|1,0,1]=4 1724 B12R1.382 CCCCc1cccc(c1)CC 271570a_100020621405_100000684523 [0,1,0,1,0,0|1,0,1]=4 1725 B12R1.382 CCCCc1cccc(c1)CF 271570a_100020621405_100010878472 [0,1,0,1,0,0|1,0,1]=4 1726 B12R1.382 CCCCc1cccc(c1)CN 271570a_100020621405_100000106179 [0,1,0,1,0,0|1,0,1]=4 1727 B12R1.382 CCCCc1cccc(c1)CO 271570a_100020621405_100000687537 [0,1,0,1,0,0|0,0,1]=3 1728 B12R1.382 CCCCc1cccc(n1)CC 271570a_100020621405_100009856026 [0,1,0,1,0,0|1,0,1]=4 1729 B12R1.382 CCCCc1cccc(n1)CN 271570a_100020621405_100016990191 [0,1,0,1,0,0|1,0,1]=4 1730 B12R1.382 CCCCc1cccc(n1)CO 271570a_100020621405_100000694195 [0,1,0,1,0,0|0,0,1]=3 1731 B12R1.382 CCCCc1ccnc(c1)CO 271570a_100020621405_100009819072 [0,1,0,1,0,0|1,0,1]=4 1732 B12R1.382 CCCCc1cncc(c1)CO 271570a_100020621405_100011259137 [0,1,0,1,0,0|1,0,1]=4 1733 B12R1.382 CCCCc1cncc(n1)CO 271570a_100020621405_100009853123 [0,1,0,1,0,0|1,0,1]=4 1734 B12R1.382 CCCNc1cccc(c1)CO 2230a_100000211919_100000210303 [0,1,0,1,0,0|1,0,1]=4 1735 B12R1.382 CCCNc1cccc(c1)CO 34a_100000211919_100000210303 [0,1,0,1,0,0|1,0,1]=4 1736 B12R1.382 CCCOc1cccc(c1)CO 34a_100011214949_100000210303 [0,1,0,1,0,0|1,0,1]=4 1737 B12R1.382 CCCOc1cccc(c1)CO 7a_100011214949_100000210303 [0,1,0,1,0,0|1,0,1]=4 1738 B12R1.382 CCCSc1cccc(c1)CO 62a_100000210303_100000687537 [0,1,0,1,0,0|1,0,1]=4 1739 B12R1.382 CCCSc1cccc(c1)CO 62a_100000687537_100000210303 [0,1,0,1,0,0|1,0,1]=4 1740 B12R1.382 CCCSc1cccc(n1)CO 62a_100000210303_100000694195 [0,1,0,1,0,0|1,0,1]=4 1741 B12R1.382 CCCSc1cccc(n1)CO 62a_100000694195_100000210303 [0,1,0,1,0,0|1,0,1]=4 1742 B12R1.382 CCNCc1cccc(c1)CO 207a_100015525214_200000050894 [0,1,0,1,0,0|1,0,1]=4 1743 B12R1.382 CCNCc1cccc(c1)CO 2230a_100011269909_100000210202 [0,1,0,1,0,0|1,0,1]=4 1744 B12R1.382 CCNCc1cccc(c1)CO 2230a_100015525214_100010188025 [0,1,0,1,0,0|1,0,1]=4 1745 B12R1.382 CCNCc1cccc(c1)CO 270004a_100015525214_200000050894 [0,1,0,1,0,0|1,0,1]=4 1746 B12R1.382 CCNCc1cccc(c1)CO 34a_100011269909_100000210202 [0,1,0,1,0,0|1,0,1]=4 1747 B12R1.382 CCNCc1cccc(n1)CO 207a_100015525214_200000070131 [0,1,0,1,0,0|1,0,1]=4 1748 B12R1.382 CCNCc1cccc(n1)CO 2230a_100015525214_100009813551 [0,1,0,1,0,0|1,0,1]=4 1749 B12R1.382 CCNCc1cccc(n1)CO 270004a_100015525214_200000070131 [0,1,0,1,0,0|1,0,1]=4 1750 B12R1.382 CCOCc1cccc(c1)CO 34a_100121572206_100010188025 [0,1,0,1,0,0|1,0,1]=4 1751 B12R1.382 CCOCc1cccc(n1)CO 34a_100121572206_100009813551 [0,1,0,1,0,0|1,0,1]=4 1752 B12R1.382 CCSCc1cccc(c1)CO 62a_100000210202_100010188025 [0,1,0,1,0,0|1,0,1]=4 1753 B12R1.382 CCSCc1cccc(c1)CO 62a_100010188025_100000210202 [0,1,0,1,0,0|1,0,1]=4 1754 B12R1.382 CCSCc1cccc(n1)CO 62a_100000210202_100009813551 [0,1,0,1,0,0|1,0,1]=4 1755 B12R1.382 CCSCc1cccc(n1)CO 62a_100009813551_100000210202 [0,1,0,1,0,0|1,0,1]=4 1756 B12R1.455 CCCC=Cc1ccc(o1)CO 271570a_100016258520_100000246276 [0,1,0,1,0,0|0,0,2]=4 1757 B12R1.455 CCCC=Cc1ccc(s1)CO 271570a_100016258520_100000246291 [0,1,0,1,0,0|0,0,2]=4 1758 B12R1.455 CCCCCc1noc(n1)CO 270196a_200011207956_100000210174 [0,1,0,1,0,0|2,0,0]=4 1759 B12R1.455 CCCCSc1ccc(o1)CN 62a_100000210211_100000708654 [0,1,0,1,0,0|2,0,0]=4 1760 B12R1.455 CCCCSc1ccc(o1)CO 62a_100000210211_100000246276 [0,1,0,1,0,0|1,0,0]=3 1761 B12R1.455 CCCCSc1ccc(o1)CO 62a_100000246276_100000210210 [0,1,0,1,0,0|1,0,0]=3 1762 B12R1.455 CCCCSc1ccc(s1)CC 62a_100000210211_100009844052 [0,1,0,1,0,0|2,0,0]=4 1763 B12R1.455 CCCCSc1ccc(s1)CC 62a_100009844052_100000210210 [0,1,0,1,0,0|2,0,0]=4 1764 B12R1.455 CCCCSc1ccc(s1)CN 62a_100000210211_100000737305 [0,1,0,1,0,0|2,0,0]=4 1765 B12R1.455 CCCCSc1ccc(s1)CN 62a_100000737305_100000210210 [0,1,0,1,0,0|2,0,0]=4 1766 B12R1.455 CCCCSc1ccc(s1)CO 62a_100000210211_100000246291 [0,1,0,1,0,0|1,0,0]=3 1767 B12R1.455 CCCCSc1ccc(s1)CO 62a_100000246291_100000210210 [0,1,0,1,0,0|1,0,0]=3 1768 B12R1.455 CCCCSc1cnc(s1)CO 62a_100000210211_100000696694 [0,1,0,1,0,0|2,0,0]=4 1769 B12R1.455 CCCCSc1cnc(s1)CO 62a_100000696694_100000210210 [0,1,0,1,0,0|2,0,0]=4 1770 B12R1.455 CCCCSc1csc(c1)CO 62a_100000210211_100000238369 [0,1,0,1,0,0|2,0,0]=4 1771 B12R1.455 CCCCSc1csc(c1)CO 62a_100000238369_100000210210 [0,1,0,1,0,0|2,0,0]=4 1772 B12R1.455 CCCCSc1csc(n1)CO 62a_100000210211_100012000107 [0,1,0,1,0,0|2,0,0]=4 1773 B12R1.455 CCCCSc1csc(n1)CO 62a_100012000107_100000210210 [0,1,0,1,0,0|2,0,0]=4 1774 B12R1.455 