0 B6R1.2 CN1CCCC1 2230a_100000188435_200000210301 [0,0,0,0,0,0|4,0,0]=4 1 B6R1.2 CN1CCCC1 269982a_100000188435_200000210301 [0,0,0,0,0,0|4,0,0]=4 2 B6R1.2 Oc1c[nH]cn1 271570a_203496583355_100000756875 [0,0,0,0,0,0|3,0,1]=4 3 B6R1.2 Oc1cc[nH]n1 271570a_203496583355_100000062575 [0,0,0,0,0,0|3,0,1]=4 4 B6R1.2 Oc1cccs1 271570a_203496583355_100011215356 [0,0,0,0,0,0|2,0,2]=4 5 B6R1.2 Oc1ccsn1 271570a_203496583355_100009818082 [0,0,0,0,0,0|3,0,1]=4 6 B6R1.2 Oc1cncs1 271570a_203496583355_100011934649 [0,0,0,0,0,0|3,0,1]=4 7 B6R1.2 Oc1cscn1 271570a_203496583355_100000751502 [0,0,0,0,0,0|3,0,1]=4 8 B6R1.2 Oc1nc[nH]n1 271570a_203496583355_100000761765 [0,0,0,0,0,0|3,0,1]=4 9 B6R1.2 Oc1ncc[nH]1 271570a_203496583355_100025796157 [0,0,0,0,0,0|2,0,2]=4 10 B6R1.2 Oc1ncco1 271570a_203496583355_100011787736 [0,0,0,0,0,0|1,1,2]=4 11 B6R1.2 Oc1nccs1 271570a_203496583355_100000211983 [0,0,0,0,0,0|1,0,2]=3 12 B6R1.2 Oc1ncns1 271570a_203496583355_100000693119 [0,0,0,0,0,0|2,0,1]=3 13 B6R1.2 Oc1nncs1 271570a_203496583355_100000739804 [0,0,0,0,0,0|2,0,1]=3 14 B6R1.2 [13CH3]N1CCCC1 2230a_100000188435_200025704644 [0,0,0,0,0,0|4,0,0]=4 15 B6R1.2 [13CH3]N1CCCC1 269982a_100000188435_200025704644 [0,0,0,0,0,0|4,0,0]=4 16 B7R1.1 C=Cc1nccs1 271570a_100011290941_100000211983 [0,1,0,0,0,0|1,0,2]=4 17 B7R1.1 C=Cc1ncns1 271570a_100011290941_100000693119 [0,1,0,0,0,0|2,0,1]=4 18 B7R1.1 C=Cc1nncs1 271570a_100011290941_100000739804 [0,1,0,0,0,0|2,0,1]=4 19 B7R1.1 CNC1CCCC1 2230a_100000211070_200000210301 [0,1,0,0,0,0|2,0,1]=4 20 B7R1.1 CNC1CCCC1 2230a_106832991635_100000179811 [0,1,0,0,0,0|2,0,1]=4 21 B7R1.1 CNC1CCCC1 270004a_106832991635_100000210133 [0,1,0,0,0,0|2,0,1]=4 22 B7R1.1 CNC1CCCC1 34a_100000211070_200000210301 [0,1,0,0,0,0|2,0,1]=4 23 B7R1.1 CNC1CCCC1 34a_100102657272_100000179811 [0,1,0,0,0,0|2,0,1]=4 24 B7R1.1 CNC1CCCC1 7a_106832991635_100000179811 [0,1,0,0,0,0|2,0,1]=4 25 B7R1.1 CNc1ncns1 27a_100102657272_100000693119 [0,1,0,0,0,0|1,0,1]=3 26 B7R1.1 CNc1nncs1 27a_100102657272_100000739804 [0,1,0,0,0,0|1,0,1]=3 27 B7R1.1 CSc1nccs1 62a_100000211983_200000210301 [0,1,0,0,0,0|1,0,2]=4 28 B7R1.1 CSc1nccs1 62a_200000210301_100000211983 [0,1,0,0,0,0|1,0,2]=4 29 B7R1.1 CSc1ncns1 62a_100000693119_200000210301 [0,1,0,0,0,0|2,0,1]=4 30 B7R1.1 CSc1ncns1 62a_200000210301_100000693119 [0,1,0,0,0,0|2,0,1]=4 31 B7R1.1 CSc1nncs1 62a_100000739804_200000210301 [0,1,0,0,0,0|2,0,1]=4 32 B7R1.1 CSc1nncs1 62a_200000210301_100000739804 [0,1,0,0,0,0|2,0,1]=4 33 B7R1.1 [13CH3]NC1CCCC1 2230a_100000211070_200025704644 [0,1,0,0,0,0|2,0,1]=4 34 B7R1.1 [13CH3]NC1CCCC1 34a_100000211070_200025704644 [0,1,0,0,0,0|2,0,1]=4 35 B7R1.1 [13CH3]Sc1nccs1 62a_100000211983_200025704644 [0,1,0,0,0,0|1,0,2]=4 36 B7R1.1 [13CH3]Sc1nccs1 62a_200025704644_100000211983 [0,1,0,0,0,0|1,0,2]=4 37 B7R1.1 [13CH3]Sc1ncns1 62a_100000693119_200025704644 [0,1,0,0,0,0|2,0,1]=4 38 B7R1.1 [13CH3]Sc1ncns1 62a_200025704644_100000693119 [0,1,0,0,0,0|2,0,1]=4 39 B7R1.1 [13CH3]Sc1nncs1 62a_100000739804_200025704644 [0,1,0,0,0,0|2,0,1]=4 40 B7R1.1 [13CH3]Sc1nncs1 62a_200025704644_100000739804 [0,1,0,0,0,0|2,0,1]=4 41 B7R1.2 Cc1cnc(s1)O 271570a_203496583355_100000690809 [0,1,0,0,0,0|1,0,2]=4 42 B7R1.2 Cc1csc(n1)O 271570a_203496583355_100011291629 [0,1,0,0,0,0|1,0,2]=4 43 B7R1.2 Cc1nc(cs1)O 271570a_203496583355_100011934587 [0,1,0,0,0,0|1,0,2]=4 44 B7R1.2 Cc1ncc(s1)O 271570a_203496583355_100000764884 [0,1,0,0,0,0|1,0,2]=4 45 B7R1.2 Cc1nnc(s1)O 271570a_203496583355_100000686958 [0,1,0,0,0,0|2,0,1]=4 46 B7R1.2 Cc1nsc(n1)O 271570a_203496583355_100000709739 [0,1,0,0,0,0|2,0,1]=4 47 B7R1.2 Nc1csc(n1)O 271570a_203496583355_200015188442 [0,1,0,0,0,0|1,0,2]=4 48 B7R1.2 Nc1nc(cs1)O 271570a_203496583355_100011998049 [0,1,0,0,0,0|0,0,2]=3 49 B7R1.2 Nc1nc(n[nH]1)O 271570a_203496583355_100015184587 [0,1,0,0,0,0|2,0,1]=4 50 B7R1.2 Nc1nnc(s1)O 271570a_203496583355_100000738278 [0,1,0,0,0,0|1,0,1]=3 51 B7R1.2 Oc1nc(cs1)Br 271570a_203496583355_200016082925 [0,1,0,0,0,0|1,0,2]=4 52 B7R1.4 CC1SCCN1C 2230a_200011216479_200000210301 [0,1,0,0,0,0|1,0,2]=4 53 B7R1.4 CC1SCCN1C 269982a_200011216479_200000210301 [0,1,0,0,0,0|1,0,2]=4 54 B7R1.4 CC1SCCN1C 34a_200011216479_200000210301 [0,1,0,0,0,0|1,0,2]=4 55 B7R1.4 CC1SCCN1[13CH3] 2230a_200011216479_200025704644 [0,1,0,0,0,0|1,0,2]=4 56 B7R1.4 CC1SCCN1[13CH3] 269982a_200011216479_200025704644 [0,1,0,0,0,0|1,0,2]=4 57 B7R1.4 CC1SCCN1[13CH3] 34a_200011216479_200025704644 [0,1,0,0,0,0|1,0,2]=4 58 B7R1.4 Nc1n[nH]cc1O 271570a_203496583355_100000717100 [0,1,0,0,0,0|2,0,1]=4 59 B7R1.4 Nc1nocc1O 271570a_203496583355_100012597345 [0,1,0,0,0,0|2,0,1]=4 60 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [0,0,1,0,0,0|2,1,0]=4 61 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [0,0,1,0,0,0|2,1,0]=4 62 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [0,0,1,0,0,0|2,1,0]=4 63 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [0,0,1,0,0,0|1,1,1]=4 64 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [0,0,1,0,0,0|1,1,1]=4 65 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [0,0,1,0,0,0|1,1,1]=4 66 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [0,0,1,0,0,0|2,0,1]=4 67 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [0,0,1,0,0,0|2,0,1]=4 68 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [0,0,1,0,0,0|2,1,0]=4 69 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [0,0,1,0,0,0|2,1,0]=4 70 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [0,0,1,0,0,0|2,1,0]=4 71 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [0,0,1,0,0,0|2,1,0]=4 72 