0 B5R0.1 C#CCC(=O)C 1458a_100000070787_100000184674 [0,0,0,0,0,0|1,0,2]=3 1 B5R0.1 C#CCC(=O)C 1458a_100011220946_200000210301 [0,0,0,0,0,0|1,0,2]=3 2 B5R0.1 C#CCC(=O)[13CH3] 1458a_100011220946_200025704644 [0,0,0,0,0,0|1,0,2]=3 3 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [0,0,0,0,0,0|3,0,1]=4 7 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [0,0,0,0,0,0|3,0,1]=4 10 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [0,0,0,0,0,0|3,0,1]=4 11 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [0,0,0,0,0,0|3,0,1]=4 12 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [0,0,0,0,0,0|3,0,1]=4 13 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [0,0,0,0,0,0|1,0,0]=1 14 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [0,0,0,0,0,0|1,0,0]=1 15 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [0,0,0,0,0,0|1,0,0]=1 16 B5R0.1 C=CCN(C)C 2230a_100000225617_200000210301 [0,0,0,0,0,0|3,0,0]=3 17 B5R0.1 C=CCN(C)C 2230a_100102631434_100000210623 [0,0,0,0,0,0|3,0,0]=3 18 B5R0.1 C=CCN(C)C 269982a_100000225617_200000210301 [0,0,0,0,0,0|3,0,0]=3 19 B5R0.1 C=CCN(C)C 269982a_100102631434_100000210623 [0,0,0,0,0,0|3,0,0]=3 20 B5R0.1 C=CCN(C)[13CH3] 2230a_100000225617_200025704644 [0,0,0,0,0,0|3,0,0]=3 21 B5R0.1 C=CCN(C)[13CH3] 269982a_100000225617_200025704644 [0,0,0,0,0,0|3,0,0]=3 22 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [0,0,0,0,0,0|1,0,2]=3 23 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [0,0,0,0,0,0|1,0,2]=3 24 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [0,0,0,0,0,0|2,0,0]=2 25 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [0,0,0,0,0,0|2,0,0]=2 26 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [0,0,0,0,0,0|2,0,0]=2 27 B5R0.1 CC(=O)CC#N 1458a_100000070787_100011214920 [0,0,0,0,0,0|2,0,1]=3 28 B5R0.1 CC(=O)CC#N 1458a_100051588842_200000210301 [0,0,0,0,0,0|2,0,1]=3 29 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [0,0,0,0,0,0|2,0,1]=3 30 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [0,0,0,0,0,0|2,0,1]=3 31 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [0,0,0,0,0,0|2,0,1]=3 32 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [0,0,0,0,0,0|2,0,1]=3 33 B5R0.1 CC(C)OCF 34a_100000212225_100015361967 [0,0,0,0,0,0|2,0,2]=4 34 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [0,0,0,0,0,0|1,0,1]=2 35 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [0,0,0,0,0,0|1,0,1]=2 36 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [0,0,0,0,0,0|1,0,2]=3 37 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [0,0,0,0,0,0|1,0,2]=3 38 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [0,0,0,0,0,0|1,0,2]=3 39 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [0,0,0,0,0,0|1,0,2]=3 40 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [0,0,0,0,0,0|1,0,2]=3 41 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [0,0,0,0,0,0|1,0,2]=3 42 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [0,0,0,0,0,0|1,0,3]=4 43 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [0,0,0,0,0,0|1,0,3]=4 44 B5R0.1 CN(C)CC=O 2230a_100102631434_200015260668 [0,0,0,0,0,0|4,0,0]=4 45 B5R0.1 CN(C)CC=O 269982a_100102631434_200015260668 [0,0,0,0,0,0|4,0,0]=4 46 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [0,0,0,0,0,0|3,0,1]=4 47 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [0,0,0,0,0,0|3,0,1]=4 48 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [0,0,0,0,0,0|3,0,1]=4 49 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [0,0,0,0,0,0|3,0,1]=4 50 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [0,0,0,0,0,0|3,0,1]=4 51 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [0,0,0,0,0,0|3,0,1]=4 52 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [0,0,0,0,0,0|2,0,1]=3 53 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [0,0,0,0,0,0|2,0,1]=3 54 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [0,0,0,0,0,0|2,0,1]=3 55 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [0,0,0,0,0,0|3,0,1]=4 56 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [0,0,0,0,0,0|2,0,1]=3 57 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [0,0,0,0,0,0|3,0,1]=4 58 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [0,0,0,0,0,0|2,0,1]=3 59 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [0,0,0,0,0,0|3,0,1]=4 60 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [0,0,0,0,0,0|3,0,1]=4 61 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [0,0,0,0,0,0|2,0,1]=3 62 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [0,0,0,0,0,0|3,0,1]=4 63 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [0,0,0,0,0,0|3,0,1]=4 64 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [0,0,0,0,0,0|2,0,0]=2 65 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [0,0,0,0,0,0|2,0,0]=2 66 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [0,0,0,0,0,0|2,0,0]=2 67 B5R0.1 [13CH3]C(=O)CC#N 1458a_100051588842_200025704644 [0,0,0,0,0,0|2,0,1]=3 68 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [0,0,0,0,0,0|2,0,1]=3 69 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [0,0,0,0,0,0|3,0,1]=4 70 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [0,0,0,0,0,0|3,0,1]=4 71 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [0,0,0,0,0,0|3,0,1]=4 72 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [0,0,0,0,0,0|3,0,1]=4 73 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [0,0,0,0,0,0|3,0,1]=4 74 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [0,0,0,0,0,0|3,0,1]=4 75 B4R0.1 C#CC(=O)C 1458a_100000211873_200000210301 [1,0,0,0,0,0|0,0,2]=3 76 B4R0.1 C#CC(=O)[13CH3] 1458a_100000211873_200025704644 [1,0,0,0,0,0|0,0,2]=3 77 B4R0.1 C=CC(=O)C 1458a_100000185746_200000210301 [1,0,0,0,0,0|0,0,0]=1 78 B4R0.1 C=CC(=O)[13CH3] 1458a_100000185746_200025704644 [1,0,0,0,0,0|0,0,0]=1 79 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [1,0,0,0,0,0|1,0,1]=3 80 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [1,0,0,0,0,0|1,0,1]=3 81 B4R0.1 CC(C)O[13CH3] 34a_100000212225_200025704644 [1,0,0,0,0,0|1,0,2]=4 82 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [1,0,0,0,0,0|0,0,2]=3 83 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [1,0,0,0,0,0|0,0,2]=3 84 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [1,0,0,0,0,0|0,0,2]=3 85 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [1,0,0,0,0,0|1,0,1]=3 