CCCCSc1nc(cs1)CO 62a_100000210211_100009816749 [0,1,0,1,0,0|2,0,0]=4 1775 B12R1.455 CCCCSc1nc(cs1)CO 62a_100009816749_100000210210 [0,1,0,1,0,0|2,0,0]=4 1776 B12R1.455 CCCCSc1ncc(s1)CO 62a_100000210211_100009816753 [0,1,0,1,0,0|2,0,0]=4 1777 B12R1.455 CCCCSc1ncc(s1)CO 62a_100009816753_100000210210 [0,1,0,1,0,0|2,0,0]=4 1778 B12R1.455 CCCNCc1ccc(o1)CC 207a_100020643023_100000743199 [0,1,0,1,0,0|2,0,0]=4 1779 B12R1.455 CCCNCc1ccc(o1)CC 270004a_100020643023_100000743199 [0,1,0,1,0,0|2,0,0]=4 1780 B12R1.455 CCCNCc1ccc(o1)CO 207a_100020643023_100000758743 [0,1,0,1,0,0|1,0,0]=3 1781 B12R1.455 CCCNCc1ccc(o1)CO 270004a_100020643023_100000758743 [0,1,0,1,0,0|1,0,0]=3 1782 B12R1.455 CCCNCc1ccc(s1)CC 207a_100020643023_100000746206 [0,1,0,1,0,0|2,0,0]=4 1783 B12R1.455 CCCNCc1ccc(s1)CC 270004a_100020643023_100000746206 [0,1,0,1,0,0|2,0,0]=4 1784 B12R1.455 CCOCSc1ccc(o1)CO 62a_100000246276_100000739092 [0,1,0,1,0,0|2,0,0]=4 1785 B12R1.455 CCOCSc1ccc(o1)CO 62a_100000739092_100000246276 [0,1,0,1,0,0|2,0,0]=4 1786 B12R1.455 CCOCSc1ccc(s1)CO 62a_100000246291_100000739092 [0,1,0,1,0,0|2,0,0]=4 1787 B12R1.455 CCOCSc1ccc(s1)CO 62a_100000739092_100000246291 [0,1,0,1,0,0|2,0,0]=4 1788 B12R1.455 COCCSc1ccc(o1)CO 62a_100000233755_100000246276 [0,1,0,1,0,0|2,0,0]=4 1789 B12R1.455 COCCSc1ccc(o1)CO 62a_100000246276_100000233755 [0,1,0,1,0,0|2,0,0]=4 1790 B12R1.455 COCCSc1ccc(s1)CO 62a_100000233755_100000246291 [0,1,0,1,0,0|2,0,0]=4 1791 B12R1.455 COCCSc1ccc(s1)CO 62a_100000246291_100000233755 [0,1,0,1,0,0|2,0,0]=4 1792 B12R1.455 CSCCSc1ccc(o1)CO 62a_100000212216_100000246276 [0,1,0,1,0,0|2,0,0]=4 1793 B12R1.455 CSCCSc1ccc(o1)CO 62a_100000246276_100000751147 [0,1,0,1,0,0|2,0,0]=4 1794 B12R1.455 CSCCSc1ccc(s1)CO 62a_100000212216_100000246291 [0,1,0,1,0,0|2,0,0]=4 1795 B12R1.455 CSCCSc1ccc(s1)CO 62a_100000246291_100000751147 [0,1,0,1,0,0|2,0,0]=4 1796 B12R1.455 OCCCSc1ccc(o1)CO 62a_100000246276_100011215043 [0,1,0,1,0,0|2,0,0]=4 1797 B12R1.455 OCCCSc1ccc(o1)CO 62a_100011215043_100000246276 [0,1,0,1,0,0|2,0,0]=4 1798 B12R1.455 OCCCSc1ccc(s1)CO 62a_100000246291_100011215043 [0,1,0,1,0,0|2,0,0]=4 1799 B12R1.455 OCCCSc1ccc(s1)CO 62a_100011215043_100000246291 [0,1,0,1,0,0|2,0,0]=4 1800 B12R1.455 OCCNCc1ccc(o1)CO 207a_100000210304_100000758743 [0,1,0,1,0,0|2,0,0]=4 1801 B12R1.455 OCCNCc1ccc(o1)CO 270004a_100000210304_100000758743 [0,1,0,1,0,0|2,0,0]=4 1802 B12R1.455 OCc1ccc(o1)SCCCF 62a_100000246276_100011934791 [0,1,0,1,0,0|2,0,0]=4 1803 B12R1.455 OCc1ccc(o1)SCCCF 62a_100011934791_100000246276 [0,1,0,1,0,0|2,0,0]=4 1804 B12R1.455 OCc1ccc(s1)SCCCF 62a_100000246291_100011934791 [0,1,0,1,0,0|2,0,0]=4 1805 B12R1.455 OCc1ccc(s1)SCCCF 62a_100011934791_100000246291 [0,1,0,1,0,0|2,0,0]=4 1806 B12R1.1748 CCC(=O)C=C1CCCCCC1 1458a_100011240665_100000210202 [0,1,0,1,0,0|1,0,1]=4 1807 B12R1.1748 O=C(C=C1CCCCCC1)CF 1458a_100011240665_100015361967 [0,1,0,1,0,0|1,0,1]=4 1808 B12R1.30 CCC=CC(=O)C1CCCCC1 1458a_100000212282_100000210327 [0,1,0,1,0,0|1,0,1]=4 1809 B12R1.53 CCC=CC(=O)CC1CCCC1 1458a_100000212282_100000740388 [0,1,0,1,0,0|1,0,1]=4 1810 B12R1.53 CCC=CC(=O)NC1CCCC1 11a_100000211070_100000212282 [0,1,0,1,0,0|2,0,0]=4 1811 B12R1.53 CCC=CC(=O)NC1CCCC1 1626a_100000211070_100000212282 [0,1,0,1,0,0|2,0,0]=4 1812 B12R1.53 CCC=CC(=O)NC1CCCC1 240690a_100000211070_100000212282 [0,1,0,1,0,0|2,0,0]=4 1813 B12R1.53 CCCCC(=Cc1ccco1)Br 271570a_206741709834_100009814098 [0,1,0,1,0,0|0,0,2]=4 1814 B12R1.53 CCCCC(C)Sc1ccco1 62a_100009814098_200011215066 [0,1,0,1,0,0|1,0,1]=4 1815 B12R1.53 CCCCC(C)Sc1ccco1 62a_200011215066_100009814098 [0,1,0,1,0,0|1,0,1]=4 1816 B12R1.374 CCCCc1cc(ccc1O)Br 271570a_100020621405_100012355227 [0,1,0,1,0,0|0,0,2]=4 1817 B12R1.374 CCCCc1cc(ccc1O)C 271570a_100020621405_100000765521 [0,1,0,1,0,0|0,0,2]=4 1818 B12R1.374 CCCCc1cc(ccc1O)Cl 271570a_100020621405_100011356953 [0,1,0,1,0,0|0,0,2]=4 1819 B12R1.374 CCCCc1cc(ccc1O)F 271570a_100020621405_100000211999 [0,1,0,1,0,0|0,0,2]=4 1820 B12R1.374 CCCCc1cc(ccc1O)N 271570a_100020621405_100011534360 [0,1,0,1,0,0|0,0,2]=4 1821 B12R1.374 CCCCc1cc(ccc1O)O 271570a_100020621405_100009813629 [0,1,0,1,0,0|0,0,2]=4 1822 B12R1.460 CCC=CC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000212282 [0,1,0,1,0,0|2,0,0]=4 1823 B12R1.460 CCC=CC(=O)N1CCC[C@H]1C 11a_100015189458_100000212282 [0,1,0,1,0,0|2,0,0]=4 1824 