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [0,0,1,0,0,0|2,1,0]=4 73 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [0,0,1,0,0,0|2,1,0]=4 74 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [0,0,1,0,0,0|2,1,0]=4 75 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [0,0,1,0,0,0|2,1,0]=4 76 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [0,0,1,0,0,0|2,1,0]=4 77 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [0,0,1,0,0,0|2,1,0]=4 78 B5R0.2 CC=NNCC 4a_100000756455_200000210099 [0,0,1,0,0,0|3,0,0]=4 79 B5R0.2 CCCSCC 62a_100000210202_100000210303 [0,0,1,0,0,0|2,0,1]=4 80 B5R0.2 CCCSCC 62a_100000210303_100000210202 [0,0,1,0,0,0|2,0,1]=4 81 B5R0.2 CCCSCF 62a_100000210303_100015361967 [0,0,1,0,0,0|2,0,1]=4 82 B5R0.2 CCCSCF 62a_100015361967_100000210303 [0,0,1,0,0,0|2,0,1]=4 83 B5R0.2 CCSCCF 62a_100000210202_100011217306 [0,0,1,0,0,0|2,0,1]=4 84 B5R0.2 CCSCCF 62a_100011217306_100000210202 [0,0,1,0,0,0|2,0,1]=4 85 B5R0.2 CCSCCO 62a_100000210202_100000211926 [0,0,1,0,0,0|2,0,1]=4 86 B5R0.2 CCSCCO 62a_100000211926_100000210202 [0,0,1,0,0,0|2,0,1]=4 87 B5R0.2 FCCSCF 62a_100011217306_100015361967 [0,0,1,0,0,0|2,0,1]=4 88 B5R0.2 FCCSCF 62a_100015361967_100011217306 [0,0,1,0,0,0|2,0,1]=4 89 B5R0.2 OCCSCF 62a_100000211926_100015361967 [0,0,1,0,0,0|2,0,1]=4 90 B5R0.2 OCCSCF 62a_100015361967_100000211926 [0,0,1,0,0,0|2,0,1]=4 91 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [0,0,1,0,0,0|3,0,0]=4 92 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [0,0,1,0,0,0|2,0,1]=4 93 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [0,0,1,0,0,0|2,0,1]=4 94 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [0,0,1,0,0,0|2,0,1]=4 95 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [0,0,1,0,0,0|2,0,1]=4 96 B5R0.3 CCC(C)SC 62a_100000758301_200000210301 [0,0,1,0,0,0|2,0,1]=4 97 B5R0.3 CCC(C)SC 62a_200000210301_100000758301 [0,0,1,0,0,0|2,0,1]=4 98 B5R0.3 CCC(C)S[13CH3] 62a_100000758301_200025704644 [0,0,1,0,0,0|2,0,1]=4 99 B5R0.3 CCC(C)S[13CH3] 62a_200025704644_100000758301 [0,0,1,0,0,0|2,0,1]=4 100 B5R0.3 CNC(=O)NC 2708a_100102657272_106832991635 [0,0,1,0,0,0|2,0,1]=4 101 B5R0.3 CNC(=O)NC 273464a_100102657272_100102657272 [0,0,1,0,0,0|2,0,1]=4 102 B5R0.3 CNC(=O)NC 512a_106832991638_100102657272 [0,0,1,0,0,0|2,0,1]=4 103 B5R0.3 COC(C)SC 62a_100009879195_200000210301 [0,0,1,0,0,0|2,0,1]=4 104 B5R0.3 COC(C)SC 62a_200000210301_100009879195 [0,0,1,0,0,0|2,0,1]=4 105 B5R0.3 COC(C)S[13CH3] 62a_100009879195_200025704644 [0,0,1,0,0,0|2,0,1]=4 106 B5R0.3 COC(C)S[13CH3] 62a_200025704644_100009879195 [0,0,1,0,0,0|2,0,1]=4 107 B5R1.2 CN1CCC1 269982a_100000754969_200000210301 [0,0,0,0,1,0|3,0,0]=4 108 B5R1.2 [13CH3]N1CCC1 269982a_100000754969_200025704644 [0,0,0,0,1,0|3,0,0]=4 109 B4R0.1 CC(C)S[13CH3] 