0 B8R0.4 C#CCCCCCNC 2230a_106832991635_100012094781 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.4 C#CCCCCCNC 34a_100102657272_100012094781 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.4 C#CCCCCCNC 7a_106832991635_100012094781 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.4 C#CCCCCCOC 34a_100000766912_200000210301 [0,0,0,0,0,0|2,1,1]=4 4 B8R0.4 C#CCCCCCOC 34a_100138415774_100012094781 [0,0,0,0,0,0|2,1,1]=4 5 B8R0.4 C#CCCCCCOC 7a_100000766912_200000210301 [0,0,0,0,0,0|2,1,1]=4 6 B8R0.4 C#CCCCCCO[13CH3] 34a_100000766912_200025704644 [0,0,0,0,0,0|2,1,1]=4 7 B8R0.4 C#CCCCCCO[13CH3] 7a_100000766912_200025704644 [0,0,0,0,0,0|2,1,1]=4 8 B8R0.4 C#CCCCCCSC 62a_100012094781_200000210301 [0,0,0,0,0,0|2,0,1]=3 9 B8R0.4 C#CCCCCCSC 62a_200000210301_100012094781 [0,0,0,0,0,0|2,0,1]=3 10 B8R0.4 C#CCCCCCS[13CH3] 62a_100012094781_200025704644 [0,0,0,0,0,0|2,0,1]=3 11 B8R0.4 C#CCCCCCS[13CH3] 62a_200025704644_100012094781 [0,0,0,0,0,0|2,0,1]=3 12 B8R0.4 C#CCCCNCSC 34a_100000718082_100011218213 [0,0,0,0,0,0|3,0,1]=4 13 B8R0.4 C#CCCCOCSC 34a_100000215630_100011218213 [0,0,0,0,0,0|3,0,1]=4 14 B8R0.4 C#CCCCSCSC 62a_100011215417_100011218213 [0,0,0,0,0,0|3,0,1]=4 15 B8R0.4 C#CCCCSCSC 62a_100011218213_100011215417 [0,0,0,0,0,0|3,0,1]=4 16 B8R0.4 C#CCCNCCSC 2230a_100020590264_100000688953 [0,0,0,0,0,0|3,0,1]=4 17 B8R0.4 C#CCCNCCSC 34a_100000755551_100000212216 [0,0,0,0,0,0|3,0,1]=4 18 B8R0.4 C#CCCOCCSC 34a_100000230434_100000688953 [0,0,0,0,0,0|3,0,1]=4 19 B8R0.4 C#CCCOCCSC 34a_100011215631_100000212216 [0,0,0,0,0,0|3,0,1]=4 20 B8R0.4 C#CCCOCCSC 7a_100000230434_100000688953 [0,0,0,0,0,0|3,0,1]=4 21 B8R0.4 C#CCCSCCSC 62a_100000212216_100000688953 [0,0,0,0,0,0|3,0,1]=4 22 B8R0.4 C#CCCSCCSC 62a_100000688953_100000751147 [0,0,0,0,0,0|3,0,1]=4 23 B8R0.4 C#CCNCCCSC 2230a_100000749238_100000038162 [0,0,0,0,0,0|3,0,1]=4 24 B8R0.4 C#CCOCCCSC 34a_100000690336_100000184674 [0,0,0,0,0,0|3,0,1]=4 25 B8R0.4 C#CCOCCCSC 7a_100000690336_100000038162 [0,0,0,0,0,0|3,0,1]=4 26 B8R0.4 C/C=C/CCOCSC 34a_100016278192_100011218213 [0,0,0,0,0,0|3,0,1]=4 27 B8R0.4 C/C=C/COCCSC 34a_100000230434_100102629194 [0,0,0,0,0,0|3,0,1]=4 28 B8R0.4 C/C=C/COCCSC 34a_100016270725_100000212216 [0,0,0,0,0,0|3,0,1]=4 29 B8R0.4 C/C=C/COCCSC 7a_100000230434_100102629194 [0,0,0,0,0,0|3,0,1]=4 30 B8R0.4 C/C=C/CSCCSC 62a_100000212216_100102629194 [0,0,0,0,0,0|3,0,1]=4 31 B8R0.4 C/C=C/CSCCSC 62a_100102629194_100000751147 [0,0,0,0,0,0|3,0,1]=4 32 B8R0.4 C=CCCCCCNC 2230a_106832991635_100000700193 [0,0,0,0,0,0|3,0,1]=4 33 B8R0.4 C=CCCCCCNC 34a_100102657272_100000700193 [0,0,0,0,0,0|3,0,1]=4 34 B8R0.4 C=CCCCCCNC 7a_106832991635_100000700193 [0,0,0,0,0,0|3,0,1]=4 35 B8R0.4 C=CCCCCCOC 34a_100011216702_200000210301 [0,0,0,0,0,0|2,1,1]=4 36 B8R0.4 C=CCCCCCOC 34a_100138415774_100000700193 [0,0,0,0,0,0|2,1,1]=4 37 B8R0.4 C=CCCCCCOC 7a_100011216702_200000210301 [0,0,0,0,0,0|2,1,1]=4 38 B8R0.4 C=CCCCCCO[13CH3] 34a_100011216702_200025704644 [0,0,0,0,0,0|2,1,1]=4 39 B8R0.4 C=CCCCCCO[13CH3] 7a_100011216702_200025704644 [0,0,0,0,0,0|2,1,1]=4 40 B8R0.4 C=CCCCCCSC 62a_100000700193_200000210301 [0,0,0,0,0,0|2,0,1]=3 41 B8R0.4 C=CCCCCCSC 62a_200000210301_100000700193 [0,0,0,0,0,0|2,0,1]=3 42 B8R0.4 C=CCCCCCS[13CH3] 62a_100000700193_200025704644 [0,0,0,0,0,0|2,0,1]=3 43 B8R0.4 C=CCCCCCS[13CH3] 62a_200025704644_100000700193 [0,0,0,0,0,0|2,0,1]=3 44 B8R0.4 C=CCCCNCSC 2230a_100000700776_100011218213 [0,0,0,0,0,0|3,0,1]=4 45 B8R0.4 C=CCCCNCSC 34a_100000700776_100011218213 [0,0,0,0,0,0|3,0,1]=4 46 B8R0.4 C=CCCCOCSC 34a_100000758997_100011218213 [0,0,0,0,0,0|3,0,1]=4 47 B8R0.4 C=CCCCSCSC 62a_100011218213_100000757094 [0,0,0,0,0,0|3,0,1]=4 48 B8R0.4 C=CCCCSCSC 62a_100011713584_100011218213 [0,0,0,0,0,0|3,0,1]=4 49 B8R0.4 C=CCCNCCSC 2230a_100015191253_100000751147 [0,0,0,0,0,0|3,0,1]=4 50 B8R0.4 C=CCCNCCSC 2230a_100020590264_100000754431 [0,0,0,0,0,0|3,0,1]=4 51 B8R0.4 C=CCCOCCSC 34a_100000230434_100000754431 [0,0,0,0,0,0|3,0,1]=4 52 B8R0.4 C=CCCOCCSC 34a_100011205117_100000212216 [0,0,0,0,0,0|3,0,1]=4 53 B8R0.4 C=CCCOCCSC 7a_100000230434_100000754431 [0,0,0,0,0,0|3,0,1]=4 54 B8R0.4 C=CCCSCCSC 62a_100000212216_100000754431 [0,0,0,0,0,0|3,0,1]=4 55 B8R0.4 C=CCCSCCSC 62a_100000754431_100000751147 [0,0,0,0,0,0|3,0,1]=4 56 B8R0.4 C=CCNCCCSC 2230a_100000749238_100000210623 [0,0,0,0,0,0|3,0,1]=4 57 B8R0.4 C=CCOCCCSC 34a_100000690336_100015514636 [0,0,0,0,0,0|3,0,1]=4 58 B8R0.4 C=CCOCCCSC 7a_100000690336_100015514636 [0,0,0,0,0,0|3,0,1]=4 59 B8R0.4 C=COCCCCOC 34a_100000031558_200000210301 [0,0,0,0,0,0|2,1,1]=4 60 B8R0.4 C=COCCCCOC 7a_100000031558_200000210301 [0,0,0,0,0,0|2,1,1]=4 61 B8R0.4 C=COCCCCO[13CH3] 34a_100000031558_200025704644 [0,0,0,0,0,0|2,1,1]=4 62 B8R0.4 C=COCCCCO[13CH3] 7a_100000031558_200025704644 [0,0,0,0,0,0|2,1,1]=4 63 B8R0.4 C=COCCOCSC 34a_100000033082_100011218213 [0,0,0,0,0,0|3,0,1]=4 64 B8R0.4 C=COCCSCSC 62a_100000039644_100011218213 [0,0,0,0,0,0|3,0,1]=4 65 B8R0.4 C=COCCSCSC 62a_100011218213_100000039644 [0,0,0,0,0,0|3,0,1]=4 66 B8R0.4 CC#CCCOCSC 34a_100000750427_100011218213 [0,0,0,0,0,0|3,0,1]=4 67 B8R0.4 CC#CCNCCSC 2230a_100000685387_100000751147 [0,0,0,0,0,0|3,0,1]=4 68 B8R0.4 CC#CCNCCSC 2230a_100020590264_100000748600 [0,0,0,0,0,0|3,0,1]=4 69 B8R0.4 CC#CCNCCSC 34a_100000685387_100000212216 [0,0,0,0,0,0|3,0,1]=4 70 B8R0.4 CC#CCOCCSC 34a_100000230434_100000748600 [0,0,0,0,0,0|3,0,1]=4 71 B8R0.4 CC#CCOCCSC 34a_100000761923_100000212216 [0,0,0,0,0,0|3,0,1]=4 72 B8R0.4 CC#CCOCCSC 7a_100000230434_100000748600 [0,0,0,0,0,0|3,0,1]=4 73 B8R0.4 CC#CCSCCSC 62a_100000212216_100000748600 [0,0,0,0,0,0|3,0,1]=4 74 B8R0.4 CC#CCSCCSC 62a_100000748600_100000751147 [0,0,0,0,0,0|3,0,1]=4 75 B8R0.4 CC=CCNCCSC 2230a_100020590264_100000070051 [0,0,0,0,0,0|3,0,1]=4 76 B8R0.4 CC=CCOCCSC 34a_100000230434_100000070051 [0,0,0,0,0,0|3,0,1]=4 77 B8R0.4 CC=CCOCCSC 7a_100000230434_100000070051 [0,0,0,0,0,0|3,0,1]=4 78 B8R0.4 CC=CCSCCSC 62a_100000070051_100000751147 [0,0,0,0,0,0|3,0,1]=4 79 B8R0.4 CC=CCSCCSC 62a_100000212216_100000070051 [0,0,0,0,0,0|3,0,1]=4 80 B8R0.4 CC=NNCCCCC 4a_100000694160_200000210099 [0,0,0,0,0,0|3,0,1]=4 81 B8R0.4 CCCCCCCNC 2230a_100000229938_200000210301 [0,0,0,0,0,0|3,0,1]=4 82 B8R0.4 CCCCCCCNC 2230a_106832991635_100000210681 [0,0,0,0,0,0|3,0,1]=4 83 B8R0.4 CCCCCCCNC 34a_100102657272_100000210614 [0,0,0,0,0,0|3,0,1]=4 84 B8R0.4 CCCCCCCNC 7a_106832991635_100000210614 [0,0,0,0,0,0|3,0,1]=4 85 B8R0.4 CCCCCCCN[13CH3] 2230a_100000229938_200025704644 [0,0,0,0,0,0|3,0,1]=4 86 B8R0.4 CCCCCCCOC 34a_100000210272_200000210301 [0,0,0,0,0,0|2,1,1]=4 87 B8R0.4 CCCCCCCOC 34a_100138415774_100000210614 [0,0,0,0,0,0|2,1,1]=4 88 B8R0.4 CCCCCCCOC 7a_100000210272_200000210301 [0,0,0,0,0,0|2,1,1]=4 89 B8R0.4 CCCCCCCO[13CH3] 34a_100000210272_200025704644 [0,0,0,0,0,0|2,1,1]=4 90 B8R0.4 CCCCCCCO[13CH3] 7a_100000210272_200025704644 [0,0,0,0,0,0|2,1,1]=4 91 B8R0.4 CCCCCCCSC 62a_100000210614_200000210301 [0,0,0,0,0,0|2,0,1]=3 92 B8R0.4 CCCCCCCSC 62a_200000210301_100000210316 [0,0,0,0,0,0|2,0,1]=3 93 B8R0.4 CCCCCCCS[13CH3] 62a_100000210614_200025704644 [0,0,0,0,0,0|2,0,1]=3 94 B8R0.4 CCCCCCCS[13CH3] 62a_200025704644_100000210316 [0,0,0,0,0,0|2,0,1]=3 95 B8R0.4 CCCCCCNCC 2230a_100000210581_100000210202 [0,0,0,0,0,0|2,0,2]=4 96 B8R0.4 CCCCCCNCC 2230a_100015525214_100000210314 [0,0,0,0,0,0|2,0,2]=4 97 B8R0.4 CCCCCCOCC 34a_100000210259_100000210202 [0,0,0,0,0,0|3,0,1]=4 98 B8R0.4 CCCCCCOCC 34a_100121572206_100000210314 [0,0,0,0,0,0|3,0,1]=4 99 B8R0.4 CCCCCCOCC 7a_100000210259_100000210202 [0,0,0,0,0,0|3,0,1]=4 100 B8R0.4 CCCCCCOCF 34a_100000210259_100015361967 [0,0,0,0,0,0|3,0,1]=4 101 B8R0.4 CCCCCCOCF 7a_100000210259_100015361967 [0,0,0,0,0,0|3,0,1]=4 102 B8R0.4 CCCCCCSCC 62a_100000210202_100000210757 [0,0,0,0,0,0|3,0,1]=4 103 B8R0.4 CCCCCCSCC 62a_100000210314_100000210202 [0,0,0,0,0,0|3,0,1]=4 104 B8R0.4 CCCCCCSCF 62a_100000210314_100015361967 [0,0,0,0,0,0|3,0,1]=4 105 B8R0.4 CCCCCCSCF 62a_100015361967_100000210757 [0,0,0,0,0,0|3,0,1]=4 106 B8R0.4 CCCCCNCSC 2230a_100000209983_100011218213 [0,0,0,0,0,0|3,0,1]=4 107 B8R0.4 CCCCCOCSC 34a_100000210253_100011218213 [0,0,0,0,0,0|3,0,1]=4 108 B8R0.4 CCCCCSCSC 62a_100000210326_100011218213 [0,0,0,0,0,0|3,0,1]=4 109 B8R0.4 CCCCCSCSC 62a_100011218213_100000210326 [0,0,0,0,0,0|3,0,1]=4 110 B8R0.4 CCCCNCCSC 2230a_100000102301_100000751147 [0,0,0,0,0,0|3,0,1]=4 111 B8R0.4 CCCCNCCSC 2230a_100020590264_100000210211 [0,0,0,0,0,0|3,0,1]=4 112 B8R0.4 CCCCNCCSC 7a_106832991798_100000212216 [0,0,0,0,0,0|3,0,1]=4 113 B8R0.4 CCCCOCCSC 34a_100000210227_100000212216 [0,0,0,0,0,0|3,0,1]=4 114 B8R0.4 CCCCOCCSC 34a_100000230434_100000210210 [0,0,0,0,0,0|3,0,1]=4 115 B8R0.4 CCCCOCCSC 62a_100000743108_200000210301 [0,0,0,0,0,0|3,0,1]=4 116 B8R0.4 CCCCOCCSC 62a_200000210301_100000743108 [0,0,0,0,0,0|3,0,1]=4 117 B8R0.4 CCCCOCCSC 7a_100000210227_100000212216 [0,0,0,0,0,0|3,0,1]=4 118 B8R0.4 CCCCOCCSC 7a_100000230434_100000210211 [0,0,0,0,0,0|3,0,1]=4 119 B8R0.4 CCCCOCCS[13CH3] 62a_100000743108_200025704644 [0,0,0,0,0,0|3,0,1]=4 120 B8R0.4 CCCCOCCS[13CH3] 62a_200025704644_100000743108 [0,0,0,0,0,0|3,0,1]=4 121 B8R0.4 CCCCSCCSC 62a_100000210211_100000751147 [0,0,0,0,0,0|3,0,1]=4 122 B8R0.4 CCCCSCCSC 62a_100000212216_100000210210 [0,0,0,0,0,0|3,0,1]=4 123 B8R0.4 CCCNCCCSC 2230a_100000749238_100000210303 [0,0,0,0,0,0|3,0,1]=4 124 B8R0.4 CCCOCCCSC 34a_100000690336_100000210303 [0,0,0,0,0,0|3,0,1]=4 125 B8R0.4 CCCOCCCSC 7a_100000690336_100000210303 [0,0,0,0,0,0|3,0,1]=4 126 B8R0.4 CCNCCCCOC 2230a_100015525214_100000730899 [0,0,0,0,0,0|1,1,2]=4 127 B8R0.4 CCNCCCN=[N+]=[N-] 2230a_100000744732_100000210202 [0,0,0,0,0,0|4,0,0]=4 128 B8R0.4 CCOCCCCOC 