86 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [1,0,0,0,0,0|1,0,1]=3 87 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [1,0,0,0,0,0|1,0,1]=3 88 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [1,0,0,0,0,0|1,0,1]=3 89 B4R0.1 COC(C)C 34a_100000212225_200000210301 [1,0,0,0,0,0|1,0,2]=4 90 B4R0.1 COC(C)C 34a_100138415774_100000210206 [1,0,0,0,0,0|1,0,2]=4 91 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [1,0,0,0,0,0|1,0,1]=3 92 B4R0.2 C=CCNC 2230a_100020586998_200000210301 [1,0,0,0,0,0|2,0,0]=3 93 B4R0.2 C=CCNC 2230a_106832991635_100000210623 [1,0,0,0,0,0|2,0,0]=3 94 B4R0.2 C=CCNC 34a_100102657272_100015514636 [1,0,0,0,0,0|2,0,0]=3 95 B4R0.2 C=CCNC 7a_106832991635_100015514636 [1,0,0,0,0,0|2,0,0]=3 96 B4R0.2 C=CCN[13CH3] 2230a_100020586998_200025704644 [1,0,0,0,0,0|2,0,0]=3 97 B4R0.2 C=CCOC 34a_100138415774_100015514636 [1,0,0,0,0,0|2,0,0]=3 98 B4R0.2 C=CCOC 34a_200000210373_200000210301 [1,0,0,0,0,0|2,0,0]=3 99 B4R0.2 C=CCO[13CH3] 34a_200000210373_200025704644 [1,0,0,0,0,0|2,0,0]=3 100 B4R0.2 C=CCSC 62a_100000210623_200000210301 [1,0,0,0,0,0|2,0,0]=3 101 B4R0.2 C=CCSC 62a_200000210301_100000210623 [1,0,0,0,0,0|2,0,0]=3 102 B4R0.2 C=CCS[13CH3] 62a_100000210623_200025704644 [1,0,0,0,0,0|2,0,0]=3 103 B4R0.2 C=CCS[13CH3] 62a_200025704644_100000210623 [1,0,0,0,0,0|2,0,0]=3 104 B4R0.2 CCOCC 34a_100121572206_100000210202 [1,0,0,0,0,0|0,0,3]=4 105 B4R0.2 CCOCF 34a_100121572206_100015361967 [1,0,0,0,0,0|1,0,2]=4 106 B4R0.2 CNCC=O 2230a_106832991635_200015260668 [1,0,0,0,0,0|2,0,1]=4 107 B4R0.2 CNCC=O 34a_100102657272_200009817547 [1,0,0,0,0,0|2,0,1]=4 108 B4R0.2 CNCC=O 7a_106832991635_200015260668 [1,0,0,0,0,0|2,0,1]=4 109 B4R0.2 COCC=O 34a_100138415774_200009817547 [1,0,0,0,0,0|2,0,1]=4 110 B4R0.2 CSCC=O 62a_200000210301_200015260668 [1,0,0,0,0,0|2,0,1]=4 111 B4R0.2 CSCC=O 62a_200015260668_200000210301 [1,0,0,0,0,0|2,0,1]=4 112 B4R0.2 [13CH3]SCC=O 62a_200015260668_200025704644 [1,0,0,0,0,0|2,0,1]=4 113 B4R0.2 [13CH3]SCC=O 62a_200025704644_200015260668 [1,0,0,0,0,0|2,0,1]=4 114 B6R0.1 C#CC(=O)CC=C 1458a_100000211873_100000210623 [0,1,0,0,0,0|1,0,1]=3 115 B6R0.1 C#CCC(=O)CC 1458a_100000210414_100000184674 [0,1,0,0,0,0|1,0,2]=4 116 B6R0.1 C#CCC(=O)CC 1458a_100011220946_100000210202 [0,1,0,0,0,0|1,0,2]=4 117 B6R0.1 C#CCC(=O)CF 1458a_100011220946_100015361967 [0,1,0,0,0,0|1,0,2]=4 118 B6R0.1 C#CCC(=O)CO 1458a_100000210174_100000184674 [0,1,0,0,0,0|1,0,2]=4 119 B6R0.1 C#CCC(=O)NC 1626a_100102657272_100011220946 [0,1,0,0,0,0|1,0,2]=4 120 B6R0.1 C#CCC(=O)NC 527a_100102657272_100011220946 [0,1,0,0,0,0|1,0,2]=4 121 B6R0.1 C=CCC(=O)C=C 1458a_100000185746_100000210623 [0,1,0,0,0,0|1,0,1]=3 122 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [0,1,0,0,0,0|1,0,0]=2 123 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [0,1,0,0,0,0|1,0,0]=2 124 B6R0.1 C=CCC(=O)CF 1458a_100000210193_100015361967 [0,1,0,0,0,0|1,0,0]=2 125 B6R0.1 C=CCC(=O)CO 1458a_100000210174_100000210623 [0,1,0,0,0,0|1,0,0]=2 126 B6R0.1 C=CCC(=O)NC 11a_106832991635_100000210193 [0,1,0,0,0,0|1,0,0]=2 127 B6R0.1 C=CCC(=O)NC 1626a_100102657272_100000210193 [0,1,0,0,0,0|1,0,0]=2 128 B6R0.1 C=CCC(=O)NC 