62a_100000210206_200025704644 [1,0,1,0,0,0|1,0,1]=4 110 B4R0.1 CC(C)S[13CH3] 62a_200025704644_100000210206 [1,0,1,0,0,0|1,0,1]=4 111 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [1,0,1,0,0,0|1,1,0]=4 112 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [1,0,1,0,0,0|1,1,0]=4 113 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [1,0,1,0,0,0|1,1,0]=4 114 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [1,0,1,0,0,0|1,0,1]=4 115 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [1,0,1,0,0,0|1,0,1]=4 116 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [1,0,1,0,0,0|1,0,1]=4 117 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [1,0,1,0,0,0|1,0,1]=4 118 B4R0.1 CSC(C)C 62a_100000210206_200000210301 [1,0,1,0,0,0|1,0,1]=4 119 B4R0.1 CSC(C)C 62a_200000210301_100000210206 [1,0,1,0,0,0|1,0,1]=4 120 B4R0.2 CCCSC 62a_100000210303_200000210301 [1,0,1,0,0,0|1,0,1]=4 121 B4R0.2 CCCSC 62a_200000210301_100000210303 [1,0,1,0,0,0|1,0,1]=4 122 B4R0.2 CCCS[13CH3] 62a_100000210303_200025704644 [1,0,1,0,0,0|1,0,1]=4 123 B4R0.2 CCCS[13CH3] 62a_200025704644_100000210303 [1,0,1,0,0,0|1,0,1]=4 124 B4R0.2 CCSCC 62a_100000210202_100000210202 [1,0,1,0,0,0|1,0,1]=4 125 B4R0.2 CCSCF 62a_100000210202_100015361967 [1,0,1,0,0,0|1,0,1]=4 126 B4R0.2 CCSCF 62a_100015361967_100000210202 [1,0,1,0,0,0|1,0,1]=4 127 B4R0.2 CNCSC 2230a_106832991635_100011218213 [1,0,1,0,0,0|0,0,2]=4 128 B4R0.2 CNCSC 34a_100102657272_100011218213 [1,0,1,0,0,0|0,0,2]=4 129 B4R0.2 COCSC 34a_100138415774_100011218213 [1,0,1,0,0,0|1,0,1]=4 130 B4R0.2 COCSC 62a_100000766300_200000210301 [1,0,1,0,0,0|1,0,1]=4 131 B4R0.2 COCSC 62a_200000210301_100000766300 [1,0,1,0,0,0|1,0,1]=4 132 B4R0.2 COCS[13CH3] 62a_100000766300_200025704644 [1,0,1,0,0,0|1,0,1]=4 133 B4R0.2 COCS[13CH3] 62a_200025704644_100000766300 [1,0,1,0,0,0|1,0,1]=4 134 B4R0.2 CSCCF 62a_100011217306_200000210301 [1,0,1,0,0,0|1,0,1]=4 135 B4R0.2 CSCCF 62a_200000210301_100011217306 [1,0,1,0,0,0|1,0,1]=4 136 B4R0.2 CSCCO 62a_100000211926_200000210301 [1,0,1,0,0,0|1,0,1]=4 137 B4R0.2 CSCCO 62a_200000210301_100000211926 [1,0,1,0,0,0|1,0,1]=4 138 B4R0.2 CSCSC 62a_100011218213_200000210301 [1,0,1,0,0,0|1,0,1]=4 139 B4R0.2 CSCSC 62a_200000210301_100011218213 [1,0,1,0,0,0|1,0,1]=4 140 B4R0.2 CSCS[13CH3] 62a_100011218213_200025704644 [1,0,1,0,0,0|1,0,1]=4 141 B4R0.2 CSCS[13CH3] 62a_200025704644_100011218213 [1,0,1,0,0,0|1,0,1]=4 142 B4R0.2 [13CH3]SCCF 62a_100011217306_200025704644 [1,0,1,0,0,0|1,0,1]=4 143 B4R0.2 [13CH3]SCCF 62a_200025704644_100011217306 [1,0,1,0,0,0|1,0,1]=4 144 B4R0.2 [13CH3]SCCO 62a_100000211926_200025704644 [1,0,1,0,0,0|1,0,1]=4 145 B4R0.2 [13CH3]SCCO 62a_200025704644_100000211926 [1,0,1,0,0,0|1,0,1]=4 146 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [0,1,1,0,0,0|1,1,0]=4 