34a_100000740925_100000210202 [0,0,0,0,0,0|2,1,1]=4 129 B8R0.4 CCOCCCCOC 34a_100121572206_100000755781 [0,0,0,0,0,0|2,1,1]=4 130 B8R0.4 CCOCCCCSC 34a_100011217163_100000210202 [0,0,0,0,0,0|2,0,1]=3 131 B8R0.4 CCOCCCCSC 7a_100011217163_100000210202 [0,0,0,0,0,0|2,0,1]=3 132 B8R0.4 CCOCCNCSC 2230a_102516460346_100011218213 [0,0,0,0,0,0|3,0,1]=4 133 B8R0.4 CCOCCNCSC 34a_102516460346_100011218213 [0,0,0,0,0,0|3,0,1]=4 134 B8R0.4 CCOCCOCSC 34a_100000210136_100011218213 [0,0,0,0,0,0|3,0,1]=4 135 B8R0.4 CCOCCSCSC 62a_100000210147_100011218213 [0,0,0,0,0,0|3,0,1]=4 136 B8R0.4 CCOCCSCSC 62a_100011218213_100011215890 [0,0,0,0,0,0|3,0,1]=4 137 B8R0.4 CCOCSCCSC 62a_100000212216_100000739092 [0,0,0,0,0,0|3,0,1]=4 138 B8R0.4 CCOCSCCSC 62a_100000739092_100000751147 [0,0,0,0,0,0|3,0,1]=4 139 B8R0.4 CCSCCCCOC 62a_100000210202_100000730899 [0,0,0,0,0,0|2,1,1]=4 140 B8R0.4 CCSCCCCOC 62a_100000730899_100000210202 [0,0,0,0,0,0|2,1,1]=4 141 B8R0.4 CCSCCNCSC 2230a_100000106463_100011218213 [0,0,0,0,0,0|3,0,1]=4 142 B8R0.4 CCSCCOCSC 34a_100000212035_100011218213 [0,0,0,0,0,0|3,0,1]=4 143 B8R0.4 CCSCCSCSC 62a_100000757381_100011218213 [0,0,0,0,0,0|3,0,1]=4 144 B8R0.4 CCSCCSCSC 62a_100011218213_100000757381 [0,0,0,0,0,0|3,0,1]=4 145 B8R0.4 CNCCCCCC#N 2230a_106832991635_100009813376 [0,0,0,0,0,0|3,0,1]=4 146 B8R0.4 CNCCCCCC#N 7a_106832991635_100009813376 [0,0,0,0,0,0|3,0,1]=4 147 B8R0.4 CNCCCCCC=O 2230a_106832991635_100000139337 [0,0,0,0,0,0|2,1,1]=4 148 B8R0.4 CNCCCCCC=O 7a_106832991635_100000139337 [0,0,0,0,0,0|2,1,1]=4 149 B8R0.4 CNCCCCCCF 2230a_106832991635_100015922095 [0,0,0,0,0,0|3,0,1]=4 150 B8R0.4 CNCCCCCCF 34a_100102657272_100015922095 [0,0,0,0,0,0|3,0,1]=4 151 B8R0.4 CNCCCCCCF 7a_106832991635_100015922095 [0,0,0,0,0,0|3,0,1]=4 152 B8R0.4 CNCCCCCCO 2230a_100000686447_200000210301 [0,0,0,0,0,0|2,1,1]=4 153 B8R0.4 CNCCCCCCO 2230a_106832991635_100000766143 [0,0,0,0,0,0|2,1,1]=4 154 B8R0.4 CNCCCCCCO 34a_100000686447_200000210301 [0,0,0,0,0,0|2,1,1]=4 155 B8R0.4 CNCCCCCCO 34a_100102657272_100000766143 [0,0,0,0,0,0|2,1,1]=4 156 B8R0.4 CNCCCCCCO 7a_106832991635_100000766143 [0,0,0,0,0,0|2,1,1]=4 157 B8R0.4 CNCCCCCOC 2230a_100000747528_200000210301 [0,0,0,0,0,0|3,1,0]=4 158 B8R0.4 CNCCCCCOC 34a_100000722520_200000210301 [0,0,0,0,0,0|3,1,0]=4 159 B8R0.4 CNCCCCCOC 34a_100000747528_200000210301 [0,0,0,0,0,0|3,1,0]=4 160 B8R0.4 CNCCCCCO[13CH3] 34a_100000722520_200025704644 [0,0,0,0,0,0|3,1,0]=4 161 B8R0.4 CNCCCCN=[N+]=[N-] 2230a_100000101370_200000210301 [0,0,0,0,0,0|3,0,0]=3 162 B8R0.4 CNCCCOCSC 34a_100000213112_100011218213 [0,0,0,0,0,0|4,0,0]=4 163 B8R0.4 COCCCCCCBr 34a_100011215345_200000210301 [0,0,0,0,0,0|2,1,1]=4 164 B8R0.4 COCCCCCCBr 7a_100011215345_200000210301 [0,0,0,0,0,0|2,1,1]=4 165 B8R0.4 COCCCCCCCl 34a_100000766143_200000210301 [0,0,0,0,0,0|2,1,1]=4 166 B8R0.4 COCCCCCCCl 7a_100000766143_200000210301 [0,0,0,0,0,0|2,1,1]=4 167 B8R0.4 COCCCCCCF 34a_100000732779_200000210301 [0,0,0,0,0,0|2,1,1]=4 168 B8R0.4 COCCCCCCF 34a_100138415774_100015922095 [0,0,0,0,0,0|2,1,1]=4 169 B8R0.4 COCCCCCCF 7a_100000732779_200000210301 [0,0,0,0,0,0|2,1,1]=4 170 B8R0.4 COCCCCCCN 34a_100000686447_200000210301 [0,0,0,0,0,0|2,1,1]=4 171 B8R0.4 COCCCCCCO 34a_100138415774_100000766143 [0,0,0,0,0,0|1,2,1]=4 172 B8R0.4 COCCCCCN[13CH3] 2230a_100000747528_200025704644 [0,0,0,0,0,0|3,1,0]=4 173 B8R0.4 COCCCCCN[13CH3] 34a_100000747528_200025704644 [0,0,0,0,0,0|3,1,0]=4 174 B8R0.4 COCCCCOCF 34a_100000740925_100015361967 [0,0,0,0,0,0|2,1,1]=4 175 B8R0.4 COCCCCSCF 62a_100000730899_100015361967 [0,0,0,0,0,0|2,1,1]=4 176 B8R0.4 COCCCCSCF 62a_100015361967_100000730899 [0,0,0,0,0,0|2,1,1]=4 177 B8R0.4 COCCCNCSC 34a_100150723488_100011218213 [0,0,0,0,0,0|4,0,0]=4 178 B8R0.4 COCCCOCSC 34a_100000740835_100011218213 [0,0,0,0,0,0|4,0,0]=4 179 B8R0.4 COCCCSCSC 62a_100000709357_100011218213 [0,0,0,0,0,0|4,0,0]=4 180 B8R0.4 COCCCSCSC 62a_100011218213_100000709357 [0,0,0,0,0,0|4,0,0]=4 181 B8R0.4 COCCNCCSC 2230a_100000209980_100000751147 [0,0,0,0,0,0|4,0,0]=4 182 B8R0.4 COCCNCCSC 2230a_100020590264_100011201679 [0,0,0,0,0,0|4,0,0]=4 183 B8R0.4 COCCOCCSC 34a_100000210237_100000212216 [0,0,0,0,0,0|4,0,0]=4 184 B8R0.4 COCCOCCSC 34a_100000230434_100011201679 [0,0,0,0,0,0|4,0,0]=4 185 B8R0.4 COCCOCCSC 62a_100000695917_200000210301 [0,0,0,0,0,0|4,0,0]=4 186 B8R0.4 COCCOCCSC 62a_200000210301_100000695917 [0,0,0,0,0,0|4,0,0]=4 187 B8R0.4 COCCOCCSC 7a_100000230434_100000233755 [0,0,0,0,0,0|4,0,0]=4 188 B8R0.4 COCCOCCS[13CH3] 62a_100000695917_200025704644 [0,0,0,0,0,0|4,0,0]=4 189 B8R0.4 COCCOCCS[13CH3] 62a_200025704644_100000695917 [0,0,0,0,0,0|4,0,0]=4 190 B8R0.4 COCCSCCSC 62a_100000212216_100000233755 [0,0,0,0,0,0|4,0,0]=4 191 B8R0.4 COCCSCCSC 62a_100000233755_100000751147 [0,0,0,0,0,0|4,0,0]=4 192 B8R0.4 COCNCCCSC 2230a_100000749238_100000766300 [0,0,0,0,0,0|4,0,0]=4 193 B8R0.4 CSCCCCCC#N 62a_100009813376_200000210301 [0,0,0,0,0,0|2,0,1]=3 194 B8R0.4 CSCCCCCC#N 62a_200000210301_100009813376 [0,0,0,0,0,0|2,0,1]=3 195 B8R0.4 CSCCCCCC=O 62a_100000139337_200000210301 [0,0,0,0,0,0|1,1,1]=3 196 B8R0.4 CSCCCCCC=O 62a_200000210301_100000139337 [0,0,0,0,0,0|1,1,1]=3 197 B8R0.4 CSCCCCCCF 62a_100015922095_200000210301 [0,0,0,0,0,0|2,0,1]=3 198 B8R0.4 CSCCCCCCF 62a_200000210301_100015922095 [0,0,0,0,0,0|2,0,1]=3 199 B8R0.4 CSCCCCCCO 62a_100000766143_200000210301 [0,0,0,0,0,0|1,1,1]=3 200 B8R0.4 CSCCCCCCO 62a_200000210301_100000766143 [0,0,0,0,0,0|1,1,1]=3 201 B8R0.4 CSCCCCOCF 34a_100011217163_100015361967 [0,0,0,0,0,0|2,0,1]=3 202 B8R0.4 CSCCCCOCF 7a_100011217163_100015361967 [0,0,0,0,0,0|2,0,1]=3 203 B8R0.4 CSCCCNCC#N 2230a_100000749238_100011215382 [0,0,0,0,0,0|3,0,1]=4 204 B8R0.4 CSCCCNCC=O 2230a_100000749238_200015260668 [0,0,0,0,0,0|2,1,1]=4 205 B8R0.4 CSCCCNCCF 2230a_100000749238_100011217306 [0,0,0,0,0,0|3,0,1]=4 206 B8R0.4 CSCCCNCCO 2230a_100000749238_100000211926 [0,0,0,0,0,0|2,1,1]=4 207 B8R0.4 CSCCCNCSC 2230a_100000749238_100011218213 [0,0,0,0,0,0|4,0,0]=4 208 B8R0.4 CSCCCOCC#N 7a_100000690336_100011215382 [0,0,0,0,0,0|3,0,1]=4 209 B8R0.4 CSCCCOCC=O 34a_100000690336_200009817547 [0,0,0,0,0,0|2,1,1]=4 210 B8R0.4 CSCCCOCC=O 7a_100000690336_200015260668 [0,0,0,0,0,0|2,1,1]=4 211 B8R0.4 CSCCCOCCF 34a_100000690336_100011217306 [0,0,0,0,0,0|3,0,1]=4 212 B8R0.4 CSCCCOCCF 7a_100000690336_100011217306 [0,0,0,0,0,0|3,0,1]=4 213 B8R0.4 CSCCCOCCO 34a_100000690336_100000211926 [0,0,0,0,0,0|2,1,1]=4 214 B8R0.4 CSCCCOCCO 7a_100000690336_100000211926 [0,0,0,0,0,0|2,1,1]=4 215 B8R0.4 CSCCCOCSC 34a_100000690336_100011218213 [0,0,0,0,0,0|4,0,0]=4 216 B8R0.4 CSCCNCCC#N 2230a_100020590264_100011215226 [0,0,0,0,0,0|3,0,1]=4 217 B8R0.4 CSCCNCCCF 2230a_100015189416_100000751147 [0,0,0,0,0,0|3,0,1]=4 218 B8R0.4 CSCCNCCCF 2230a_100020590264_100011934791 [0,0,0,0,0,0|3,0,1]=4 219 B8R0.4 CSCCNCCCF 34a_100015189416_100000212216 [0,0,0,0,0,0|3,0,1]=4 220 B8R0.4 CSCCNCCCO 2230a_100020590264_100000230001 [0,0,0,0,0,0|2,1,1]=4 221 B8R0.4 CSCCNCCSC 2230a_100020590264_100000751147 [0,0,0,0,0,0|4,0,0]=4 222 B8R0.4 CSCCOCCC#N 7a_100000230434_100000184422 [0,0,0,0,0,0|3,0,1]=4 223 B8R0.4 CSCCOCCCBr 34a_100011217188_100000212216 [0,0,0,0,0,0|3,0,1]=4 224 B8R0.4 CSCCOCCCCl 34a_100000230001_100000212216 [0,0,0,0,0,0|3,0,1]=4 225 B8R0.4 CSCCOCCCF 34a_100000230434_100011934791 [0,0,0,0,0,0|3,0,1]=4 226 B8R0.4 CSCCOCCCF 34a_100000759539_100000212216 [0,0,0,0,0,0|3,0,1]=4 227 B8R0.4 CSCCOCCCF 7a_100000230434_100011934791 [0,0,0,0,0,0|3,0,1]=4 228 B8R0.4 CSCCOCCCN 34a_100000182051_100000212216 [0,0,0,0,0,0|3,0,1]=4 229 B8R0.4 CSCCOCCCO 34a_100000230434_100000230001 [0,0,0,0,0,0|2,1,1]=4 230 B8R0.4 CSCCOCCCO 7a_100000230434_100011215043 [0,0,0,0,0,0|2,1,1]=4 231 B8R0.4 CSCCOCCON 34a_100000700252_100000212216 [0,0,0,0,0,0|4,0,0]=4 232 B8R0.4 CSCCOCCSC 34a_100000230434_100000212216 [0,0,0,0,0,0|4,0,0]=4 233 B8R0.4 CSCCOCCSC 7a_100000230434_100000212216 [0,0,0,0,0,0|4,0,0]=4 234 B8R0.4 CSCCSCCC#N 62a_100000212216_100011215226 [0,0,0,0,0,0|3,0,1]=4 235 B8R0.4 CSCCSCCC#N 62a_100011215226_100000751147 [0,0,0,0,0,0|3,0,1]=4 236 B8R0.4 CSCCSCCCF 62a_100000212216_100011934791 [0,0,0,0,0,0|3,0,1]=4 237 B8R0.4 CSCCSCCCF 62a_100011934791_100000751147 [0,0,0,0,0,0|3,0,1]=4 238 B8R0.4 CSCCSCCCO 62a_100000212216_100011215043 [0,0,0,0,0,0|2,1,1]=4 239 B8R0.4 CSCCSCCCO 62a_100011215043_100000751147 [0,0,0,0,0,0|2,1,1]=4 240 B8R0.4 CSCCSCCSC 62a_100000212216_100000751147 [0,0,0,0,0,0|4,0,0]=4 241 B8R0.4 CSCCSCSC#N 62a_100000211825_100000751147 [0,0,0,0,0,0|3,0,1]=4 242 B8R0.4 CSCCSCSC#N 62a_100000212216_100000211825 [0,0,0,0,0,0|3,0,1]=4 243 B8R0.4 CSCNCCCCO 2230a_100000750430_100011218213 [0,0,0,0,0,0|2,1,1]=4 244 B8R0.4 CSCNCCCCO 34a_100000750430_100011218213 [0,0,0,0,0,0|2,1,1]=4 245 B8R0.4 CSCOCCCCBr 34a_100011216708_100011218213 [0,0,0,0,0,0|3,0,1]=4 246 B8R0.4 CSCOCCCCCl 34a_100000210776_100011218213 [0,0,0,0,0,0|3,0,1]=4 247 B8R0.4 CSCOCCCCF 34a_100011995726_100011218213 [0,0,0,0,0,0|3,0,1]=4 248 B8R0.4 CSCOCCCCI 34a_200012148704_100011218213 [0,0,0,0,0,0|3,0,1]=4 249 B8R0.4 CSCOCCCCN 34a_100000750430_100011218213 [0,0,0,0,0,0|3,0,1]=4 250 B8R0.4 CSCSCCCC#N 62a_100000687738_100011218213 [0,0,0,0,0,0|3,0,1]=4 251 B8R0.4 CSCSCCCC#N 62a_100011218213_100000687738 [0,0,0,0,0,0|3,0,1]=4 252 B8R0.4 CSCSCCCC=O 62a_100011218213_200011292268 [0,0,0,0,0,0|2,1,1]=4 253 B8R0.4 CSCSCCCC=O 62a_200011292268_100011218213 [0,0,0,0,0,0|2,1,1]=4 254 B8R0.4 CSCSCCCCF 62a_100000729493_100011218213 [0,0,0,0,0,0|3,0,1]=4 255 B8R0.4 CSCSCCCCF 62a_100011218213_100000729493 [0,0,0,0,0,0|3,0,1]=4 256 B8R0.4 CSCSCCCCO 62a_100000210776_100011218213 [0,0,0,0,0,0|2,1,1]=4 257 B8R0.4 CSCSCCCCO 62a_100011218213_100000210776 [0,0,0,0,0,0|2,1,1]=4 