B12R1.460 CCC=CC(=O)N1CCC[C@H]1C 240690a_100015189458_100000212282 [0,1,0,1,0,0|2,0,0]=4 1825 B12R1.463 CCC=CC(=O)NCC1CCC1 11a_100000738700_100000212282 [0,1,0,1,0,0|2,0,0]=4 1826 B12R1.463 CCC=CC(=O)NCC1CCC1 1626a_100000738700_100000212282 [0,1,0,1,0,0|2,0,0]=4 1827 B12R1.463 CCC=CC(=O)NCC1CCC1 240690a_100000738700_100000212282 [0,1,0,1,0,0|2,0,0]=4 1828 B12R1.464 CCC=CC(=O)NCCC1CC1 1626a_100000764129_100000212282 [0,1,0,1,0,0|2,0,0]=4 1829 B12R1.464 CCC=CC(=O)NCCC1CC1 240690a_100000764129_100000212282 [0,1,0,1,0,0|2,0,0]=4 1830 B12R1.35 C/C=C/C=CC(=O)C1CCCC1 1458a_100000185730_100000179811 [0,1,0,1,0,0|1,0,1]=4 1831 B12R1.35 CC/C=C/CC(=O)C1CCCC1 1458a_100016274230_100000179811 [0,1,0,1,0,0|1,0,1]=4 1832 B12R1.35 CC/C=C\CC(=O)C1CCCC1 1458a_100000210718_100103147603 [0,1,0,1,0,0|1,0,1]=4 1833 B12R1.35 CCCC=CC(=O)C1CCCC1 1458a_100000212230_100000179811 [0,1,0,1,0,0|1,0,1]=4 1834 B12R1.35 CCCCCC(=O)C1=CCCC1 1458a_100000038896_100000210326 [0,1,0,1,0,0|1,0,1]=4 1835 B12R1.35 CCCCCC(=O)C1=COCC1 1458a_100000750620_100000210326 [0,1,0,1,0,0|2,0,0]=4 1836 B12R1.35 CCCSCC(=O)c1ccco1 62a_100000210303_100000211439 [0,1,0,1,0,0|1,0,1]=4 1837 B12R1.35 CCCSCC(=O)c1ccco1 62a_100000211439_100000210303 [0,1,0,1,0,0|1,0,1]=4 1838 B12R1.35 CCOC=CC(=O)C1CCCC1 1458a_100016266692_100000179811 [0,1,0,1,0,0|2,0,0]=4 1839 B12R1.481 CC/C=C\CC(=O)C1CC1CC 1458a_200011661523_100103147603 [0,1,0,1,0,0|1,0,1]=4 1840 B12R1.483 C/C=C/C=CC(=O)CC1CCC1 1458a_100000185730_100000763275 [0,1,0,1,0,0|1,0,1]=4 1841 B12R1.483 CC/C=C/CC(=O)CC1CCC1 1458a_100016274230_100000763275 [0,1,0,1,0,0|1,0,1]=4 1842 B12R1.483 CC/C=C\CC(=O)CC1CCC1 1458a_100000763092_100103147603 [0,1,0,1,0,0|1,0,1]=4 1843 B12R1.483 CCCC=CC(=O)CC1CCC1 1458a_100000212230_100000763275 [0,1,0,1,0,0|1,0,1]=4 1844 B12R1.483 CCCCCC(=O)C=C1CCC1 1458a_100000686340_100000210326 [0,1,0,1,0,0|1,0,1]=4 1845 B12R1.483 CCOC=CC(=O)CC1CCC1 1458a_100016266692_100000763275 [0,1,0,1,0,0|2,0,0]=4 1846 B12R1.484 C/C=C/C=CC(=O)CCC1CC1 1458a_100000185730_100000694398 [0,1,0,1,0,0|1,0,1]=4 1847 B12R1.484 CC/C=C/CC(=O)CCC1CC1 1458a_100016274230_100000694398 [0,1,0,1,0,0|1,0,1]=4 1848 B12R1.484 CC/C=C\CC(=O)CCC1CC1 