240690a_100102657272_100000210193 [0,1,0,0,0,0|1,0,0]=2 129 B6R0.1 C=CCC(=O)NC 527a_100102657272_100000210193 [0,1,0,0,0,0|1,0,0]=2 130 B6R0.1 C=CCN(C)CC 2230a_100000225617_100000210202 [0,1,0,0,0,0|3,0,0]=4 131 B6R0.1 C=CCN(C)CC 2230a_100000225621_100000210623 [0,1,0,0,0,0|3,0,0]=4 132 B6R0.1 C=CCN(C)CC 269982a_100000225617_100000204670 [0,1,0,0,0,0|3,0,0]=4 133 B6R0.1 C=CCN(C)CC 269982a_100000225621_100000210623 [0,1,0,0,0,0|3,0,0]=4 134 B6R0.1 C=CCN(C)CF 269982a_100000225617_100015361967 [0,1,0,0,0,0|3,0,0]=4 135 B6R0.1 C=CC[C@@H](C)OC 34a_100000731007_200000210301 [0,1,0,0,0,0|1,0,2]=4 136 B6R0.1 C=CC[C@@H](C)OC 7a_100000731007_200000210301 [0,1,0,0,0,0|1,0,2]=4 137 B6R0.1 C=CC[C@@H](C)O[13CH3] 34a_100000731007_200025704644 [0,1,0,0,0,0|1,0,2]=4 138 B6R0.1 C=CC[C@@H](C)O[13CH3] 7a_100000731007_200025704644 [0,1,0,0,0,0|1,0,2]=4 139 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [0,1,0,0,0,0|1,0,2]=4 140 B6R0.1 CC#CC(=O)CF 1458a_100000763181_100015361967 [0,1,0,0,0,0|1,0,2]=4 141 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [0,1,0,0,0,0|1,0,1]=3 142 B6R0.1 CC=CC(=O)CF 1458a_100000210699_100015361967 [0,1,0,0,0,0|1,0,1]=3 143 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [0,1,0,0,0,0|1,0,1]=3 144 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [0,1,0,0,0,0|1,0,1]=3 145 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [0,1,0,0,0,0|1,0,1]=3 146 B6R0.1 CCC(=O)C=CBr 1458a_100016273825_100000210202 [0,1,0,0,0,0|2,0,0]=3 147 B6R0.1 CCC(=O)C=CCl 1458a_200016279998_100000210202 [0,1,0,0,0,0|2,0,0]=3 148 B6R0.1 CCC(=O)C=CI 1458a_100016256311_100000210202 [0,1,0,0,0,0|2,0,0]=3 149 B6R0.1 CCC(=O)CC#N 1458a_100000210414_100011214920 [0,1,0,0,0,0|2,0,1]=4 150 B6R0.1 CCC(=O)CC#N 1458a_100051588842_100000210202 [0,1,0,0,0,0|2,0,1]=4 151 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [0,1,0,0,0,0|2,0,1]=4 152 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [0,1,0,0,0,0|2,0,1]=4 153 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [0,1,0,0,0,0|2,0,1]=4 154 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [0,1,0,0,0,0|2,0,1]=4 155 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [0,1,0,0,0,0|2,0,1]=4 156 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [0,1,0,0,0,0|2,0,1]=4 157 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [0,1,0,0,0,0|2,0,1]=4 158 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [0,1,0,0,0,0|2,0,1]=4 159 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [0,1,0,0,0,0|2,0,1]=4 160 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [0,1,0,0,0,0|2,0,1]=4 161 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [0,1,0,0,0,0|2,0,1]=4 162 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [0,1,0,0,0,0|2,0,1]=4 163 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [0,1,0,0,0,0|2,0,1]=4 164 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [0,1,0,0,0,0|1,0,2]=4 165 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [0,1,0,0,0,0|1,0,2]=4 166 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [0,1,0,0,0,0|1,0,2]=4 167 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [0,1,0,0,0,0|1,0,2]=4 168 