258 B8R0.4 CSCSCCSC#N 62a_100000034367_100011218213 [0,0,0,0,0,0|3,0,1]=4 259 B8R0.4 CSCSCCSC#N 62a_100011218213_100000034367 [0,0,0,0,0,0|3,0,1]=4 260 B8R0.4 [13CH3]NCCCCCCO 2230a_100000686447_200025704644 [0,0,0,0,0,0|2,1,1]=4 261 B8R0.4 [13CH3]NCCCCCCO 34a_100000686447_200025704644 [0,0,0,0,0,0|2,1,1]=4 262 B8R0.4 [13CH3]NCCCCN=[N+]=[N-] 2230a_100000101370_200025704644 [0,0,0,0,0,0|3,0,0]=3 263 B8R0.4 [13CH3]OCCCCCCBr 34a_100011215345_200025704644 [0,0,0,0,0,0|2,1,1]=4 264 B8R0.4 [13CH3]OCCCCCCBr 7a_100011215345_200025704644 [0,0,0,0,0,0|2,1,1]=4 265 B8R0.4 [13CH3]OCCCCCCCl 34a_100000766143_200025704644 [0,0,0,0,0,0|2,1,1]=4 266 B8R0.4 [13CH3]OCCCCCCCl 7a_100000766143_200025704644 [0,0,0,0,0,0|2,1,1]=4 267 B8R0.4 [13CH3]OCCCCCCF 34a_100000732779_200025704644 [0,0,0,0,0,0|2,1,1]=4 268 B8R0.4 [13CH3]OCCCCCCF 7a_100000732779_200025704644 [0,0,0,0,0,0|2,1,1]=4 269 B8R0.4 [13CH3]OCCCCCCN 34a_100000686447_200025704644 [0,0,0,0,0,0|2,1,1]=4 270 B8R0.4 [13CH3]SCCCCCC#N 62a_100009813376_200025704644 [0,0,0,0,0,0|2,0,1]=3 271 B8R0.4 [13CH3]SCCCCCC#N 62a_200025704644_100009813376 [0,0,0,0,0,0|2,0,1]=3 272 B8R0.4 [13CH3]SCCCCCC=O 62a_100000139337_200025704644 [0,0,0,0,0,0|1,1,1]=3 273 B8R0.4 [13CH3]SCCCCCC=O 62a_200025704644_100000139337 [0,0,0,0,0,0|1,1,1]=3 274 B8R0.4 [13CH3]SCCCCCCF 62a_100015922095_200025704644 [0,0,0,0,0,0|2,0,1]=3 275 B8R0.4 [13CH3]SCCCCCCF 62a_200025704644_100015922095 [0,0,0,0,0,0|2,0,1]=3 276 B8R0.4 [13CH3]SCCCCCCO 62a_100000766143_200025704644 [0,0,0,0,0,0|1,1,1]=3 277 B8R0.4 [13CH3]SCCCCCCO 62a_200025704644_100000766143 [0,0,0,0,0,0|1,1,1]=3 278 B7R0.1 C#CCCCCNC 2230a_100000706060_200000210301 [1,0,0,0,0,0|2,0,1]=4 279 B7R0.1 C#CCCCCNC 2230a_106832991635_100010269958 [1,0,0,0,0,0|2,0,1]=4 280 B7R0.1 C#CCCCCNC 34a_100000706060_200000210301 [1,0,0,0,0,0|2,0,1]=4 281 B7R0.1 C#CCCCCNC 34a_100102657272_100010269958 [1,0,0,0,0,0|2,0,1]=4 282 B7R0.1 C#CCCCCNC 7a_106832991635_100010269958 [1,0,0,0,0,0|2,0,1]=4 283 B7R0.1 C#CCCCCN[13CH3] 2230a_100000706060_200025704644 [1,0,0,0,0,0|2,0,1]=4 284 B7R0.1 C#CCCCCN[13CH3] 34a_100000706060_200025704644 [1,0,0,0,0,0|2,0,1]=4 285 B7R0.1 C#CCCCCOC 34a_100000766709_200000210301 [1,0,0,0,0,0|1,1,1]=4 286 B7R0.1 C#CCCCCOC 34a_100138415774_100010269958 [1,0,0,0,0,0|1,1,1]=4 287 B7R0.1 C#CCCCCOC 7a_100000766709_200000210301 [1,0,0,0,0,0|1,1,1]=4 288 B7R0.1 C#CCCCCO[13CH3] 34a_100000766709_200025704644 [1,0,0,0,0,0|1,1,1]=4 289 B7R0.1 C#CCCCCO[13CH3] 7a_100000766709_200025704644 [1,0,0,0,0,0|1,1,1]=4 290 B7R0.1 C#CCCCCSC 62a_100010269958_200000210301 [1,0,0,0,0,0|1,0,1]=3 291 B7R0.1 C#CCCCCSC 62a_200000210301_100010269958 [1,0,0,0,0,0|1,0,1]=3 292 B7R0.1 C#CCCCCS[13CH3] 62a_100010269958_200025704644 [1,0,0,0,0,0|1,0,1]=3 293 B7R0.1 C#CCCCCS[13CH3] 62a_200025704644_100010269958 [1,0,0,0,0,0|1,0,1]=3 294 B7R0.1 C#CCCNCSC 34a_100000755551_100011218213 [1,0,0,0,0,0|2,0,1]=4 295 B7R0.1 C#CCCOCSC 34a_100011215631_100011218213 [1,0,0,0,0,0|2,0,1]=4 296 B7R0.1 C#CCCSCSC 62a_100000688953_100011218213 [1,0,0,0,0,0|2,0,1]=4 297 B7R0.1 C#CCCSCSC 62a_100011218213_100000688953 [1,0,0,0,0,0|2,0,1]=4 298 B7R0.1 C#CCNCCSC 2230a_100020590264_100000038162 [1,0,0,0,0,0|2,0,1]=4 299 B7R0.1 C#CCNCCSC 34a_100000212058_100000212216 [1,0,0,0,0,0|2,0,1]=4 300 B7R0.1 C#CCOCCSC 34a_100000210247_100000212216 [1,0,0,0,0,0|2,0,1]=4 301 B7R0.1 C#CCOCCSC 34a_100000230434_100000184674 [1,0,0,0,0,0|2,0,1]=4 302 B7R0.1 C#CCOCCSC 62a_100010402529_200000210301 [1,0,0,0,0,0|2,0,1]=4 303 B7R0.1 C#CCOCCSC 62a_200000210301_100010402529 [1,0,0,0,0,0|2,0,1]=4 304 B7R0.1 C#CCOCCSC 7a_100000230434_100000038162 [1,0,0,0,0,0|2,0,1]=4 305 B7R0.1 C#CCOCCS[13CH3] 62a_100010402529_200025704644 [1,0,0,0,0,0|2,0,1]=4 306 B7R0.1 C#CCOCCS[13CH3] 62a_200025704644_100010402529 [1,0,0,0,0,0|2,0,1]=4 307 B7R0.1 C#CCSCCSC 62a_100000038162_100000751147 [1,0,0,0,0,0|2,0,1]=4 308 B7R0.1 C=CCCCCNC 2230a_100000703577_200000210301 [1,0,0,0,0,0|2,0,1]=4 309 B7R0.1 C=CCCCCNC 2230a_106832991635_100011215482 [1,0,0,0,0,0|2,0,1]=4 310 B7R0.1 C=CCCCCNC 34a_100000703577_200000210301 [1,0,0,0,0,0|2,0,1]=4 311 B7R0.1 C=CCCCCNC 34a_100102657272_100011215482 [1,0,0,0,0,0|2,0,1]=4 312 B7R0.1 C=CCCCCNC 7a_106832991635_100011215482 [1,0,0,0,0,0|2,0,1]=4 313 B7R0.1 C=CCCCCN[13CH3] 2230a_100000703577_200025704644 [1,0,0,0,0,0|2,0,1]=4 314 B7R0.1 C=CCCCCN[13CH3] 34a_100000703577_200025704644 [1,0,0,0,0,0|2,0,1]=4 315 B7R0.1 C=CCCCCOC 34a_100000766645_200000210301 [1,0,0,0,0,0|1,1,1]=4 316 B7R0.1 C=CCCCCOC 34a_100138415774_100011215482 [1,0,0,0,0,0|1,1,1]=4 317 B7R0.1 C=CCCCCOC 7a_100000766645_200000210301 [1,0,0,0,0,0|1,1,1]=4 318 B7R0.1 C=CCCCCO[13CH3] 34a_100000766645_200025704644 [1,0,0,0,0,0|1,1,1]=4 319 B7R0.1 C=CCCCCO[13CH3] 7a_100000766645_200025704644 [1,0,0,0,0,0|1,1,1]=4 320 B7R0.1 C=CCCCCSC 62a_100011215482_200000210301 [1,0,0,0,0,0|1,0,1]=3 321 B7R0.1 C=CCCCCSC 62a_200000210301_100011215482 [1,0,0,0,0,0|1,0,1]=3 322 B7R0.1 C=CCCCCS[13CH3] 62a_100011215482_200025704644 [1,0,0,0,0,0|1,0,1]=3 323 B7R0.1 C=CCCCCS[13CH3] 62a_200025704644_100011215482 [1,0,0,0,0,0|1,0,1]=3 324 B7R0.1 C=CCCNCSC 2230a_100015191253_100011218213 [1,0,0,0,0,0|2,0,1]=4 325 B7R0.1 C=CCCOCSC 34a_100011205117_100011218213 [1,0,0,0,0,0|2,0,1]=4 326 B7R0.1 C=CCCSCSC 62a_100000754431_100011218213 [1,0,0,0,0,0|2,0,1]=4 327 B7R0.1 C=CCCSCSC 62a_100011218213_100000754431 [1,0,0,0,0,0|2,0,1]=4 328 B7R0.1 C=CCNCCSC 2230a_100020586998_100000751147 [1,0,0,0,0,0|2,0,1]=4 329 B7R0.1 C=CCNCCSC 2230a_100020590264_100000210623 [1,0,0,0,0,0|2,0,1]=4 330 B7R0.1 C=CCOCCSC 34a_100000230434_100015514636 [1,0,0,0,0,0|2,0,1]=4 331 B7R0.1 C=CCOCCSC 34a_200000210373_100000212216 [1,0,0,0,0,0|2,0,1]=4 332 B7R0.1 C=CCOCCSC 7a_100000230434_100015514636 [1,0,0,0,0,0|2,0,1]=4 333 B7R0.1 C=CCSCCSC 62a_100000210623_100000751147 [1,0,0,0,0,0|2,0,1]=4 334 B7R0.1 C=CCSCCSC 62a_100000212216_100000210623 [1,0,0,0,0,0|2,0,1]=4 335 B7R0.1 CC=NNCCCC 4a_100025702795_200000210099 [1,0,0,0,0,0|2,0,1]=4 336 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [1,0,0,0,0,0|1,0,2]=4 337 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [1,0,0,0,0,0|1,0,2]=4 338 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [1,0,0,0,0,0|1,0,2]=4 339 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [1,0,0,0,0,0|1,0,2]=4 340 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [1,0,0,0,0,0|1,0,2]=4 341 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [1,0,0,0,0,0|1,1,1]=4 342 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [1,0,0,0,0,0|1,1,1]=4 343 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [1,0,0,0,0,0|1,1,1]=4 344 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [1,0,0,0,0,0|1,1,1]=4 345 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [1,0,0,0,0,0|1,1,1]=4 346 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [1,0,0,0,0,0|1,0,1]=3 347 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [1,0,0,0,0,0|1,0,1]=3 348 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [1,0,0,0,0,0|1,0,1]=3 349 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [1,0,0,0,0,0|1,0,1]=3 350 B7R0.1 CCCCCNCC 2230a_100000209983_100000210202 [1,0,0,0,0,0|1,0,2]=4 351 B7R0.1 CCCCCNCC 2230a_100015525214_100000210326 [1,0,0,0,0,0|1,0,2]=4 352 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [1,0,0,0,0,0|2,0,1]=4 353 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [1,0,0,0,0,0|2,0,1]=4 354 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [1,0,0,0,0,0|2,0,1]=4 355 B7R0.1 CCCCCOCF 34a_100000210253_100015361967 [1,0,0,0,0,0|2,0,1]=4 356 B7R0.1 CCCCCOCF 7a_100000210253_100015361967 [1,0,0,0,0,0|2,0,1]=4 357 B7R0.1 CCCCCSCC 62a_100000210202_100000210326 [1,0,0,0,0,0|2,0,1]=4 358 B7R0.1 CCCCCSCC 62a_100000210326_100000210202 [1,0,0,0,0,0|2,0,1]=4 359 B7R0.1 CCCCCSCF 62a_100000210326_100015361967 [1,0,0,0,0,0|2,0,1]=4 360 B7R0.1 CCCCCSCF 62a_100015361967_100000210326 [1,0,0,0,0,0|2,0,1]=4 361 B7R0.1 CCCCNCSC 2230a_100000102301_100011218213 [1,0,0,0,0,0|2,0,1]=4 362 B7R0.1 CCCCOCSC 34a_100000210227_100011218213 [1,0,0,0,0,0|2,0,1]=4 363 B7R0.1 CCCCOCSC 62a_100011995733_200000210301 [1,0,0,0,0,0|2,0,1]=4 364 B7R0.1 CCCCOCSC 62a_200000210301_100011995733 [1,0,0,0,0,0|2,0,1]=4 365 B7R0.1 CCCCOCS[13CH3] 62a_100011995733_200025704644 [1,0,0,0,0,0|2,0,1]=4 366 B7R0.1 CCCCOCS[13CH3] 62a_200025704644_100011995733 [1,0,0,0,0,0|2,0,1]=4 367 B7R0.1 CCCCSCSC 62a_100000210211_100011218213 [1,0,0,0,0,0|2,0,1]=4 368 B7R0.1 CCCCSCSC 62a_100011218213_100000210210 [1,0,0,0,0,0|2,0,1]=4 369 B7R0.1 CCCNCCSC 2230a_100020590264_100000210303 [1,0,0,0,0,0|2,0,1]=4 370 B7R0.1 CCCOCCSC 34a_100000210258_100000212216 [1,0,0,0,0,0|2,0,1]=4 371 B7R0.1 CCCOCCSC 34a_100000230434_100000210303 [1,0,0,0,0,0|2,0,1]=4 372 B7R0.1 CCCOCCSC 62a_100011215938_200000210301 [1,0,0,0,0,0|2,0,1]=4 373 B7R0.1 CCCOCCSC 62a_200000210301_100011215938 [1,0,0,0,0,0|2,0,1]=4 374 B7R0.1 CCCOCCSC 7a_100000230434_100000210303 [1,0,0,0,0,0|2,0,1]=4 375 B7R0.1 CCCOCCS[13CH3] 62a_100011215938_200025704644 [1,0,0,0,0,0|2,0,1]=4 376 B7R0.1 CCCOCCS[13CH3] 62a_200025704644_100011215938 [1,0,0,0,0,0|2,0,1]=4 377 B7R0.1 CCCSCCSC 62a_100000210303_100000751147 [1,0,0,0,0,0|2,0,1]=4 378 B7R0.1 CCCSCCSC 62a_100000212216_100000210303 [1,0,0,0,0,0|2,0,1]=4 379 B7R0.1 CCNCCCSC 2230a_100000749238_100000210202 [1,0,0,0,0,0|1,0,2]=4 380 B7R0.1 CCOCCCSC 34a_100000690336_100000210202 [1,0,0,0,0,0|2,0,1]=4 381 B7R0.1 CCOCCCSC 62a_100012232248_200000210301 [1,0,0,0,0,0|2,0,1]=4 382 B7R0.1 CCOCCCSC 62a_200000210301_100012232248 [1,0,0,0,0,0|2,0,1]=4 383 B7R0.1 CCOCCCSC 7a_100000690336_100000210202 [1,0,0,0,0,0|2,0,1]=4 384 B7R0.1 CCOCCCS[13CH3] 