1458a_100000756386_100103147603 [0,1,0,1,0,0|1,0,1]=4 1849 B12R1.484 CCCC=CC(=O)CCC1CC1 1458a_100000212230_100000694398 [0,1,0,1,0,0|1,0,1]=4 1850 B12R1.484 CCCCCC(=O)C=CC1CC1 1458a_100102529529_100000210326 [0,1,0,1,0,0|1,0,1]=4 1851 B12R1.484 CCOC=CC(=O)CCC1CC1 1458a_100016266692_100000694398 [0,1,0,1,0,0|2,0,0]=4 1852 B12R1.1631 CCCCc1c(cccc1Br)O 271570a_100020621405_100010187912 [0,1,0,1,0,0|0,0,2]=4 1853 B12R1.1631 CCCCc1c(cccc1Cl)O 271570a_100020621405_100000050174 [0,1,0,1,0,0|0,0,2]=4 1854 B12R1.1631 CCCCc1c(cccc1F)O 271570a_100020621405_100009820682 [0,1,0,1,0,0|0,0,2]=4 1855 B12R1.1631 CCCCc1c(cccc1O)C 271570a_100020621405_100000686692 [0,1,0,1,0,0|0,0,2]=4 1856 B12R1.1631 CCCCc1c(cccc1O)N 271570a_100020621405_100012183704 [0,1,0,1,0,0|0,0,2]=4 1857 B12R1.1631 CCCCc1c(cccc1O)O 271570a_100020621405_100010205330 [0,1,0,1,0,0|0,0,2]=4 1858 B12R1.255 CC(C)CCCSc1ccco1 62a_100009814098_100011214892 [0,1,0,1,0,0|1,0,1]=4 1859 B12R1.255 CC(C)CCCSc1ccco1 62a_100011214892_100009814098 [0,1,0,1,0,0|1,0,1]=4 1860 B12R1.255 CC(O)CCCSc1ccco1 62a_100009814098_200000718107 [0,1,0,1,0,0|1,0,1]=4 1861 B12R1.255 CC(O)CCCSc1ccco1 62a_200000718107_100009814098 [0,1,0,1,0,0|1,0,1]=4 1862 B12R2.2 C1=C(CCCC1)c2ccco2 271570a_100000062251_100009814098 [0,0,0,2,0,0|0,0,2]=4 1863 B12R2.98 C(=C1CCCC1)c2ccco2 271570a_100010378317_100009814098 [0,0,0,2,0,0|0,0,2]=4 1864 B12R2.98 c1coc(c1)SC2CCCC2 62a_100009814098_100000179811 [0,0,0,2,0,0|1,0,1]=4 1865 B12R2.98 c1coc(c1)SC2CCCC2 62a_100011217020_100009814098 [0,0,0,2,0,0|1,0,1]=4 1866 B12R2.2056 c1coc(c1)SCC2CCC2 62a_100000763275_100009814098 [0,0,0,2,0,0|1,0,1]=4 1867 B12R2.2056 c1coc(c1)SCC2CCC2 62a_100009814098_100000763275 [0,0,0,2,0,0|1,0,1]=4 1868 B12R2.2383 c1coc(c1)SCCC2CC2 62a_100000764125_100009814098 [0,0,0,2,0,0|1,0,1]=4 1869 B12R2.2383 c1coc(c1)SCCC2CC2 62a_100009814098_100000764125 [0,0,0,2,0,0|1,0,1]=4 1870 B12R2.1081 Oc1cccc2c1CCCC2 271570a_203496583355_100012354034 [0,0,0,2,0,0|0,0,2]=4 1871 B12R2.2048 OCc1ccccc1C2CC2 271570a_100011220607_100000187465 [0,0,0,2,0,0|0,0,2]=4 1872 B12R2.2048 OCc1cccnc1C2CC2 271570a_100011220607_100000748726 [0,0,0,2,0,0|1,0,1]=4