147 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [0,1,1,0,0,0|1,1,0]=4 148 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [0,1,1,0,0,0|1,1,0]=4 149 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [0,1,1,0,0,0|1,1,0]=4 150 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [0,1,1,0,0,0|0,1,1]=4 151 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [0,1,1,0,0,0|0,1,1]=4 152 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [0,1,1,0,0,0|0,1,1]=4 153 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [0,1,1,0,0,0|0,1,1]=4 154 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [0,1,1,0,0,0|0,1,1]=4 155 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [0,1,1,0,0,0|0,1,1]=4 156 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [0,1,1,0,0,0|2,0,0]=4 157 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [0,1,1,0,0,0|2,0,0]=4 158 B6R0.4 C=C(F)CSCC 62a_100000042424_100000210202 [0,1,1,0,0,0|2,0,0]=4 159 B6R0.4 C=C(F)CSCC 62a_100000210202_100000042424 [0,1,1,0,0,0|2,0,0]=4 160 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [0,1,1,0,0,0|0,1,1]=4 161 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [0,1,1,0,0,0|0,1,1]=4 162 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [0,1,1,0,0,0|1,1,0]=4 163 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [0,1,1,0,0,0|2,0,0]=4 164 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [0,1,1,0,0,0|1,0,0]=3 165 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [0,1,1,0,0,0|1,0,0]=3 166 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [0,1,1,0,0,0|2,0,0]=4 167 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [0,1,1,0,0,0|2,0,0]=4 168 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [0,1,1,0,0,0|2,0,0]=4 169 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [0,1,1,0,0,0|1,1,0]=4 170 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [0,1,1,0,0,0|1,1,0]=4 171 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [0,1,1,0,0,0|1,1,0]=4 172 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [0,1,1,0,0,0|1,1,0]=4 173 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [0,1,1,0,0,0|1,1,0]=4 174 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [0,1,1,0,0,0|1,1,0]=4 175 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [0,1,1,0,0,0|1,1,0]=4 176 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [0,1,1,0,0,0|1,1,0]=4 177 B6R0.4 NC(=O)CSCF 62a_100000747473_100015361967 [0,1,1,0,0,0|2,0,0]=4 178 B6R0.4 NC(=O)CSCF 62a_100015361967_100000747473 [0,1,1,0,0,0|2,0,0]=4 179 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [0,1,1,0,0,0|1,1,0]=4 180 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [0,1,1,0,0,0|1,1,0]=4 181 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [0,1,1,0,0,0|1,1,0]=4 182 