62a_100012232248_200025704644 [1,0,0,0,0,0|2,0,1]=4 385 B7R0.1 CCOCCCS[13CH3] 62a_200025704644_100012232248 [1,0,0,0,0,0|2,0,1]=4 386 B7R0.1 CNCCCCC#N 2230a_106832991635_100000211819 [1,0,0,0,0,0|2,0,1]=4 387 B7R0.1 CNCCCCC#N 7a_106832991635_100000211819 [1,0,0,0,0,0|2,0,1]=4 388 B7R0.1 CNCCCCC=O 2230a_106832991635_100000139335 [1,0,0,0,0,0|1,1,1]=4 389 B7R0.1 CNCCCCC=O 7a_106832991635_100000139335 [1,0,0,0,0,0|1,1,1]=4 390 B7R0.1 CNCCCCCF 2230a_106832991635_100000729378 [1,0,0,0,0,0|2,0,1]=4 391 B7R0.1 CNCCCCCF 34a_100102657272_100000729378 [1,0,0,0,0,0|2,0,1]=4 392 B7R0.1 CNCCCCCF 7a_106832991635_100000729378 [1,0,0,0,0,0|2,0,1]=4 393 B7R0.1 CNCCCCCO 2230a_100000762737_200000210301 [1,0,0,0,0,0|1,1,1]=4 394 B7R0.1 CNCCCCCO 2230a_106832991635_100000746330 [1,0,0,0,0,0|1,1,1]=4 395 B7R0.1 CNCCCCCO 34a_100000762737_200000210301 [1,0,0,0,0,0|1,1,1]=4 396 B7R0.1 CNCCCCCO 34a_100102657272_100000746330 [1,0,0,0,0,0|1,1,1]=4 397 B7R0.1 CNCCCCCO 7a_106832991635_100000746330 [1,0,0,0,0,0|1,1,1]=4 398 B7R0.1 CNCCCCOC 2230a_106832991635_100000730899 [1,0,0,0,0,0|0,1,2]=4 399 B7R0.1 CNCCCCOC 34a_100102657272_100000755781 [1,0,0,0,0,0|0,1,2]=4 400 B7R0.1 CNCCCCOC 7a_106832991635_100000730899 [1,0,0,0,0,0|0,1,2]=4 401 B7R0.1 CNCCCN=[N+]=[N-] 2230a_100000744732_200000210301 [1,0,0,0,0,0|3,0,0]=4 402 B7R0.1 COCCCCCBr 34a_100000746331_200000210301 [1,0,0,0,0,0|1,1,1]=4 403 B7R0.1 COCCCCCBr 7a_100000746331_200000210301 [1,0,0,0,0,0|1,1,1]=4 404 B7R0.1 COCCCCCCl 34a_100000746330_200000210301 [1,0,0,0,0,0|1,1,1]=4 405 B7R0.1 COCCCCCCl 7a_100000746330_200000210301 [1,0,0,0,0,0|1,1,1]=4 406 B7R0.1 COCCCCCF 34a_100138415774_100000729378 [1,0,0,0,0,0|1,1,1]=4 407 B7R0.1 COCCCCCI 34a_200012148887_200000210301 [1,0,0,0,0,0|1,1,1]=4 408 B7R0.1 COCCCCCI 7a_200012148887_200000210301 [1,0,0,0,0,0|1,1,1]=4 409 B7R0.1 COCCCCCN 34a_100000762737_200000210301 [1,0,0,0,0,0|1,1,1]=4 410 B7R0.1 COCCCCCO 34a_100138415774_100000746330 [1,0,0,0,0,0|0,2,1]=4 411 B7R0.1 COCCCCOC 34a_100000740925_200000210301 [1,0,0,0,0,0|1,1,1]=4 412 B7R0.1 COCCCCOC 34a_100138415774_100000755781 [1,0,0,0,0,0|1,1,1]=4 413 B7R0.1 COCCCCO[13CH3] 34a_100000740925_200025704644 [1,0,0,0,0,0|1,1,1]=4 414 B7R0.1 COCCCCSC 34a_100011217163_200000210301 [1,0,0,0,0,0|1,0,1]=3 415 B7R0.1 COCCCCSC 62a_100000730899_200000210301 [1,0,0,0,0,0|1,0,1]=3 416 B7R0.1 COCCCCSC 62a_200000210301_100000730899 [1,0,0,0,0,0|1,0,1]=3 417 B7R0.1 COCCCCSC 7a_100011217163_200000210301 [1,0,0,0,0,0|1,0,1]=3 418 B7R0.1 COCCCCS[13CH3] 62a_100000730899_200025704644 [1,0,0,0,0,0|1,0,1]=3 419 B7R0.1 COCCCCS[13CH3] 62a_200025704644_100000730899 [1,0,0,0,0,0|1,0,1]=3 420 B7R0.1 COCCNCSC 2230a_100000209980_100011218213 [1,0,0,0,0,0|2,0,1]=4 421 B7R0.1 COCCOCSC 34a_100000210237_100011218213 [1,0,0,0,0,0|2,0,1]=4 422 B7R0.1 COCCOCSC 62a_100000231047_200000210301 [1,0,0,0,0,0|2,0,1]=4 423 B7R0.1 COCCOCSC 62a_200000210301_100000231047 [1,0,0,0,0,0|2,0,1]=4 424 B7R0.1 COCCOCS[13CH3] 62a_100000231047_200025704644 [1,0,0,0,0,0|2,0,1]=4 425 B7R0.1 COCCOCS[13CH3] 62a_200025704644_100000231047 [1,0,0,0,0,0|2,0,1]=4 426 B7R0.1 COCCSCSC 62a_100000233755_100011218213 [1,0,0,0,0,0|2,0,1]=4 427 B7R0.1 COCCSCSC 62a_100011218213_100000233755 [1,0,0,0,0,0|2,0,1]=4 428 B7R0.1 COCNCCSC 2230a_100020590264_100000766300 [1,0,0,0,0,0|2,0,1]=4 429 B7R0.1 COCSCCSC 62a_100000212216_100000766300 [1,0,0,0,0,0|2,0,1]=4 430 B7R0.1 COCSCCSC 62a_100000766300_100000751147 [1,0,0,0,0,0|2,0,1]=4 431 B7R0.1 CSCCCCC#N 62a_100011219923_200000210301 [1,0,0,0,0,0|1,0,1]=3 432 B7R0.1 CSCCCCC#N 62a_200000210301_100000211819 [1,0,0,0,0,0|1,0,1]=3 433 B7R0.1 CSCCCCC=O 62a_100000139335_200000210301 [1,0,0,0,0,0|0,1,1]=3 434 B7R0.1 CSCCCCC=O 62a_200000210301_100000139335 [1,0,0,0,0,0|0,1,1]=3 435 B7R0.1 CSCCCCCF 62a_100000729378_200000210301 [1,0,0,0,0,0|1,0,1]=3 436 B7R0.1 CSCCCCCF 62a_200000210301_100000729378 [1,0,0,0,0,0|1,0,1]=3 437 B7R0.1 CSCCCCCO 62a_100000746330_200000210301 [1,0,0,0,0,0|0,1,1]=3 438 B7R0.1 CSCCCCCO 62a_200000210301_100000746330 [1,0,0,0,0,0|0,1,1]=3 439 B7R0.1 CSCCCCO[13CH3] 34a_100011217163_200025704644 [1,0,0,0,0,0|1,0,1]=3 440 B7R0.1 CSCCCCO[13CH3] 7a_100011217163_200025704644 [1,0,0,0,0,0|1,0,1]=3 441 B7R0.1 CSCCCOCF 34a_100000690336_100015361967 [1,0,0,0,0,0|2,0,1]=4 442 B7R0.1 CSCCCOCF 7a_100000690336_100015361967 [1,0,0,0,0,0|2,0,1]=4 443 B7R0.1 CSCCNCC#N 2230a_100020590264_100011215382 [1,0,0,0,0,0|2,0,1]=4 444 B7R0.1 CSCCNCC=O 2230a_100020590264_200015260668 [1,0,0,0,0,0|1,1,1]=4 445 B7R0.1 CSCCNCCF 2230a_100020590264_100011217306 [1,0,0,0,0,0|2,0,1]=4 446 B7R0.1 CSCCNCCF 34a_100000724931_100000212216 [1,0,0,0,0,0|2,0,1]=4 447 B7R0.1 CSCCNCCO 2230a_100016997473_100000751147 [1,0,0,0,0,0|1,1,1]=4 448 B7R0.1 CSCCNCCO 2230a_100020590264_100000211926 [1,0,0,0,0,0|1,1,1]=4 449 B7R0.1 CSCCNCCO 34a_100016990907_100000212216 [1,0,0,0,0,0|1,1,1]=4 450 B7R0.1 CSCCNCSC 2230a_100020590264_100011218213 [1,0,0,0,0,0|2,0,1]=4 451 B7R0.1 CSCCOCC#N 62a_200000047693_200000210301 [1,0,0,0,0,0|2,0,1]=4 452 B7R0.1 CSCCOCC#N 62a_200000210301_200000047693 [1,0,0,0,0,0|2,0,1]=4 453 B7R0.1 CSCCOCC#N 7a_100000230434_100011215382 [1,0,0,0,0,0|2,0,1]=4 454 B7R0.1 CSCCOCC=O 34a_100000230434_200009817547 [1,0,0,0,0,0|1,1,1]=4 455 B7R0.1 CSCCOCC=O 7a_100000230434_200015260668 [1,0,0,0,0,0|1,1,1]=4 456 B7R0.1 CSCCOCCBr 34a_100000211926_100000212216 [1,0,0,0,0,0|2,0,1]=4 457 B7R0.1 CSCCOCCF 34a_100000230434_100011217306 [1,0,0,0,0,0|2,0,1]=4 458 B7R0.1 CSCCOCCF 7a_100000230434_100011217306 [1,0,0,0,0,0|2,0,1]=4 459 B7R0.1 CSCCOCCN 34a_100000210304_100000212216 [1,0,0,0,0,0|2,0,1]=4 460 B7R0.1 CSCCOCCO 34a_100000230434_100000211926 [1,0,0,0,0,0|1,1,1]=4 461 B7R0.1 CSCCOCCO 62a_100011215305_200000210301 [1,0,0,0,0,0|1,1,1]=4 462 B7R0.1 CSCCOCCO 62a_200000210301_100011215305 [1,0,0,0,0,0|1,1,1]=4 463 B7R0.1 CSCCOCCO 7a_100000230434_100000211926 [1,0,0,0,0,0|1,1,1]=4 464 B7R0.1 CSCCOCSC 34a_100000230434_100011218213 [1,0,0,0,0,0|2,0,1]=4 465 B7R0.1 CSCCSCC#N 62a_100000212216_100011215382 [1,0,0,0,0,0|2,0,1]=4 466 B7R0.1 CSCCSCC#N 62a_100011215382_100000751147 [1,0,0,0,0,0|2,0,1]=4 467 B7R0.1 CSCCSCC=O 62a_100000212216_200015260668 [1,0,0,0,0,0|1,1,1]=4 468 B7R0.1 CSCCSCC=O 62a_200015260668_100000751147 [1,0,0,0,0,0|1,1,1]=4 469 B7R0.1 CSCCSCCF 62a_100000212216_100011217306 [1,0,0,0,0,0|2,0,1]=4 470 B7R0.1 CSCCSCCF 62a_100011217306_100000751147 [1,0,0,0,0,0|2,0,1]=4 471 B7R0.1 CSCCSCCO 62a_100000211926_100000751147 [1,0,0,0,0,0|1,1,1]=4 472 B7R0.1 CSCCSCCO 62a_100000212216_100000211926 [1,0,0,0,0,0|1,1,1]=4 473 B7R0.1 CSCCSCSC 62a_100000212216_100011218213 [1,0,0,0,0,0|2,0,1]=4 474 B7R0.1 CSCCSCSC 62a_100011218213_100000751147 [1,0,0,0,0,0|2,0,1]=4 475 B7R0.1 CSCNCCCF 2230a_100015189416_100011218213 [1,0,0,0,0,0|2,0,1]=4 476 B7R0.1 CSCNCCCF 34a_100015189416_100011218213 [1,0,0,0,0,0|2,0,1]=4 477 B7R0.1 CSCOCCCBr 34a_100011217188_100011218213 [1,0,0,0,0,0|2,0,1]=4 478 B7R0.1 CSCOCCCCl 34a_100000230001_100011218213 [1,0,0,0,0,0|2,0,1]=4 479 B7R0.1 CSCOCCCF 34a_100000759539_100011218213 [1,0,0,0,0,0|2,0,1]=4 480 B7R0.1 CSCOCCCN 34a_100000182051_100011218213 [1,0,0,0,0,0|2,0,1]=4 481 B7R0.1 CSCOCCON 34a_100000700252_100011218213 [1,0,0,0,0,0|3,0,0]=4 482 B7R0.1 CSCSCCC#N 62a_100011215226_100011218213 [1,0,0,0,0,0|2,0,1]=4 483 B7R0.1 CSCSCCC#N 62a_100011218213_100011215226 [1,0,0,0,0,0|2,0,1]=4 484 B7R0.1 CSCSCCCF 62a_100011218213_100011934791 [1,0,0,0,0,0|2,0,1]=4 485 B7R0.1 CSCSCCCF 62a_100011934791_100011218213 [1,0,0,0,0,0|2,0,1]=4 486 B7R0.1 CSCSCCCO 62a_100011215043_100011218213 [1,0,0,0,0,0|1,1,1]=4 487 B7R0.1 CSCSCCCO 62a_100011218213_100011215043 [1,0,0,0,0,0|1,1,1]=4 488 B7R0.1 [13CH3]NCCCCCO 2230a_100000762737_200025704644 [1,0,0,0,0,0|1,1,1]=4 489 B7R0.1 [13CH3]NCCCCCO 34a_100000762737_200025704644 [1,0,0,0,0,0|1,1,1]=4 490 B7R0.1 [13CH3]NCCCN=[N+]=[N-] 2230a_100000744732_200025704644 [1,0,0,0,0,0|3,0,0]=4 491 B7R0.1 [13CH3]OCCCCCBr 34a_100000746331_200025704644 [1,0,0,0,0,0|1,1,1]=4 492 B7R0.1 [13CH3]OCCCCCBr 7a_100000746331_200025704644 [1,0,0,0,0,0|1,1,1]=4 493 B7R0.1 [13CH3]OCCCCCCl 34a_100000746330_200025704644 [1,0,0,0,0,0|1,1,1]=4 494 B7R0.1 [13CH3]OCCCCCCl 7a_100000746330_200025704644 [1,0,0,0,0,0|1,1,1]=4 495 B7R0.1 [13CH3]OCCCCCI 34a_200012148887_200025704644 [1,0,0,0,0,0|1,1,1]=4 496 B7R0.1 [13CH3]OCCCCCI 7a_200012148887_200025704644 [1,0,0,0,0,0|1,1,1]=4 497 B7R0.1 [13CH3]OCCCCCN 34a_100000762737_200025704644 [1,0,0,0,0,0|1,1,1]=4 498 B7R0.1 [13CH3]SCCCCC#N 62a_100011219923_200025704644 [1,0,0,0,0,0|1,0,1]=3 499 B7R0.1 [13CH3]SCCCCC#N 62a_200025704644_100000211819 [1,0,0,0,0,0|1,0,1]=3 500 B7R0.1 [13CH3]SCCCCC=O 62a_100000139335_200025704644 [1,0,0,0,0,0|0,1,1]=3 501 B7R0.1 [13CH3]SCCCCC=O 62a_200025704644_100000139335 [1,0,0,0,0,0|0,1,1]=3 502 B7R0.1 [13CH3]SCCCCCF 62a_100000729378_200025704644 [1,0,0,0,0,0|1,0,1]=3 503 B7R0.1 [13CH3]SCCCCCF 62a_200025704644_100000729378 [1,0,0,0,0,0|1,0,1]=3 504 B7R0.1 [13CH3]SCCCCCO 62a_100000746330_200025704644 [1,0,0,0,0,0|0,1,1]=3 505 B7R0.1 [13CH3]SCCCCCO 62a_200025704644_100000746330 [1,0,0,0,0,0|0,1,1]=3 506 B7R0.1 [13CH3]SCCOCC#N 62a_200000047693_200025704644 [1,0,0,0,0,0|2,0,1]=4 507 B7R0.1 [13CH3]SCCOCC#N 62a_200025704644_200000047693 [1,0,0,0,0,0|2,0,1]=4 508 B7R0.1 [13CH3]SCCOCCO 62a_100011215305_200025704644 [1,0,0,0,0,0|1,1,1]=4 509 B7R0.1 [13CH3]SCCOCCO 62a_200025704644_100011215305 [1,0,0,0,0,0|1,1,1]=4 510 B9R0.2 CC(=O)CCCCN=[N+]=[N-] 1458a_100000070148_200000210301 [0,1,0,0,0,0|3,0,0]=4 511 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_100000033659_200025704644 [0,1,0,0,0,0|1,1,1]=4 512 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_200025704644_100000033659 [0,1,0,0,0,0|1,1,1]=4 513 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200010402107_200025704644 [0,1,0,0,0,0|1,1,1]=4 514 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200025704644_200010402107 [0,1,0,0,0,0|1,1,1]=4 515 B9R0.2 CC(C)CCCCCS[13CH3] 62a_100000210682_200025704644 [0,1,0,0,0,0|2,0,1]=4 516 B9R0.2 CC(C)CCCCCS[13CH3] 62a_200025704644_100000210682 [0,1,0,0,0,0|2,0,1]=4 517 B9R0.2 CSCCCCCB(O)O 62a_200000210301_200009817188 [0,1,0,0,0,0|2,1,0]=4 518 B9R0.2 CSCCCCCB(O)O 62a_200009817188_200000210301 [0,1,0,0,0,0|2,1,0]=4 519 B9R0.2 CSCCCCCC(=O)N 62a_100009817443_200000210301 [0,1,0,0,0,0|1,1,1]=4 520 B9R0.2 CSCCCCCC(=O)N 62a_200000210301_100009817443 [0,1,0,0,0,0|1,1,1]=4 521 B9R0.2 CSCCCCCC(C)C 62a_100000210682_200000210301 [0,1,0,0,0,0|2,0,1]=4 522 B9R0.2 CSCCCCCC(C)C 62a_200000210301_100000210682 [0,1,0,0,0,0|2,0,1]=4 523 B9R0.2 CSCCCCOC(=O)C 62a_100000033659_200000210301 [0,1,0,0,0,0|1,1,1]=4 524 B9R0.2 CSCCCCOC(=O)C 62a_200000210301_100000033659 [0,1,0,0,0,0|1,1,1]=4 525 B9R0.2 CSCCCCOC(C)C 34a_100011217163_100000210206 [0,1,0,0,0,0|2,0,1]=4 526 B9R0.2 CSCCCCOC(C)C 7a_100011217163_100000210206 [0,1,0,0,0,0|2,0,1]=4 527 B9R0.2 CSCCCCO[N+](=O)[O-] 62a_200000210301_100015694321 [0,1,0,0,0,0|2,1,0]=4 528 B9R0.2 CSCCCCSC(=O)C 62a_200000210301_200010402107 [0,1,0,0,0,0|1,1,1]=4 529 B9R0.2 CSCCCCSC(=O)C 62a_200010402107_200000210301 [0,1,0,0,0,0|1,1,1]=4 530 B9R0.2 [13CH3]C(=O)CCCCN=[N+]=[N-] 1458a_100000070148_200025704644 [0,1,0,0,0,0|3,0,0]=4 531 B9R0.2 [13CH3]SCCCCCB(O)O 62a_200009817188_200025704644 [0,1,0,0,0,0|2,1,0]=4 532 B9R0.2 [13CH3]SCCCCCB(O)O 62a_200025704644_200009817188 [0,1,0,0,0,0|2,1,0]=4 533 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_100009817443_200025704644 [0,1,0,0,0,0|1,1,1]=4 534 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_200025704644_100009817443 [0,1,0,0,0,0|1,1,1]=4 535 B9R0.2 [13CH3]SCCCCO[N+](=O)[O-] 62a_200025704644_100015694321 [0,1,0,0,0,0|2,1,0]=4 536 B9R0.5 CC=NNCC(O)CSC 4a_200000122717_200000210099 [0,1,0,0,0,0|2,0,1]=4 537 B9R0.5 CCNC(C)CCCSC 270004a_100015525214_100011399439 [0,1,0,0,0,0|1,0,2]=4 538 B9R0.18 CCOC[C@@H](N)CCSC 34a_100011827619_100000210202 [0,1,0,0,0,0|2,0,1]=4 539 B9R0.18 CSCC[C@H](N)COCF 34a_100011827619_100015361967 [0,1,0,0,0,0|2,0,1]=4 540 B9R0.45 C#CCCCCCCSC 62a_100012276617_200000210301 [0,1,0,0,0,0|2,0,1]=4 541 B9R0.45 C#CCCCCCCSC 62a_200000210301_100012276617 [0,1,0,0,0,0|2,0,1]=4 542 B9R0.45 C#CCCCCCCS[13CH3] 62a_100012276617_200025704644 [0,1,0,0,0,0|2,0,1]=4 543 B9R0.45 C#CCCCCCCS[13CH3] 62a_200025704644_100012276617 [0,1,0,0,0,0|2,0,1]=4 544 B9R0.45 C#CCCCCCSCC 62a_100000210202_100012094781 [0,1,0,0,0,0|2,0,1]=4 545 B9R0.45 C#CCCCCCSCC 62a_100012094781_100000210202 [0,1,0,0,0,0|2,0,1]=4 546 B9R0.45 C#CCCCCCSCF 62a_100012094781_100015361967 [0,1,0,0,0,0|2,0,1]=4 547 B9R0.45 C#CCCCCCSCF 62a_100015361967_100012094781 [0,1,0,0,0,0|2,0,1]=4 548 B9R0.45 C#CCCCCNCSC 2230a_100000706060_100011218213 [0,1,0,0,0,0|2,0,1]=4 549 B9R0.45 C#CCCCCNCSC 34a_100000706060_100011218213 [0,1,0,0,0,0|2,0,1]=4 550 B9R0.45 C#CCCCCOCSC 34a_100000766709_100011218213 [0,1,0,0,0,0|2,0,1]=4 551 B9R0.45 C#CCCCCSCSC 62a_100010269958_100011218213 [0,1,0,0,0,0|2,0,1]=4 552 B9R0.45 C#CCCCCSCSC 62a_100011218213_100010269958 [0,1,0,0,0,0|2,0,1]=4 553 B9R0.45 C#CCCCNCCSC 2230a_100020590264_100000731252 [0,1,0,0,0,0|2,0,1]=4 554 B9R0.45 C#CCCCNCCSC 34a_100000718082_100000212216 [0,1,0,0,0,0|2,0,1]=4 555 B9R0.45 C#CCCCOCCSC 34a_100000215630_100000212216 [0,1,0,0,0,0|2,0,1]=4 556 B9R0.45 C#CCCCOCCSC 34a_100000230434_100000695029 [0,1,0,0,0,0|2,0,1]=4 557 B9R0.45 C#CCCCOCCSC 7a_100000215630_100000212216 [0,1,0,0,0,0|2,0,1]=4 558 B9R0.45 C#CCCCOCCSC 7a_100000230434_100011215417 [0,1,0,0,0,0|2,0,1]=4 559 B9R0.45 C#CCCCSCCSC 62a_100000212216_100011215417 [0,1,0,0,0,0|2,0,1]=4 560 B9R0.45 C#CCCCSCCSC 62a_100011215417_100000751147 [0,1,0,0,0,0|2,0,1]=4 561 B9R0.45 C#CCCNCCCSC 2230a_100000749238_100000688953 [0,1,0,0,0,0|2,0,1]=4 562 B9R0.45 C#CCCOCCCSC 34a_100000690336_100000688953 [0,1,0,0,0,0|2,0,1]=4 563 B9R0.45 C#CCCOCCCSC 7a_100000690336_100000688953 [0,1,0,0,0,0|2,0,1]=4 564 B9R0.45 C#CCOCCCCSC 34a_100011217163_100000184674 [0,1,0,0,0,0|2,0,1]=4 565 B9R0.45 C#CCOCCCCSC 7a_100011217163_100000038162 [0,1,0,0,0,0|2,0,1]=4 566 B9R0.45 C/C=C/CCOCCSC 34a_100016278192_100000212216 [0,1,0,0,0,0|2,0,1]=4 567 B9R0.45 C/C=C/COCCCSC 34a_100000690336_100102629194 [0,1,0,0,0,0|2,0,1]=4 568 B9R0.45 C/C=C/COCCCSC 7a_100000690336_100102629194 [0,1,0,0,0,0|2,0,1]=4 569 B9R0.45 C=CCCCCCCSC 62a_100011215473_200000210301 [0,1,0,0,0,0|2,0,1]=4 570 B9R0.45 C=CCCCCCCSC 62a_200000210301_100011215473 [0,1,0,0,0,0|2,0,1]=4 571 B9R0.45 C=CCCCCCCS[13CH3] 62a_100011215473_200025704644 [0,1,0,0,0,0|2,0,1]=4 572 B9R0.45 C=CCCCCCCS[13CH3] 62a_200025704644_100011215473 [0,1,0,0,0,0|2,0,1]=4 573 B9R0.45 C=CCCCCCSCC 62a_100000210202_100000700193 [0,1,0,0,0,0|2,0,1]=4 574 B9R0.45 C=CCCCCCSCC 62a_100000700193_100000210202 [0,1,0,0,0,0|2,0,1]=4 575 B9R0.45 C=CCCCCCSCF 62a_100000700193_100015361967 [0,1,0,0,0,0|2,0,1]=4 576 B9R0.45 C=CCCCCCSCF 62a_100015361967_100000700193 [0,1,0,0,0,0|2,0,1]=4 577 B9R0.45 C=CCCCCNCSC 2230a_100000703577_100011218213 [0,1,0,0,0,0|2,0,1]=4 578 B9R0.45 C=CCCCCNCSC 34a_100000703577_100011218213 [0,1,0,0,0,0|2,0,1]=4 579 B9R0.45 C=CCCCCOCSC 34a_100000766645_100011218213 [0,1,0,0,0,0|2,0,1]=4 580 B9R0.45 C=CCCCCSCSC 62a_100011215482_100011218213 [0,1,0,0,0,0|2,0,1]=4 581 B9R0.45 C=CCCCCSCSC 62a_100011218213_100011215482 [0,1,0,0,0,0|2,0,1]=4 582 B9R0.45 C=CCCCNCCSC 2230a_100000700776_100000751147 [0,1,0,0,0,0|2,0,1]=4 583 B9R0.45 C=CCCCNCCSC 2230a_100020590264_100011713584 [0,1,0,0,0,0|2,0,1]=4 584 B9R0.45 C=CCCCNCCSC 34a_100000700776_100000212216 [0,1,0,0,0,0|2,0,1]=4 585 B9R0.45 C=CCCCOCCSC 34a_100000230434_100000757094 [0,1,0,0,0,0|2,0,1]=4 586 B9R0.45 C=CCCCOCCSC 34a_100000758997_100000212216 [0,1,0,0,0,0|2,0,1]=4 587 B9R0.45 C=CCCCOCCSC 7a_100000230434_100000757094 [0,1,0,0,0,0|2,0,1]=4 588 B9R0.45 C=CCCCOCCSC 7a_100000758997_100000212216 [0,1,0,0,0,0|2,0,1]=4 589 B9R0.45 C=CCCCSCCSC 62a_100000212216_100000757094 [0,1,0,0,0,0|2,0,1]=4 590 B9R0.45 C=CCCCSCCSC 62a_100011713584_100000751147 [0,1,0,0,0,0|2,0,1]=4 591 B9R0.45 C=CCCNCCCSC 2230a_100000749238_100000754431 [0,1,0,0,0,0|2,0,1]=4 592 B9R0.45 C=CCCOCCCSC 34a_100000690336_100000754431 [0,1,0,0,0,0|2,0,1]=4 593 B9R0.45 C=CCCOCCCSC 7a_100000690336_100000754431 [0,1,0,0,0,0|2,0,1]=4 594 B9R0.45 C=CCOCCCCSC 34a_100011217163_100015514636 [0,1,0,0,0,0|2,0,1]=4 595 B9R0.45 C=CCOCCCCSC 7a_100011217163_100015514636 [0,1,0,0,0,0|2,0,1]=4 596 B9R0.45 C=COCCCNCSC 2230a_100000210767_100011218213 [0,1,0,0,0,0|2,0,1]=4 597 B9R0.45 C=COCCCNCSC 34a_100000210767_100011218213 [0,1,0,0,0,0|2,0,1]=4 598 B9R0.45 C=COCCNCCSC 2230a_100020590264_100000039644 [0,1,0,0,0,0|2,0,1]=4 599 B9R0.45 C=COCCOCCSC 34a_100000033082_100000212216 [0,1,0,0,0,0|2,0,1]=4 600 B9R0.45 C=COCCOCCSC 34a_100000230434_100000039644 [0,1,0,0,0,0|2,0,1]=4 601 B9R0.45 C=COCCOCCSC 7a_100000230434_100000039644 [0,1,0,0,0,0|2,0,1]=4 602 B9R0.45 C=COCCSCCSC 62a_100000039644_100000751147 [0,1,0,0,0,0|2,0,1]=4 603 B9R0.45 C=COCCSCCSC 62a_100000212216_100000039644 [0,1,0,0,0,0|2,0,1]=4 604 B9R0.45 CC#CCCOCCSC 34a_100000750427_100000212216 [0,1,0,0,0,0|2,0,1]=4 605 B9R0.45 CC#CCNCCCSC 2230a_100000749238_100000748600 [0,1,0,0,0,0|2,0,1]=4 606 B9R0.45 CC#CCOCCCSC 34a_100000690336_100000748600 [0,1,0,0,0,0|2,0,1]=4 607 B9R0.45 CC#CCOCCCSC 7a_100000690336_100000748600 [0,1,0,0,0,0|2,0,1]=4 608 B9R0.45 CC=C=CCCOCSC 34a_100011020354_100011218213 [0,1,0,0,0,0|3,0,0]=4 609 B9R0.45 CC=CCCCOCSC 34a_100020645299_100011218213 [0,1,0,0,0,0|2,0,1]=4 610 B9R0.45 CC=CCNCCCSC 2230a_100000749238_100000070051 [0,1,0,0,0,0|2,0,1]=4 611 B9R0.45 CC=CCOCCCSC 34a_100000690336_100000070051 [0,1,0,0,0,0|2,0,1]=4 612 B9R0.45 CC=CCOCCCSC 7a_100000690336_100000070051 [0,1,0,0,0,0|2,0,1]=4 613 B9R0.45 CCCCCCCCSC 62a_100000210759_200000210301 [0,1,0,0,0,0|2,0,1]=4 614 B9R0.45 CCCCCCCCSC 62a_200000210301_100000210317 [0,1,0,0,0,0|2,0,1]=4 615 B9R0.45 CCCCCCCCS[13CH3] 62a_100000210759_200025704644 [0,1,0,0,0,0|2,0,1]=4 616 B9R0.45 CCCCCCCCS[13CH3] 62a_200025704644_100000210317 [0,1,0,0,0,0|2,0,1]=4 617 B9R0.45 CCCCCCCSCC 62a_100000210202_100000210316 [0,1,0,0,0,0|2,0,1]=4 618 B9R0.45 CCCCCCCSCC 62a_100000210614_100000210202 [0,1,0,0,0,0|2,0,1]=4 619 B9R0.45 CCCCCCCSCF 62a_100000210614_100015361967 [0,1,0,0,0,0|2,0,1]=4 620 B9R0.45 CCCCCCCSCF 62a_100015361967_100000210316 [0,1,0,0,0,0|2,0,1]=4 621 B9R0.45 CCCCCCNCSC 2230a_100000210581_100011218213 [0,1,0,0,0,0|2,0,1]=4 622 B9R0.45 CCCCCCOCSC 34a_100000210259_100011218213 [0,1,0,0,0,0|2,0,1]=4 623 B9R0.45 CCCCCCSCSC 62a_100000210314_100011218213 [0,1,0,0,0,0|2,0,1]=4 624 B9R0.45 CCCCCCSCSC 62a_100011218213_100000210757 [0,1,0,0,0,0|2,0,1]=4 625 B9R0.45 CCCCCNCCSC 2230a_100000209983_100000751147 [0,1,0,0,0,0|2,0,1]=4 626 B9R0.45 CCCCCNCCSC 2230a_100020590264_100000210326 [0,1,0,0,0,0|2,0,1]=4 627 B9R0.45 CCCCCOCCSC 34a_100000210253_100000212216 [0,1,0,0,0,0|2,0,1]=4 628 B9R0.45 CCCCCOCCSC 34a_100000230434_100000718602 [0,1,0,0,0,0|2,0,1]=4 629 B9R0.45 CCCCCOCCSC 7a_100000210253_100000212216 [0,1,0,0,0,0|2,0,1]=4 630 B9R0.45 CCCCCOCCSC 7a_100000230434_100000210326 [0,1,0,0,0,0|2,0,1]=4 631 B9R0.45 CCCCCSCCSC 62a_100000210326_100000751147 [0,1,0,0,0,0|2,0,1]=4 632 B9R0.45 CCCCCSCCSC 62a_100000212216_100000210326 [0,1,0,0,0,0|2,0,1]=4 633 B9R0.45 CCCCNCCCSC 2230a_100000749238_100000210211 [0,1,0,0,0,0|2,0,1]=4 634 B9R0.45 CCCCOCCCSC 34a_100000690336_100000210210 [0,1,0,0,0,0|2,0,1]=4 635 