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [0,1,0,0,0,0|1,0,2]=4 169 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [0,1,0,0,0,0|1,0,2]=4 170 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [0,1,0,0,0,0|1,0,2]=4 171 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [0,1,0,0,0,0|1,0,2]=4 172 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [0,1,0,0,0,0|1,0,2]=4 173 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [0,1,0,0,0,0|1,0,2]=4 174 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [0,1,0,0,0,0|1,0,2]=4 175 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [0,1,0,0,0,0|1,0,2]=4 176 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [0,1,0,0,0,0|1,0,2]=4 177 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [0,1,0,0,0,0|1,0,2]=4 178 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [0,1,0,0,0,0|1,0,2]=4 179 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [0,1,0,0,0,0|1,0,2]=4 180 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [0,1,0,0,0,0|1,0,2]=4 181 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [0,1,0,0,0,0|1,0,2]=4 182 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [0,1,0,0,0,0|1,0,2]=4 183 B6R0.1 CNC(=O)C=CBr 1626a_100102657272_100016273825 [0,1,0,0,0,0|2,0,0]=3 184 B6R0.1 CNC(=O)C=CBr 240690a_100102657272_100016273825 [0,1,0,0,0,0|2,0,0]=3 185 B6R0.1 CNC(=O)C=CCl 11a_106832991635_200016279998 [0,1,0,0,0,0|2,0,0]=3 186 B6R0.1 CNC(=O)C=CCl 1626a_100102657272_200016279998 [0,1,0,0,0,0|2,0,0]=3 187 B6R0.1 CNC(=O)C=CCl 240690a_100102657272_200016279998 [0,1,0,0,0,0|2,0,0]=3 188 B6R0.1 CNC(=O)C=CI 1626a_100102657272_100016256311 [0,1,0,0,0,0|2,0,0]=3 189 B6R0.1 CNC(=O)CC#N 1626a_100102657272_100051588842 [0,1,0,0,0,0|2,0,1]=4 190 B6R0.1 CNC(=O)CC#N 240690a_100102657272_100051588842 [0,1,0,0,0,0|2,0,1]=4 191 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [0,1,0,0,0,0|2,0,1]=4 192 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [0,1,0,0,0,0|2,0,1]=4 193 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [0,1,0,0,0,0|2,0,1]=4 194 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [0,1,0,0,0,0|2,0,1]=4 195 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [0,1,0,0,0,0|2,0,1]=4 196 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [0,1,0,0,0,0|2,0,1]=4 197 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [0,1,0,0,0,0|2,0,1]=4 198 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [0,1,0,0,0,0|2,0,1]=4 199 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [0,1,0,0,0,0|2,0,1]=4 200 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [0,1,0,0,0,0|2,0,1]=4 201 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [0,1,0,0,0,0|2,0,1]=4 202 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [0,1,0,0,0,0|2,0,1]=4 203 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [0,1,0,0,0,0|2,0,1]=4 204 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [0,1,0,0,0,0|2,0,1]=4 205 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [0,1,0,0,0,0|2,0,1]=4 206 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [0,1,0,0,0,0|2,0,1]=4 207 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [0,1,0,0,0,0|2,0,1]=4 208 