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [0,1,1,0,0,0|1,1,0]=4 183 B6R0.6 C=CCCCSC 62a_100011713584_200000210301 [0,1,1,0,0,0|2,0,0]=4 184 B6R0.6 C=CCCCSC 62a_200000210301_100000757094 [0,1,1,0,0,0|2,0,0]=4 185 B6R0.6 C=CCCCS[13CH3] 62a_100011713584_200025704644 [0,1,1,0,0,0|2,0,0]=4 186 B6R0.6 C=CCCCS[13CH3] 62a_200025704644_100000757094 [0,1,1,0,0,0|2,0,0]=4 187 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [0,1,1,0,0,0|2,0,0]=4 188 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [0,1,1,0,0,0|2,0,0]=4 189 B6R0.6 C=CCSCCF 62a_100000210623_100011217306 [0,1,1,0,0,0|2,0,0]=4 190 B6R0.6 C=CCSCCF 62a_100011217306_100000210623 [0,1,1,0,0,0|2,0,0]=4 191 B6R0.6 C=CCSCCO 62a_100000210623_100000211926 [0,1,1,0,0,0|2,0,0]=4 192 B6R0.6 C=CCSCCO 62a_100000211926_100000210623 [0,1,1,0,0,0|2,0,0]=4 193 B6R0.6 C=COCCSC 62a_100000039644_200000210301 [0,1,1,0,0,0|2,0,0]=4 194 B6R0.6 C=COCCSC 62a_200000210301_100000039644 [0,1,1,0,0,0|2,0,0]=4 195 B6R0.6 C=COCCS[13CH3] 62a_100000039644_200025704644 [0,1,1,0,0,0|2,0,0]=4 196 B6R0.6 C=COCCS[13CH3] 62a_200025704644_100000039644 [0,1,1,0,0,0|2,0,0]=4 197 B6R0.6 CC=NNCCC 4a_100000740057_200000210099 [0,1,1,0,0,0|2,0,0]=4 198 B6R0.6 CC=NNCCO 4a_100000210001_200000210099 [0,1,1,0,0,0|1,1,0]=4 199 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [0,1,1,0,0,0|2,0,0]=4 200 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [0,1,1,0,0,0|2,0,0]=4 201 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [0,1,1,0,0,0|2,0,0]=4 202 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [0,1,1,0,0,0|2,0,0]=4 203 B6R0.6 O=CCSCCF 62a_100011217306_200015260668 [0,1,1,0,0,0|2,0,0]=4 204 B6R0.6 O=CCSCCF 62a_200015260668_100011217306 [0,1,1,0,0,0|2,0,0]=4 205 B6R0.6 O=CCSCCO 62a_100000211926_200015260668 [0,1,1,0,0,0|2,0,0]=4 206 B6R0.6 O=CCSCCO 62a_200015260668_100000211926 [0,1,1,0,0,0|2,0,0]=4 207 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [0,1,1,0,0,0|2,0,0]=4 208 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [0,1,1,0,0,0|2,0,0]=4 209 B6R1.6 CNC1CCC1 2230a_100000749019_200000210301 [0,1,0,0,1,0|1,0,1]=4 210 B6R1.6 CNC1CCC1 270004a_106832991635_100000241760 [0,1,0,0,1,0|1,0,1]=4 211 B6R1.6 CNC1CCC1 34a_100000749019_200000210301 [0,1,0,0,1,0|1,0,1]=4 212 B6R1.6 CNC1CCC1 34a_100102657272_100000749161 [0,1,0,0,1,0|1,0,1]=4 213 B6R1.6 [13CH3]NC1CCC1 2230a_100000749019_200025704644 [0,1,0,0,1,0|1,0,1]=4 214 B6R1.6 [13CH3]NC1CCC1 34a_100000749019_200025704644 [0,1,0,0,1,0|1,0,1]=4 215 B8R1.2 CNC1CCCSC1 270004a_106832991635_100000057913 [0,1,0,0,0,1|1,0,1]=4 216 B8R1.1 C=Cc1csc(n1)N 271570a_100011290941_100011998049 [0,2,0,0,0,0|0,0,2]=4 217 B8R1.1 C=Cc1nnc(s1)N 271570a_100011290941_100000738278 [0,2,0,0,0,0|1,0,1]=4 218 B8R1.1 CNc1nc(ns1)C 