B9R0.45 CCCCOCCCSC 7a_100000690336_100000210211 [0,1,0,0,0,0|2,0,1]=4 636 B9R0.45 CCCNCCCN=[N+]=[N-] 2230a_100000744732_100000210303 [0,1,0,0,0,0|3,0,0]=4 637 B9R0.45 CCCOCCCCSC 34a_100011217163_100000210303 [0,1,0,0,0,0|2,0,1]=4 638 B9R0.45 CCCOCCCCSC 7a_100011217163_100000210303 [0,1,0,0,0,0|2,0,1]=4 639 B9R0.45 CCNCCCCN=[N+]=[N-] 2230a_100000101370_100000210202 [0,1,0,0,0,0|3,0,0]=4 640 B9R0.45 CCOCCCNCSC 2230a_100000210961_100011218213 [0,1,0,0,0,0|2,0,1]=4 641 B9R0.45 CCOCCCNCSC 34a_100000210961_100011218213 [0,1,0,0,0,0|2,0,1]=4 642 B9R0.45 CCOCCCOCSC 34a_100000757476_100011218213 [0,1,0,0,0,0|2,0,1]=4 643 B9R0.45 CCOCCCSCSC 62a_100011218213_100012232248 [0,1,0,0,0,0|2,0,1]=4 644 B9R0.45 CCOCCCSCSC 62a_100012232248_100011218213 [0,1,0,0,0,0|2,0,1]=4 645 B9R0.45 CCOCCNCCSC 2230a_100020590264_100011215890 [0,1,0,0,0,0|2,0,1]=4 646 B9R0.45 CCOCCNCCSC 2230a_102516460346_100000751147 [0,1,0,0,0,0|2,0,1]=4 647 B9R0.45 CCOCCNCCSC 34a_102516460346_100000212216 [0,1,0,0,0,0|2,0,1]=4 648 B9R0.45 CCOCCOCCSC 34a_100000210136_100000212216 [0,1,0,0,0,0|2,0,1]=4 649 B9R0.45 CCOCCOCCSC 34a_100000230434_100000210147 [0,1,0,0,0,0|2,0,1]=4 650 B9R0.45 CCOCCOCCSC 62a_100011211534_200000210301 [0,1,0,0,0,0|2,0,1]=4 651 B9R0.45 CCOCCOCCSC 62a_200000210301_100011211534 [0,1,0,0,0,0|2,0,1]=4 652 B9R0.45 CCOCCOCCSC 7a_100000210136_100000212216 [0,1,0,0,0,0|2,0,1]=4 653 B9R0.45 CCOCCOCCSC 7a_100000230434_100011215890 [0,1,0,0,0,0|2,0,1]=4 654 B9R0.45 CCOCCOCCS[13CH3] 62a_100011211534_200025704644 [0,1,0,0,0,0|2,0,1]=4 655 B9R0.45 CCOCCOCCS[13CH3] 62a_200025704644_100011211534 [0,1,0,0,0,0|2,0,1]=4 656 B9R0.45 CCOCCSCCSC 62a_100000210147_100000751147 [0,1,0,0,0,0|2,0,1]=4 657 B9R0.45 CCOCCSCCSC 62a_100000212216_100011215890 [0,1,0,0,0,0|2,0,1]=4 658 B9R0.45 CCSCCCCCC#N 62a_100000210202_100009813376 [0,1,0,0,0,0|2,0,1]=4 659 B9R0.45 CCSCCCCCC#N 62a_100009813376_100000210202 [0,1,0,0,0,0|2,0,1]=4 660 B9R0.45 CCSCCCCCC=O 62a_100000139337_100000210202 [0,1,0,0,0,0|1,1,1]=4 661 B9R0.45 CCSCCCCCC=O 62a_100000210202_100000139337 [0,1,0,0,0,0|1,1,1]=4 662 B9R0.45 CCSCCCCCCF 62a_100000210202_100015922095 [0,1,0,0,0,0|2,0,1]=4 663 B9R0.45 CCSCCCCCCF 62a_100015922095_100000210202 [0,1,0,0,0,0|2,0,1]=4 664 B9R0.45 CCSCCCCCCO 62a_100000210202_100000766143 [0,1,0,0,0,0|1,1,1]=4 665 B9R0.45 CCSCCCCCCO 62a_100000766143_100000210202 [0,1,0,0,0,0|1,1,1]=4 666 B9R0.45 CCSCCCOCSC 34a_100011216438_100011218213 [0,1,0,0,0,0|2,0,1]=4 667 B9R0.45 CCSCCNCCSC 2230a_100000106463_100000751147 [0,1,0,0,0,0|2,0,1]=4 668 B9R0.45 CCSCCNCCSC 2230a_100020590264_100000757381 [0,1,0,0,0,0|2,0,1]=4 669 B9R0.45 CCSCCOCCSC 34a_100000212035_100000212216 [0,1,0,0,0,0|2,0,1]=4 670 B9R0.45 CCSCCOCCSC 34a_100000230434_100000757381 [0,1,0,0,0,0|2,0,1]=4 671 B9R0.45 CCSCCOCCSC 7a_100000212035_100000212216 [0,1,0,0,0,0|2,0,1]=4 672 B9R0.45 CCSCCOCCSC 7a_100000230434_100000757381 [0,1,0,0,0,0|2,0,1]=4 673 B9R0.45 CCSCCSCCSC 62a_100000212216_100000757381 [0,1,0,0,0,0|2,0,1]=4 674 B9R0.45 CCSCCSCCSC 62a_100000757381_100000751147 [0,1,0,0,0,0|2,0,1]=4 675 B9R0.45 CNCCCOCCSC 34a_100000213112_100000212216 [0,1,0,0,0,0|3,0,0]=4 676 B9R0.45 CNCCOCCN=[N+]=[N-] 2230a_100102953956_200000210301 [0,1,0,0,0,0|3,0,0]=4 677 B9R0.45 COCCCCCCSC 62a_100011998445_200000210301 [0,1,0,0,0,0|1,1,1]=4 678 B9R0.45 COCCCCCCSC 62a_200000210301_100011998445 [0,1,0,0,0,0|1,1,1]=4 679 B9R0.45 COCCCCCCS[13CH3] 62a_100011998445_200025704644 [0,1,0,0,0,0|1,1,1]=4 680 B9R0.45 COCCCCCCS[13CH3] 62a_200025704644_100011998445 [0,1,0,0,0,0|1,1,1]=4 681 B9R0.45 COCCCCOCSC 34a_100000740925_100011218213 [0,1,0,0,0,0|3,0,0]=4 682 B9R0.45 COCCCCSCSC 62a_100000730899_100011218213 [0,1,0,0,0,0|3,0,0]=4 683 B9R0.45 COCCCCSCSC 62a_100011218213_100000730899 [0,1,0,0,0,0|3,0,0]=4 684 B9R0.45 COCCCNCCSC 2230a_100020590264_100000740836 [0,1,0,0,0,0|3,0,0]=4 685 B9R0.45 COCCCNCCSC 34a_100150723488_100000212216 [0,1,0,0,0,0|3,0,0]=4 686 B9R0.45 COCCCOCCSC 34a_100000230434_100000740836 [0,1,0,0,0,0|3,0,0]=4 687 B9R0.45 COCCCOCCSC 34a_100000740835_100000212216 [0,1,0,0,0,0|3,0,0]=4 688 B9R0.45 COCCCOCCSC 7a_100000230434_100000740836 [0,1,0,0,0,0|3,0,0]=4 689 B9R0.45 COCCCSCCSC 62a_100000212216_100000709357 [0,1,0,0,0,0|3,0,0]=4 690 B9R0.45 COCCCSCCSC 62a_100000709357_100000751147 [0,1,0,0,0,0|3,0,0]=4 691 B9R0.45 COCCNCCCSC 2230a_100000749238_100011201679 [0,1,0,0,0,0|3,0,0]=4 692 B9R0.45 COCCOCCCSC 34a_100000690336_100011201679 [0,1,0,0,0,0|3,0,0]=4 693 B9R0.45 COCCOCCCSC 62a_100011216529_200000210301 [0,1,0,0,0,0|3,0,0]=4 694 B9R0.45 COCCOCCCSC 62a_200000210301_100011216529 [0,1,0,0,0,0|3,0,0]=4 695 B9R0.45 COCCOCCCSC 7a_100000690336_100000233755 [0,1,0,0,0,0|3,0,0]=4 696 B9R0.45 COCCOCCCS[13CH3] 62a_100011216529_200025704644 [0,1,0,0,0,0|3,0,0]=4 697 B9R0.45 COCCOCCCS[13CH3] 62a_200025704644_100011216529 [0,1,0,0,0,0|3,0,0]=4 698 B9R0.45 COCNCCCN=[N+]=[N-] 2230a_100000744732_100000766300 [0,1,0,0,0,0|2,1,0]=4 699 B9R0.45 CSCCCCCCC#N 62a_100009813337_200000210301 [0,1,0,0,0,0|2,0,1]=4 700 B9R0.45 CSCCCCCCC#N 62a_200000210301_100009813337 [0,1,0,0,0,0|2,0,1]=4 701 B9R0.45 CSCCCCCCCO 62a_100000760002_200000210301 [0,1,0,0,0,0|1,1,1]=4 702 B9R0.45 CSCCCCCCCO 62a_200000210301_100000760002 [0,1,0,0,0,0|1,1,1]=4 703 B9R0.45 CSCCCCOCC#N 7a_100011217163_100011215382 [0,1,0,0,0,0|2,0,1]=4 704 B9R0.45 CSCCCCOCC=O 34a_100011217163_200009817547 [0,1,0,0,0,0|1,1,1]=4 705 B9R0.45 CSCCCCOCC=O 7a_100011217163_200015260668 [0,1,0,0,0,0|1,1,1]=4 706 B9R0.45 CSCCCCOCCF 34a_100011217163_100011217306 [0,1,0,0,0,0|2,0,1]=4 707 B9R0.45 CSCCCCOCCF 7a_100011217163_100011217306 [0,1,0,0,0,0|2,0,1]=4 708 B9R0.45 CSCCCCOCCO 34a_100011217163_100000211926 [0,1,0,0,0,0|1,1,1]=4 709 B9R0.45 CSCCCCOCCO 7a_100011217163_100000211926 [0,1,0,0,0,0|1,1,1]=4 710 B9R0.45 CSCCCCOCSC 34a_100011217163_100011218213 [0,1,0,0,0,0|1,0,2]=4 711 B9R0.45 CSCCCNCCC#N 2230a_100000749238_100011215226 [0,1,0,0,0,0|2,0,1]=4 712 B9R0.45 CSCCCNCCCF 2230a_100000749238_100011934791 [0,1,0,0,0,0|2,0,1]=4 713 B9R0.45 CSCCCNCCCO 2230a_100000749238_100000230001 [0,1,0,0,0,0|1,1,1]=4 714 B9R0.45 CSCCCNCCSC 2230a_100000749238_100000751147 [0,1,0,0,0,0|3,0,0]=4 715 B9R0.45 CSCCCOCCC#N 7a_100000690336_100000184422 [0,1,0,0,0,0|2,0,1]=4 716 B9R0.45 CSCCCOCCCF 34a_100000690336_100011934791 [0,1,0,0,0,0|2,0,1]=4 717 B9R0.45 CSCCCOCCCF 7a_100000690336_100011934791 [0,1,0,0,0,0|2,0,1]=4 718 B9R0.45 CSCCCOCCCO 34a_100000690336_100000230001 [0,1,0,0,0,0|1,1,1]=4 719 B9R0.45 CSCCCOCCCO 7a_100000690336_100011215043 [0,1,0,0,0,0|1,1,1]=4 720 B9R0.45 CSCCCOCCSC 34a_100000690336_100000212216 [0,1,0,0,0,0|3,0,0]=4 721 B9R0.45 CSCCCOCCSC 7a_100000690336_100000212216 [0,1,0,0,0,0|3,0,0]=4 722 B9R0.45 CSCCNCCCC#N 2230a_100020590264_100000687738 [0,1,0,0,0,0|2,0,1]=4 723 B9R0.45 CSCCNCCCC=O 2230a_100020590264_200011292268 [0,1,0,0,0,0|1,1,1]=4 724 B9R0.45 CSCCNCCCCF 2230a_100020590264_100000729493 [0,1,0,0,0,0|2,0,1]=4 725 B9R0.45 CSCCNCCCCO 2230a_100000750430_100000751147 [0,1,0,0,0,0|1,1,1]=4 726 B9R0.45 CSCCNCCCCO 2230a_100020590264_100000210776 [0,1,0,0,0,0|1,1,1]=4 727 B9R0.45 CSCCNCCCCO 34a_100000750430_100000212216 [0,1,0,0,0,0|1,1,1]=4 728 B9R0.45 CSCCOCCCC#N 7a_100000230434_100000687738 [0,1,0,0,0,0|2,0,1]=4 729 B9R0.45 CSCCOCCCC=O 7a_100000230434_200011292268 [0,1,0,0,0,0|1,1,1]=4 730 B9R0.45 CSCCOCCCCBr 34a_100011216708_100000212216 [0,1,0,0,0,0|2,0,1]=4 731 B9R0.45 CSCCOCCCCCl 34a_100000210776_100000212216 [0,1,0,0,0,0|2,0,1]=4 732 B9R0.45 CSCCOCCCCCl 7a_100000210776_100000212216 [0,1,0,0,0,0|2,0,1]=4 733 B9R0.45 CSCCOCCCCF 34a_100000230434_100000729493 [0,1,0,0,0,0|2,0,1]=4 734 B9R0.45 CSCCOCCCCF 34a_100011995726_100000212216 [0,1,0,0,0,0|2,0,1]=4 735 B9R0.45 CSCCOCCCCF 7a_100000230434_100000729493 [0,1,0,0,0,0|2,0,1]=4 736 B9R0.45 CSCCOCCCCF 7a_100011995726_100000212216 [0,1,0,0,0,0|2,0,1]=4 737 B9R0.45 CSCCOCCCCI 34a_200012148704_100000212216 [0,1,0,0,0,0|2,0,1]=4 738 B9R0.45 CSCCOCCCCN 34a_100000750430_100000212216 [0,1,0,0,0,0|2,0,1]=4 739 B9R0.45 CSCCOCCCCO 34a_100000230434_100011216708 [0,1,0,0,0,0|1,1,1]=4 740 B9R0.45 CSCCOCCCCO 7a_100000230434_100000210776 [0,1,0,0,0,0|1,1,1]=4 741 B9R0.45 CSCCSCCCC#N 62a_100000212216_100000687738 [0,1,0,0,0,0|2,0,1]=4 742 B9R0.45 CSCCSCCCC#N 62a_100000687738_100000751147 [0,1,0,0,0,0|2,0,1]=4 743 B9R0.45 CSCCSCCCC=O 62a_100000212216_200011292268 [0,1,0,0,0,0|1,1,1]=4 744 B9R0.45 CSCCSCCCC=O 62a_200011292268_100000751147 [0,1,0,0,0,0|1,1,1]=4 745 B9R0.45 CSCCSCCCCF 62a_100000212216_100000729493 [0,1,0,0,0,0|2,0,1]=4 746 B9R0.45 CSCCSCCCCF 62a_100000729493_100000751147 [0,1,0,0,0,0|2,0,1]=4 747 B9R0.45 CSCCSCCCCO 62a_100000210776_100000751147 [0,1,0,0,0,0|1,1,1]=4 748 B9R0.45 CSCCSCCCCO 62a_100000212216_100000210776 [0,1,0,0,0,0|1,1,1]=4 749 B9R0.45 CSCCSCCSC#N 62a_100000034367_100000751147 [0,1,0,0,0,0|2,0,1]=4 750 B9R0.45 CSCCSCCSC#N 62a_100000212216_100000034367 [0,1,0,0,0,0|2,0,1]=4 751 B9R0.45 CSCNCCCCCO 2230a_100000762737_100011218213 [0,1,0,0,0,0|1,1,1]=4 752 B9R0.45 CSCNCCCCCO 34a_100000762737_100011218213 [0,1,0,0,0,0|1,1,1]=4 753 B9R0.45 CSCNCCCN=[N+]=[N-] 2230a_100000744732_100011218213 [0,1,0,0,0,0|2,0,0]=3 754 B9R0.45 CSCOCCCCCBr 34a_100000746331_100011218213 [0,1,0,0,0,0|2,0,1]=4 755 B9R0.45 CSCOCCCCCCl 34a_100000746330_100011218213 [0,1,0,0,0,0|2,0,1]=4 756 B9R0.45 CSCOCCCCCI 34a_200012148887_100011218213 [0,1,0,0,0,0|2,0,1]=4 757 B9R0.45 CSCOCCCCCN 34a_100000762737_100011218213 [0,1,0,0,0,0|2,0,1]=4 758 B9R0.45 CSCSCCCCC#N 62a_100011218213_100000211819 [0,1,0,0,0,0|2,0,1]=4 759 B9R0.45 CSCSCCCCC#N 62a_100011219923_100011218213 [0,1,0,0,0,0|2,0,1]=4 760 B9R0.45 CSCSCCCCC=O 62a_100000139335_100011218213 [0,1,0,0,0,0|1,1,1]=4 761 B9R0.45 CSCSCCCCC=O 62a_100011218213_100000139335 [0,1,0,0,0,0|1,1,1]=4 762 B9R0.45 CSCSCCCCCF 62a_100000729378_100011218213 [0,1,0,0,0,0|2,0,1]=4 763 B9R0.45 CSCSCCCCCF 62a_100011218213_100000729378 [0,1,0,0,0,0|2,0,1]=4 764 B9R0.45 CSCSCCCCCO 62a_100000746330_100011218213 [0,1,0,0,0,0|1,1,1]=4 765 B9R0.45 CSCSCCCCCO 62a_100011218213_100000746330 [0,1,0,0,0,0|1,1,1]=4 766 B9R0.45 FCCCCCCSCF 62a_100015361967_100015922095 [0,1,0,0,0,0|2,0,1]=4 767 B9R0.45 FCCCCCCSCF 62a_100015922095_100015361967 [0,1,0,0,0,0|2,0,1]=4 768 B9R0.45 N#CCCCCCSCF 62a_100009813376_100015361967 [0,1,0,0,0,0|2,0,1]=4 769 B9R0.45 N#CCCCCCSCF 62a_100015361967_100009813376 [0,1,0,0,0,0|2,0,1]=4 770 B9R0.45 O=CCCCCCSCF 62a_100000139337_100015361967 [0,1,0,0,0,0|1,1,1]=4 771 B9R0.45 O=CCCCCCSCF 62a_100015361967_100000139337 [0,1,0,0,0,0|1,1,1]=4 772 B9R0.45 OCCCCCCSCF 62a_100000766143_100015361967 [0,1,0,0,0,0|1,1,1]=4 773 B9R0.45 OCCCCCCSCF 62a_100015361967_100000766143 [0,1,0,0,0,0|1,1,1]=4 774 B9R0.45 [13CH3]NCCOCCN=[N+]=[N-] 2230a_100102953956_200025704644 [0,1,0,0,0,0|3,0,0]=4 775 B9R0.45 [13CH3]SCCCCCCC#N 62a_100009813337_200025704644 [0,1,0,0,0,0|2,0,1]=4 776 B9R0.45 [13CH3]SCCCCCCC#N 62a_200025704644_100009813337 [0,1,0,0,0,0|2,0,1]=4 777 B9R0.45 [13CH3]SCCCCCCCO 62a_100000760002_200025704644 [0,1,0,0,0,0|1,1,1]=4 778 B9R0.45 [13CH3]SCCCCCCCO 62a_200025704644_100000760002 [0,1,0,0,0,0|1,1,1]=4 779 B9R0.46 CCCCCCC(C)SC 62a_100011215978_200000210301 [0,1,0,0,0,0|2,0,1]=4 780 B9R0.46 CCCCCCC(C)SC 62a_200000210301_100011215978 [0,1,0,0,0,0|2,0,1]=4 781 B9R0.46 CCCCCCC(C)S[13CH3] 62a_100011215978_200025704644 [0,1,0,0,0,0|2,0,1]=4 782 B9R0.46 CCCCCCC(C)S[13CH3] 62a_200025704644_100011215978 [0,1,0,0,0,0|2,0,1]=4 783 B9R0.46 COC(=O)CCCCSC 62a_100000204269_200000210301 [0,1,0,0,0,0|3,0,0]=4 784 B9R0.46 COC(=O)CCCCSC 62a_200000210301_100000204269 [0,1,0,0,0,0|3,0,0]=4 785 B9R0.46 COC(=O)CCCCS[13CH3] 62a_100000204269_200025704644 [0,1,0,0,0,0|3,0,0]=4 786 B9R0.46 COC(=O)CCCCS[13CH3] 62a_200025704644_100000204269 [0,1,0,0,0,0|3,0,0]=4 787 B9R1.8 CCNC1CCCSC1 270004a_100015525214_100000057913 [0,0,0,1,0,0|1,0,2]=4 788 B9R1.8 CCOC1CCCSC1 7a_100015962668_100000210202 [0,0,0,1,0,0|2,0,1]=4 789 B9R1.8 CSCC1CCCCC1 62a_100000211423_200000210301 [0,0,0,1,0,0|2,0,1]=4 790 B9R1.8 CSCC1CCCCC1 62a_200000210301_100000211423 [0,0,0,1,0,0|2,0,1]=4 791 B9R1.8 CSCC1CCCCO1 62a_100000211543_200000210301 [0,0,0,1,0,0|1,1,1]=4 792 B9R1.8 CSCC1CCCCO1 62a_200000210301_100000211543 [0,0,0,1,0,0|1,1,1]=4 793 B9R1.8 CSCC1CCCOC1 62a_100000741521_200000210301 [0,0,0,1,0,0|3,0,0]=4 794 B9R1.8 CSCC1CCCOC1 62a_200000210301_100000741521 [0,0,0,1,0,0|3,0,0]=4 795 B9R1.8 CSCC1CCOCC1 62a_100000754603_200000210301 [0,0,0,1,0,0|2,0,1]=4 796 B9R1.8 CSCC1CCOCC1 62a_200000210301_100000749018 [0,0,0,1,0,0|2,0,1]=4 797 B9R1.8 FCOC1CCCSC1 7a_100015962668_100015361967 [0,0,0,1,0,0|2,0,1]=4 798 B9R1.8 [13CH3]SCC1CCCCC1 62a_100000211423_200025704644 [0,0,0,1,0,0|2,0,1]=4 799 B9R1.8 [13CH3]SCC1CCCCC1 62a_200025704644_100000211423 [0,0,0,1,0,0|2,0,1]=4 800 B9R1.8 [13CH3]SCC1CCCCO1 62a_100000211543_200025704644 [0,0,0,1,0,0|1,1,1]=4 801 B9R1.8 [13CH3]SCC1CCCCO1 62a_200025704644_100000211543 [0,0,0,1,0,0|1,1,1]=4 802 B9R1.8 [13CH3]SCC1CCCOC1 62a_100000741521_200025704644 [0,0,0,1,0,0|3,0,0]=4 803 B9R1.8 [13CH3]SCC1CCCOC1 62a_200025704644_100000741521 [0,0,0,1,0,0|3,0,0]=4 804 B9R1.8 [13CH3]SCC1CCOCC1 62a_100000754603_200025704644 [0,0,0,1,0,0|2,0,1]=4 805 B9R1.8 [13CH3]SCC1CCOCC1 62a_200025704644_100000749018 [0,0,0,1,0,0|2,0,1]=4 806 B9R1.12 CC=NNC1CCSC1 4a_200000731317_200000210099 [0,0,0,1,0,0|2,0,1]=4 807 B9R1.12 CSCCC1CCCC1 62a_100000760354_200000210301 [0,0,0,1,0,0|2,0,1]=4 808 B9R1.12 CSCCC1CCCC1 62a_200000210301_100000760354 [0,0,0,1,0,0|2,0,1]=4 809 B9R1.12 [13CH3]SCCC1CCCC1 62a_100000760354_200025704644 [0,0,0,1,0,0|2,0,1]=4 810 B9R1.12 [13CH3]SCCC1CCCC1 62a_200025704644_100000760354 [0,0,0,1,0,0|2,0,1]=4 811 B9R1.15 CSC1CCCCC1=O 62a_100000204591_200000210301 [0,0,0,1,0,0|1,1,1]=4 812 B9R1.15 CSC1CCCCC1=O 62a_200000210301_100000204591 [0,0,0,1,0,0|1,1,1]=4 813 B9R1.15 CSC1CCCCC1F 62a_100015423560_200000210301 [0,0,0,1,0,0|2,0,1]=4 814 B9R1.15 CSC1CCCCC1F 62a_200000210301_100015423560 [0,0,0,1,0,0|2,0,1]=4 815 B9R1.15 CSC1CCCCC1O 62a_100000038908_200000210301 [0,0,0,1,0,0|1,1,1]=4 816 B9R1.15 CSC1CCCCC1O 62a_200000210301_100000038908 [0,0,0,1,0,0|1,1,1]=4 817 B9R1.15 CSC1CCCNC1=O 62a_100000687798_200000210301 [0,0,0,1,0,0|0,1,2]=4 818 B9R1.15 CSC1CCCNC1=O 62a_200000210301_100000687798 [0,0,0,1,0,0|0,1,2]=4 819 B9R1.15 [13CH3]SC1CCCCC1=O 62a_100000204591_200025704644 [0,0,0,1,0,0|1,1,1]=4 820 B9R1.15 [13CH3]SC1CCCCC1=O 62a_200025704644_100000204591 [0,0,0,1,0,0|1,1,1]=4 821 B9R1.15 [13CH3]SC1CCCCC1F 62a_100015423560_200025704644 [0,0,0,1,0,0|2,0,1]=4 822 B9R1.15 [13CH3]SC1CCCCC1F 62a_200025704644_100015423560 [0,0,0,1,0,0|2,0,1]=4 823 B9R1.15 [13CH3]SC1CCCCC1O 62a_100000038908_200025704644 [0,0,0,1,0,0|1,1,1]=4 824 B9R1.15 [13CH3]SC1CCCCC1O 62a_200025704644_100000038908 [0,0,0,1,0,0|1,1,1]=4 825 B9R1.15 [13CH3]SC1CCCNC1=O 62a_100000687798_200025704644 [0,0,0,1,0,0|0,1,2]=4 826 B9R1.15 [13CH3]SC1CCCNC1=O 62a_200025704644_100000687798 [0,0,0,1,0,0|0,1,2]=4 827 B9R1.39 CSCCC1CCC1=O 62a_200000210301_200016118888 [0,0,0,1,0,0|1,1,1]=4 828 B9R1.39 CSCCC1CCC1=O 62a_200016118888_200000210301 [0,0,0,1,0,0|1,1,1]=4 829 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200016118888_200025704644 [0,0,0,1,0,0|1,1,1]=4 830 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200025704644_200016118888 [0,0,0,1,0,0|1,1,1]=4 831 B9R1.89 CSC1CCCCCC1 62a_100011217769_200000210301 [0,0,0,1,0,0|2,0,1]=4 832 B9R1.89 CSC1CCCCCC1 62a_200000210301_100011217769 [0,0,0,1,0,0|2,0,1]=4 833 B9R1.89 [13CH3]SC1CCCCCC1 62a_100011217769_200025704644 [0,0,0,1,0,0|2,0,1]=4 834 B9R1.89 [13CH3]SC1CCCCCC1 62a_200025704644_100011217769 [0,0,0,1,0,0|2,0,1]=4 835 B6R0.6 C#CCCCSC 62a_100011215417_200000210301 [2,0,0,0,0,0|0,0,2]=4 836 B6R0.6 C#CCCCSC 62a_200000210301_100011215417 [2,0,0,0,0,0|0,0,2]=4 837 B6R0.6 C#CCCCS[13CH3] 62a_100011215417_200025704644 [2,0,0,0,0,0|0,0,2]=4 838 B6R0.6 C#CCCCS[13CH3] 62a_200025704644_100011215417 [2,0,0,0,0,0|0,0,2]=4 839 B6R0.6 C=CCCCSC 62a_100011713584_200000210301 [2,0,0,0,0,0|0,0,2]=4 840 B6R0.6 C=CCCCSC 62a_200000210301_100000757094 [2,0,0,0,0,0|0,0,2]=4 841 B6R0.6 C=CCCCS[13CH3] 62a_100011713584_200025704644 [2,0,0,0,0,0|0,0,2]=4 842 B6R0.6 C=CCCCS[13CH3] 62a_200025704644_100000757094 [2,0,0,0,0,0|0,0,2]=4 843 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [2,0,0,0,0,0|0,0,2]=4 844 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [2,0,0,0,0,0|0,0,2]=4 845 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [2,0,0,0,0,0|0,0,2]=4 846 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [2,0,0,0,0,0|0,0,2]=4 847 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [2,0,0,0,0,0|0,0,2]=4 848 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [2,0,0,0,0,0|0,1,1]=4 849 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [2,0,0,0,0,0|0,1,1]=4 850 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [2,0,0,0,0,0|0,1,1]=4 851 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [2,0,0,0,0,0|0,1,1]=4 852 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [2,0,0,0,0,0|0,1,1]=4 853 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [2,0,0,0,0,0|0,0,1]=3 854 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [2,0,0,0,0,0|0,0,1]=3 855 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [2,0,0,0,0,0|0,0,1]=3 856 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [2,0,0,0,0,0|0,0,1]=3 857 B6R0.6 CCCOCSC 34a_100000210258_100011218213 [2,0,0,0,0,0|1,0,1]=4 858 B6R0.6 CCCSCSC 62a_100000210303_100011218213 [2,0,0,0,0,0|1,0,1]=4 859 B6R0.6 CCCSCSC 62a_100011218213_100000210303 [2,0,0,0,0,0|1,0,1]=4 860 B6R0.6 CCNCCSC 2230a_100015525214_100000751147 [2,0,0,0,0,0|1,0,1]=4 861 B6R0.6 CCNCCSC 2230a_100020590264_100000210202 [2,0,0,0,0,0|1,0,1]=4 862 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [2,0,0,0,0,0|1,0,1]=4 863 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [2,0,0,0,0,0|1,0,1]=4 864 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [2,0,0,0,0,0|1,0,1]=4 865 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [2,0,0,0,0,0|1,0,1]=4 866 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [2,0,0,0,0,0|1,0,1]=4 867 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [2,0,0,0,0,0|1,0,1]=4 868 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [2,0,0,0,0,0|1,0,1]=4 869 B6R0.6 CCSCCSC 62a_100000210202_100000751147 [2,0,0,0,0,0|1,0,1]=4 870 B6R0.6 CCSCCSC 62a_100000212216_100000210202 [2,0,0,0,0,0|1,0,1]=4 871 B6R0.6 CCSCCSC 62a_100000757381_200000210301 [2,0,0,0,0,0|1,0,1]=4 872 B6R0.6 CCSCCSC 62a_200000210301_100000757381 [2,0,0,0,0,0|1,0,1]=4 873 B6R0.6 CCSCCS[13CH3] 62a_100000757381_200025704644 [2,0,0,0,0,0|1,0,1]=4 874 B6R0.6 CCSCCS[13CH3] 62a_200025704644_100000757381 [2,0,0,0,0,0|1,0,1]=4 875 B6R0.6 CNCCCCF 2230a_106832991635_100000729493 [2,0,0,0,0,0|2,0,0]=4 876 B6R0.6 CNCCCCF 34a_100102657272_100000729493 [2,0,0,0,0,0|2,0,0]=4 877 B6R0.6 CNCCCCF 7a_106832991635_100000729493 [2,0,0,0,0,0|2,0,0]=4 878 B6R0.6 CNCCCCO 2230a_100000750430_200000210301 [2,0,0,0,0,0|1,1,0]=4 879 B6R0.6 CNCCCCO 2230a_106832991635_100000210776 [2,0,0,0,0,0|1,1,0]=4 880 B6R0.6 CNCCCCO 34a_100000750430_200000210301 [2,0,0,0,0,0|1,1,0]=4 881 B6R0.6 CNCCCCO 34a_100102657272_100011216708 [2,0,0,0,0,0|1,1,0]=4 882 B6R0.6 CNCCCCO 7a_106832991635_100000210776 [2,0,0,0,0,0|1,1,0]=4 883 B6R0.6 CNCCCSC 2230a_100000749238_200000210301 [2,0,0,0,0,0|0,0,2]=4 884 B6R0.6 COCCCCBr 34a_100011216708_200000210301 [2,0,0,0,0,0|1,1,0]=4 885 B6R0.6 COCCCCCl 34a_100000210776_200000210301 [2,0,0,0,0,0|1,1,0]=4 886 B6R0.6 COCCCCCl 7a_100000210776_200000210301 [2,0,0,0,0,0|1,1,0]=4 887 B6R0.6 COCCCCF 34a_100011995726_200000210301 [2,0,0,0,0,0|1,1,0]=4 888 B6R0.6 COCCCCF 34a_100138415774_100000729493 [2,0,0,0,0,0|1,1,0]=4 889 B6R0.6 COCCCCF 7a_100011995726_200000210301 [2,0,0,0,0,0|1,1,0]=4 890 B6R0.6 COCCCCI 34a_200012148704_200000210301 [2,0,0,0,0,0|1,1,0]=4 891 B6R0.6 COCCCCN 34a_100000750430_200000210301 [2,0,0,0,0,0|0,1,1]=4 892 B6R0.6 COCCCCO 34a_100138415774_100011216708 [2,0,0,0,0,0|0,2,0]=4 893 B6R0.6 COCCCSC 34a_100000690336_200000210301 [2,0,0,0,0,0|1,0,1]=4 894 B6R0.6 COCCCSC 62a_100000709357_200000210301 [2,0,0,0,0,0|1,0,1]=4 895 B6R0.6 COCCCSC 62a_200000210301_100000709357 [2,0,0,0,0,0|1,0,1]=4 896 B6R0.6 COCCCSC 7a_100000690336_200000210301 [2,0,0,0,0,0|1,0,1]=4 897 B6R0.6 COCCCS[13CH3] 62a_100000709357_200025704644 [2,0,0,0,0,0|1,0,1]=4 898 B6R0.6 COCCCS[13CH3] 62a_200025704644_100000709357 [2,0,0,0,0,0|1,0,1]=4 899 B6R0.6 CSCCCC#N 62a_100000687738_200000210301 [2,0,0,0,0,0|0,0,2]=4 900 B6R0.6 CSCCCC#N 62a_200000210301_100000687738 [2,0,0,0,0,0|0,0,2]=4 901 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [2,0,0,0,0,0|0,1,1]=4 902 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [2,0,0,0,0,0|0,1,1]=4 903 B6R0.6 CSCCCCF 62a_100000729493_200000210301 [2,0,0,0,0,0|1,0,0]=3 904 B6R0.6 CSCCCCF 62a_200000210301_100000729493 [2,0,0,0,0,0|1,0,0]=3 905 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [2,0,0,0,0,0|0,1,0]=3 906 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [2,0,0,0,0,0|0,1,0]=3 907 B6R0.6 CSCCCN[13CH3] 2230a_100000749238_200025704644 [2,0,0,0,0,0|0,0,2]=4 908 B6R0.6 CSCCCO[13CH3] 34a_100000690336_200025704644 [2,0,0,0,0,0|1,0,1]=4 909 B6R0.6 CSCCCO[13CH3] 7a_100000690336_200025704644 [2,0,0,0,0,0|1,0,1]=4 910 B6R0.6 CSCCOCF 34a_100000230434_100015361967 [2,0,0,0,0,0|2,0,0]=4 911 B6R0.6 CSCCOCF 7a_100000230434_100015361967 [2,0,0,0,0,0|2,0,0]=4 912 B6R0.6 CSCCSCF 62a_100000212216_100015361967 [2,0,0,0,0,0|2,0,0]=4 913 B6R0.6 CSCCSCF 62a_100015361967_100000751147 [2,0,0,0,0,0|2,0,0]=4 914 B6R0.6 CSCNCCF 34a_100000724931_100011218213 [2,0,0,0,0,0|2,0,0]=4 915 B6R0.6 CSCNCCO 2230a_100016997473_100011218213 [2,0,0,0,0,0|1,1,0]=4 916 B6R0.6 CSCNCCO 34a_100016990907_100011218213 [2,0,0,0,0,0|1,1,0]=4 917 B6R0.6 CSCOCCBr 34a_100000211926_100011218213 [2,0,0,0,0,0|2,0,0]=4 918 B6R0.6 CSCOCCN 34a_100000210304_100011218213 [2,0,0,0,0,0|1,0,1]=4 919 B6R0.6 CSCSCCF 62a_100011217306_100011218213 [2,0,0,0,0,0|2,0,0]=4 920 B6R0.6 CSCSCCF 62a_100011218213_100011217306 [2,0,0,0,0,0|2,0,0]=4 921 B6R0.6 CSCSCCO 62a_100000211926_100011218213 [2,0,0,0,0,0|1,1,0]=4 922 B6R0.6 CSCSCCO 62a_100011218213_100000211926 [2,0,0,0,0,0|1,1,0]=4 923 B6R0.6 [13CH3]NCCCCO 2230a_100000750430_200025704644 [2,0,0,0,0,0|1,1,0]=4 924 B6R0.6 [13CH3]NCCCCO 34a_100000750430_200025704644 [2,0,0,0,0,0|1,1,0]=4 925 B6R0.6 [13CH3]OCCCCBr 34a_100011216708_200025704644 [2,0,0,0,0,0|1,1,0]=4 926 B6R0.6 [13CH3]OCCCCCl 34a_100000210776_200025704644 [2,0,0,0,0,0|1,1,0]=4 927 B6R0.6 [13CH3]OCCCCCl 7a_100000210776_200025704644 [2,0,0,0,0,0|1,1,0]=4 928 B6R0.6 [13CH3]OCCCCF 34a_100011995726_200025704644 [2,0,0,0,0,0|1,1,0]=4 929 B6R0.6 [13CH3]OCCCCF 7a_100011995726_200025704644 [2,0,0,0,0,0|1,1,0]=4 930 B6R0.6 [13CH3]OCCCCI 34a_200012148704_200025704644 [2,0,0,0,0,0|1,1,0]=4 931 B6R0.6 [13CH3]OCCCCN 34a_100000750430_200025704644 [2,0,0,0,0,0|0,1,1]=4 932 B6R0.6 [13CH3]SCCCC#N 62a_100000687738_200025704644 [2,0,0,0,0,0|0,0,2]=4 933 B6R0.6 [13CH3]SCCCC#N 62a_200025704644_100000687738 [2,0,0,0,0,0|0,0,2]=4 934 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [2,0,0,0,0,0|0,1,1]=4 935 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [2,0,0,0,0,0|0,1,1]=4 936 B6R0.6 [13CH3]SCCCCF 62a_100000729493_200025704644 [2,0,0,0,0,0|1,0,0]=3 937 B6R0.6 [13CH3]SCCCCF 62a_200025704644_100000729493 [2,0,0,0,0,0|1,0,0]=3 938 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [2,0,0,0,0,0|0,1,0]=3 939 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [2,0,0,0,0,0|0,1,0]=3 940 B8R0.1 COC[C@@H](N)CCSC 34a_100011827619_200000210301 [1,1,0,0,0,0|1,0,1]=4 941 B8R0.1 CSCC[C@H](N)CO[13CH3] 34a_100011827619_200025704644 [1,1,0,0,0,0|1,0,1]=4 942 B8R0.6 CCCCCC(C)SC 62a_200000210301_200011218191 [1,1,0,0,0,0|1,0,1]=4 943 B8R0.6 CCCCCC(C)SC 62a_200011218191_200000210301 [1,1,0,0,0,0|1,0,1]=4 944 B8R0.6 CCCCCC(C)S[13CH3] 62a_200011218191_200025704644 [1,1,0,0,0,0|1,0,1]=4 945 B8R0.6 CCCCCC(C)S[13CH3] 62a_200025704644_200011218191 [1,1,0,0,0,0|1,0,1]=4 946 B8R0.6 CNC(C)CCCSC 270004a_106832991635_100011399439 [1,1,0,0,0,0|0,0,2]=4 947 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [1,1,0,0,0,0|0,1,1]=4 948 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [1,1,0,0,0,0|0,1,1]=4 949 B8R0.7 CC(=S)OCCCS[13CH3] 62a_200025704644_200135323944 [1,1,0,0,0,0|1,0,1]=4 950 B8R0.7 CC(=S)OCCCS[13CH3] 62a_200135323944_200025704644 [1,1,0,0,0,0|1,0,1]=4 951 B8R0.7 CC(C)CCCCS[13CH3] 62a_100011216152_200025704644 [1,1,0,0,0,0|1,0,1]=4 952 B8R0.7 CC(C)CCCCS[13CH3] 62a_200025704644_100011216152 [1,1,0,0,0,0|1,0,1]=4 953 B8R0.7 CN(C)CCCCS[13CH3] 62a_200025704644_100000690147 [1,1,0,0,0,0|0,0,2]=4 954 B8R0.7 CSCCCCB(O)O 62a_200000210301_200009817182 [1,1,0,0,0,0|1,1,0]=4 955 B8R0.7 CSCCCCB(O)O 62a_200009817182_200000210301 [1,1,0,0,0,0|1,1,0]=4 956 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [1,1,0,0,0,0|0,1,1]=4 957 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [1,1,0,0,0,0|0,1,1]=4 958 B8R0.7 CSCCCCC(C)C 62a_100011216152_200000210301 [1,1,0,0,0,0|1,0,1]=4 959 B8R0.7 CSCCCCC(C)C 62a_200000210301_100011216152 [1,1,0,0,0,0|1,0,1]=4 960 B8R0.7 CSCCCCN(C)C 62a_200000210301_100000690147 [1,1,0,0,0,0|0,0,2]=4 961 B8R0.7 CSCCCOC(=S)C 62a_200000210301_200135323944 [1,1,0,0,0,0|1,0,1]=4 962 B8R0.7 CSCCCOC(=S)C 62a_200135323944_200000210301 [1,1,0,0,0,0|1,0,1]=4 963 B8R0.7 [13CH3]SCCCCB(O)O 62a_200009817182_200025704644 [1,1,0,0,0,0|1,1,0]=4 964 B8R0.7 [13CH3]SCCCCB(O)O 62a_200025704644_200009817182 [1,1,0,0,0,0|1,1,0]=4 965 B10R0.4 CSCSCCCOC(=S)C 62a_100011218213_200135323944 [0,2,0,0,0,0|1,0,1]=4 966 B10R0.4 CSCSCCCOC(=S)C 62a_200135323944_100011218213 [0,2,0,0,0,0|1,0,1]=4 967 B10R0.91 CSCCC(=O)CCN=[N+]=[N-] 1458a_100000688302_100000751147 [0,2,0,0,0,0|2,0,0]=4 968 B10R0.71 CC=C=CCCOCCSC 34a_100011020354_100000212216 [0,2,0,0,0,0|2,0,0]=4 969 B10R0.71 CSCCNCCCN=[N+]=[N-] 2230a_100000744732_100000751147 [0,2,0,0,0,0|2,0,0]=4 970 B10R0.71 CSCNCCCCN=[N+]=[N-] 2230a_100000101370_100011218213 [0,2,0,0,0,0|2,0,0]=4 971 B8R1.2 CNC1CCCSC1 270004a_106832991635_100000057913 [1,0,0,1,0,0|0,0,2]=4 972 B8R1.2 COC1CCCSC1 7a_100015962668_200000210301 [1,0,0,1,0,0|1,0,1]=4 973 B8R1.2 CSC1C=CCCC1 62a_100000751183_200000210301 [1,0,0,1,0,0|1,0,1]=4 974 B8R1.2 CSC1C=CCCC1 62a_200000210301_100000751183 [1,0,0,1,0,0|1,0,1]=4 975 B8R1.2 CSC1CCCCC1 62a_100000210327_200000210301 [1,0,0,1,0,0|1,0,1]=4 976 B8R1.2 CSC1CCCCC1 62a_200000210301_100000210327 [1,0,0,1,0,0|1,0,1]=4 977 B8R1.2 CSC1CCCOC1 62a_200000210301_100000693364 [1,0,0,1,0,0|1,0,1]=4 978 B8R1.2 [13CH3]OC1CCCSC1 7a_100015962668_200025704644 [1,0,0,1,0,0|1,0,1]=4 979 B8R1.2 [13CH3]SC1C=CCCC1 62a_100000751183_200025704644 [1,0,0,1,0,0|1,0,1]=4 980 B8R1.2 [13CH3]SC1C=CCCC1 62a_200025704644_100000751183 [1,0,0,1,0,0|1,0,1]=4 981 B8R1.2 [13CH3]SC1CCCCC1 62a_100000210327_200025704644 [1,0,0,1,0,0|1,0,1]=4 982 B8R1.2 [13CH3]SC1CCCCC1 62a_200025704644_100000210327 [1,0,0,1,0,0|1,0,1]=4 983 B8R1.2 [13CH3]SC1CCCOC1 62a_200025704644_100000693364 [1,0,0,1,0,0|1,0,1]=4 984 B8R1.8 CSCC1CCCC1 62a_100000740388_200000210301 [1,0,0,1,0,0|1,0,1]=4 985 B8R1.8 CSCC1CCCC1 62a_200000210301_100000740388 [1,0,0,1,0,0|1,0,1]=4 986 B8R1.8 CSCC1CCCO1 62a_100000203698_200000210301 [1,0,0,1,0,0|0,1,1]=4 987 B8R1.8 CSCC1CCCO1 62a_200000210301_100000203698 [1,0,0,1,0,0|0,1,1]=4 988 B8R1.8 CSCC1CCOC1 62a_100000702531_200000210301 [1,0,0,1,0,0|1,0,1]=4 989 B8R1.8 CSCC1CCOC1 62a_200000210301_100000702531 [1,0,0,1,0,0|1,0,1]=4 990 B8R1.8 [13CH3]SCC1CCCC1 62a_100000740388_200025704644 [1,0,0,1,0,0|1,0,1]=4 991 B8R1.8 [13CH3]SCC1CCCC1 62a_200025704644_100000740388 [1,0,0,1,0,0|1,0,1]=4 992 B8R1.8 [13CH3]SCC1CCCO1 62a_100000203698_200025704644 [1,0,0,1,0,0|0,1,1]=4 993 B8R1.8 [13CH3]SCC1CCCO1 62a_200025704644_100000203698 [1,0,0,1,0,0|0,1,1]=4 994 B8R1.8 [13CH3]SCC1CCOC1 62a_100000702531_200025704644 [1,0,0,1,0,0|1,0,1]=4 995 B8R1.8 [13CH3]SCC1CCOC1 62a_200025704644_100000702531 [1,0,0,1,0,0|1,0,1]=4 996 B8R1.11 CSC1CCCC1=O 62a_100000211823_200000210301 [1,0,0,1,0,0|0,1,1]=4 997 B8R1.11 CSC1CCCC1=O 62a_200000210301_100000211823 [1,0,0,1,0,0|0,1,1]=4 998 B8R1.11 CS[C@@H]1CCC[C@H]1O 62a_200000210301_200016002552 [1,0,0,1,0,0|0,1,1]=4 999 B8R1.11 CS[C@@H]1CCC[C@H]1O 62a_200016002552_200000210301 [1,0,0,1,0,0|0,1,1]=4 1000 B8R1.11 [13CH3]SC1CCCC1=O 62a_100000211823_200025704644 [1,0,0,1,0,0|0,1,1]=4 1001 B8R1.11 [13CH3]SC1CCCC1=O 62a_200025704644_100000211823 [1,0,0,1,0,0|0,1,1]=4 1002 B8R1.11 [13CH3]S[C@@H]1CCC[C@H]1O 62a_200016002552_200025704644 [1,0,0,1,0,0|0,1,1]=4 1003 B8R1.11 [13CH3]S[C@@H]1CCC[C@H]1O 62a_200025704644_200016002552 [1,0,0,1,0,0|0,1,1]=4 1004 B8R1.36 CSCCCC1CO1 62a_100000733510_200000210301 [1,0,0,1,0,0|0,1,1]=4 1005 B8R1.36 CSCCCC1CO1 62a_200000210301_100000733510 [1,0,0,1,0,0|0,1,1]=4 1006 B8R1.36 [13CH3]SCCCC1CO1 62a_100000733510_200025704644 [1,0,0,1,0,0|0,1,1]=4 1007 B8R1.36 [13CH3]SCCCC1CO1 62a_200025704644_100000733510 [1,0,0,1,0,0|0,1,1]=4