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [0,1,0,0,0,0|2,0,1]=4 209 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [0,1,0,0,0,0|2,0,1]=4 210 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [0,1,0,0,0,0|2,0,1]=4 211 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [0,1,0,0,0,0|2,0,1]=4 212 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [0,1,0,0,0,0|2,0,1]=4 213 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [0,1,0,0,0,0|2,0,1]=4 214 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [0,1,0,0,0,0|2,0,1]=4 215 B6R0.1 CNNC(=O)CO 22a_100016993582_100000210174 [0,1,0,0,0,0|2,0,1]=4 216 B6R0.1 CNNC(=O)NC 273464a_100102657272_100016993582 [0,1,0,0,0,0|2,0,1]=4 217 B6R0.1 CNNC(=O)NC 512a_100016993582_100102657272 [0,1,0,0,0,0|2,0,1]=4 218 B6R0.1 CNNC(=O)NC 512a_106832991638_100016993582 [0,1,0,0,0,0|2,0,1]=4 219 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [0,1,0,0,0,0|2,0,1]=4 220 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [0,1,0,0,0,0|2,0,1]=4 221 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [0,1,0,0,0,0|2,0,1]=4 222 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [0,1,0,0,0,0|2,0,1]=4 223 B6R0.1 COCC(=O)CF 1458a_100000210968_100015361967 [0,1,0,0,0,0|2,0,1]=4 224 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [0,1,0,0,0,0|2,0,1]=4 225 B6R0.1 CSCC(=O)CF 1458a_100000184570_100015361967 [0,1,0,0,0,0|2,0,1]=4 226 B6R0.1 N#CCC(=O)CF 1458a_100051588842_100015361967 [0,1,0,0,0,0|2,0,1]=4 227 B6R0.1 N#CCC(=O)CO 1458a_100000210174_100011214920 [0,1,0,0,0,0|2,0,1]=4 228 B6R0.1 O=C(C=CBr)CF 1458a_100016273825_100015361967 [0,1,0,0,0,0|2,0,0]=3 229 B6R0.1 O=C(C=CCl)CF 1458a_200016279998_100015361967 [0,1,0,0,0,0|2,0,0]=3 230 B6R0.1 O=C(C=CI)CF 1458a_100016256311_100015361967 [0,1,0,0,0,0|2,0,0]=3 231 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [0,1,0,0,0,0|2,0,1]=4 232 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [0,1,0,0,0,0|2,0,1]=4 233 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [0,1,0,0,0,0|2,0,1]=4 234 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [0,1,0,0,0,0|1,0,0]=2 235 B6R0.2 C=C(C)CN(C)C 2230a_100000225649_200000210301 [0,1,0,0,0,0|3,0,0]=4 236 B6R0.2 C=C(C)CN(C)C 2230a_100102631434_100000748629 [0,1,0,0,0,0|3,0,0]=4 237 B6R0.2 C=C(C)CN(C)C 269982a_100000225649_200000210301 [0,1,0,0,0,0|3,0,0]=4 238 B6R0.2 C=C(C)CN(C)C 269982a_100102631434_100000748629 [0,1,0,0,0,0|3,0,0]=4 239 B6R0.2 C=C(C)CN(C)[13CH3] 2230a_100000225649_200025704644 [0,1,0,0,0,0|3,0,0]=4 240 B6R0.2 C=C(C)CN(C)[13CH3] 269982a_100000225649_200025704644 [0,1,0,0,0,0|3,0,0]=4 241 B6R0.2 C=C(F)CC(=O)C 1458a_100000070787_100009893438 [0,1,0,0,0,0|1,0,0]=2 242 B6R0.2 C=C(F)CN(C)C 2230a_100102631434_100009893438 [0,1,0,0,0,0|3,0,0]=4 243 B6R0.2 C=C(F)CN(C)C 269982a_100102631434_100009893438 [0,1,0,0,0,0|3,0,0]=4 244 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [0,1,0,0,0,0|1,0,1]=3 245 B6R0.2 CC(=CC(=O)[13CH3])Cl 1458a_200042562850_200025704644 [0,1,0,0,0,0|1,0,1]=3 246 B6R0.2 CC(=CC(=O)[13CH3])I 1458a_100025716642_200025704644 [0,1,0,0,0,0|1,0,1]=3 247 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [0,1,0,0,0,0|1,0,1]=3 