27a_100102657272_100000709739 [0,2,0,0,0,0|1,0,1]=4 219 B8R1.1 CNc1nnc(s1)C 27a_100102657272_100000686958 [0,2,0,0,0,0|1,0,1]=4 220 B8R1.1 CNc1nnc(s1)N 27a_100102657272_100000738278 [0,2,0,0,0,0|1,0,1]=4 221 B8R1.1 CNc1nnc(s1)O 271570a_203496583355_200012111945 [0,2,0,0,0,0|1,0,1]=4 222 B8R1.1 CSc1cnc(s1)N 62a_100000718969_200000210301 [0,2,0,0,0,0|0,0,2]=4 223 B8R1.1 CSc1cnc(s1)N 62a_200000210301_100000718969 [0,2,0,0,0,0|0,0,2]=4 224 B8R1.1 CSc1csc(n1)N 62a_100011998049_200000210301 [0,2,0,0,0,0|0,0,2]=4 225 B8R1.1 CSc1csc(n1)N 62a_200000210301_100011998049 [0,2,0,0,0,0|0,0,2]=4 226 B8R1.1 CSc1nnc(s1)N 62a_100000738278_200000210301 [0,2,0,0,0,0|1,0,1]=4 227 B8R1.1 CSc1nnc(s1)N 62a_200000210301_100000738278 [0,2,0,0,0,0|1,0,1]=4 228 B8R1.1 NCc1ncc(s1)O 271570a_203496583355_100016991807 [0,2,0,0,0,0|0,0,2]=4 229 B8R1.1 [13CH3]Sc1cnc(s1)N 62a_100000718969_200025704644 [0,2,0,0,0,0|0,0,2]=4 230 B8R1.1 [13CH3]Sc1cnc(s1)N 62a_200025704644_100000718969 [0,2,0,0,0,0|0,0,2]=4 231 B8R1.1 [13CH3]Sc1csc(n1)N 62a_100011998049_200025704644 [0,2,0,0,0,0|0,0,2]=4 232 B8R1.1 [13CH3]Sc1csc(n1)N 62a_200025704644_100011998049 [0,2,0,0,0,0|0,0,2]=4 233 B8R1.1 [13CH3]Sc1nnc(s1)N 62a_100000738278_200025704644 [0,2,0,0,0,0|1,0,1]=4 234 B8R1.1 [13CH3]Sc1nnc(s1)N 62a_200025704644_100000738278 [0,2,0,0,0,0|1,0,1]=4 235 B8R1.7 CN(C)c1ncns1 27a_100102631434_100000693119 [0,2,0,0,0,0|1,0,1]=4 236 B8R1.7 CN(C)c1nncs1 27a_100102631434_100000739804 [0,2,0,0,0,0|1,0,1]=4 237 B8R1.8 CCNc1ncns1 27a_100015525214_100000693119 [0,2,0,0,0,0|1,0,1]=4 238 B8R1.8 CCNc1nncs1 27a_100015525214_100000739804 [0,2,0,0,0,0|1,0,1]=4 239 B8R1.8 CNCC1=NCCN1 34a_100102657272_100000737910 [0,2,0,0,0,0|1,0,0]=3 240 B8R1.8 CNCC1=NCCN1 7a_106832991635_100000737910 [0,2,0,0,0,0|1,0,0]=3 241 B8R1.8 CNCc1nccs1 207a_100102657272_100000750902 [0,2,0,0,0,0|0,0,2]=4 242 B8R1.8 CNCc1nccs1 2230a_100000740555_200000210301 [0,2,0,0,0,0|0,0,2]=4 243 B8R1.8 CNCc1nccs1 2230a_106832991635_100015184050 [0,2,0,0,0,0|0,0,2]=4 244 B8R1.8 CNCc1nccs1 270004a_106832991635_100000750902 [0,2,0,0,0,0|0,0,2]=4 245 B8R1.8 CNCc1nccs1 34a_100102657272_100015184050 [0,2,0,0,0,0|0,0,2]=4 246 B8R1.8 CNCc1nccs1 7a_106832991635_100015184050 [0,2,0,0,0,0|0,0,2]=4 247 B8R1.8 COCC1=NCCN1 34a_100138415774_100000737910 [0,2,0,0,0,0|2,0,0]=4 248 B8R1.8 CSCC1=NCCN1 62a_100000737910_200000210301 [0,2,0,0,0,0|2,0,0]=4 249 B8R1.8 CSCC1=NCCN1 62a_200000210301_100000737910 [0,2,0,0,0,0|2,0,0]=4 250 B8R1.8 [13CH3]NCc1nccs1 2230a_100000740555_200025704644 [0,2,0,0,0,0|0,0,2]=4 251 B8R1.8 [13CH3]SCC1=NCCN1 62a_100000737910_200025704644 [0,2,0,0,0,0|2,0,0]=4 252 B8R1.8 [13CH3]SCC1=NCCN1 62a_200025704644_100000737910 [0,2,0,0,0,0|2,0,0]=4 253 B8R1.18 Cc1sc(nc1O)N 271570a_203496583355_100009817509 [0,2,0,0,0,0|0,0,2]=4