248 B6R0.2 CC(=O)C=C(C)Cl 1458a_200042562850_200000210301 [0,1,0,0,0,0|1,0,1]=3 249 B6R0.2 CC(=O)C=C(C)I 1458a_100025716642_200000210301 [0,1,0,0,0,0|1,0,1]=3 250 B6R0.2 CC(=O)C=C(Cl)Cl 1458a_100000137448_200000210301 [0,1,0,0,0,0|2,0,0]=3 251 B6R0.2 CC(=O)CC(=O)N 1458a_100000070787_100000187820 [0,1,0,0,0,0|2,0,0]=3 252 B6R0.2 CC(=O)CC(=O)N 1458a_100134613110_200000210301 [0,1,0,0,0,0|2,0,0]=3 253 B6R0.2 CC(=O)CC(=O)[O-] 1458a_100000070787_100020667443 [0,1,0,0,0,0|2,0,0]=3 254 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [0,1,0,0,0,0|1,0,2]=4 255 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [0,1,0,0,0,0|1,0,2]=4 256 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [0,1,0,0,0,0|1,0,2]=4 257 B6R0.2 CC(=O)CC(F)F 1458a_100000070787_100011934356 [0,1,0,0,0,0|2,0,1]=4 258 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [0,1,0,0,0,0|2,0,1]=4 259 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [0,1,0,0,0,0|1,0,2]=4 260 B6R0.2 CC(=O)C[N+](=O)[O-] 1458a_100000070787_100000761209 [0,1,0,0,0,0|3,0,0]=4 261 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [0,1,0,0,0,0|2,0,1]=4 262 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [0,1,0,0,0,0|1,0,2]=4 263 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [0,1,0,0,0,0|1,0,2]=4 264 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [0,1,0,0,0,0|1,0,2]=4 265 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [0,1,0,0,0,0|1,0,2]=4 266 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [0,1,0,0,0,0|1,0,2]=4 267 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [0,1,0,0,0,0|2,0,1]=4 268 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [0,1,0,0,0,0|1,0,2]=4 269 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [0,1,0,0,0,0|2,0,1]=4 270 B6R0.2 [13CH3]C(=O)C=C(Cl)Cl 1458a_100000137448_200025704644 [0,1,0,0,0,0|2,0,0]=3 271 B6R0.2 [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [0,1,0,0,0,0|2,0,0]=3 272 B6R0.3 C#CC(C)C(=O)C 1458a_100000070787_200000035995 [0,1,0,0,0,0|1,0,2]=4 273 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [0,1,0,0,0,0|1,0,1]=3 274 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [0,1,0,0,0,0|1,0,1]=3 275 B6R0.3 C=CC(=O)C(C)C 1458a_100000185746_100000210206 [0,1,0,0,0,0|2,0,1]=4 276 B6R0.3 C=CC(=O)N(C)C 1626a_100102631434_100000185746 [0,1,0,0,0,0|3,0,0]=4 277 B6R0.3 C=CC(=O)N(C)C 240690a_100102631434_200121576911 [0,1,0,0,0,0|3,0,0]=4 278 B6R0.3 C=CC(C)C(=O)C 1458a_100011216780_200000210301 [0,1,0,0,0,0|1,0,0]=2 279 B6R0.3 C=CC(C)C(=O)[13CH3] 1458a_100011216780_200025704644 [0,1,0,0,0,0|1,0,0]=2 280 B6R0.3 C=CC(C)N(C)C 269982a_100102631434_100011215867 [0,1,0,0,0,0|3,0,0]=4 281 B6R0.3 CC(=O)C(C)C#N 1458a_100000070787_100000703298 [0,1,0,0,0,0|2,0,1]=4 282 B6R0.3 CC(=O)C(C)C#N 1458a_100000753662_200000210301 [0,1,0,0,0,0|2,0,1]=4 283 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [0,1,0,0,0,0|2,0,1]=4 284 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [0,1,0,0,0,0|2,0,1]=4 285 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [0,1,0,0,0,0|2,0,1]=4 286 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [0,1,0,0,0,0|2,0,1]=4 287 B6R0.3 CC(C#N)C(=O)[13CH3] 1458a_100000753662_200025704644 [0,1,0,0,0,0|2,0,1]=4 288 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [0,1,0,0,0,0|1,0,2]=4 289 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [0,1,0,0,0,0|1,0,2]=4 290 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [0,1,0,0,0,0|1,0,2]=4 291 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [0,1,0,0,0,0|1,0,2]=4 292 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [0,1,0,0,0,0|1,0,2]=4 293 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [0,1,0,0,0,0|1,0,2]=4 294 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [0,1,0,0,0,0|1,0,2]=4 295 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [0,1,0,0,0,0|1,0,2]=4 296 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [0,1,0,0,0,0|1,0,2]=4 297 B6R0.3 CNC(=O)C(=O)C 1458a_100011218921_200000210301 [0,1,0,0,0,0|2,0,1]=4 298 B6R0.3 CNC(=O)C(=O)[13CH3] 1458a_100011218921_200025704644 [0,1,0,0,0,0|2,0,1]=4 299 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [0,1,0,0,0,0|2,0,1]=4 300 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [0,1,0,0,0,0|2,0,1]=4 301 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [0,1,0,0,0,0|2,0,1]=4 302 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [0,1,0,0,0,0|2,0,1]=4 303 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [0,1,0,0,0,0|2,0,1]=4 304 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [0,1,0,0,0,0|2,0,1]=4 305 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [0,1,0,0,0,0|2,0,1]=4 306 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [0,1,0,0,0,0|2,0,1]=4 307 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [0,1,0,0,0,0|2,0,1]=4 308 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [0,1,0,0,0,0|2,0,1]=4 309 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [0,1,0,0,0,0|1,0,2]=4 310 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [0,1,0,0,0,0|1,0,2]=4 311 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [0,1,0,0,0,0|1,0,2]=4 312 B6R0.4 C#CCNC(=O)C 11a_100000212058_100015343762 [0,1,0,0,0,0|1,0,2]=4 313 B6R0.4 C#CCNC(=O)C 1626a_100000212058_100015343762 [0,1,0,0,0,0|1,0,2]=4 314 B6R0.4 C#CCNC(=O)C 240690a_100000212058_100015343762 [0,1,0,0,0,0|1,0,2]=4 315 B6R0.4 C#CCNC(=O)C 527a_100000212058_100103153847 [0,1,0,0,0,0|1,0,2]=4 316 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [0,1,0,0,0,0|1,0,0]=2 317 B6R0.4 C/C=C/CN(C)C 269982a_100102631434_100102629194 [0,1,0,0,0,0|3,0,0]=4 318 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [0,1,0,0,0,0|1,0,2]=4 319 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [0,1,0,0,0,0|1,0,2]=4 320 B6R0.4 C=C(C)COCF 34a_100000210245_100015361967 [0,1,0,0,0,0|2,0,1]=4 321 B6R0.4 C=CC=CC(=O)C 1458a_100016291481_200000210301 [0,1,0,0,0,0|1,0,0]=2 322 B6R0.4 C=CC=CC(=O)[13CH3] 1458a_100016291481_200025704644 [0,1,0,0,0,0|1,0,0]=2 323 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [0,1,0,0,0,0|1,0,0]=2 324 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [0,1,0,0,0,0|1,0,0]=2 325 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [0,1,0,0,0,0|1,0,0]=2 326 B6R0.4 C=CCCN(C)C 2230a_100020639649_200000210301 [0,1,0,0,0,0|3,0,0]=4 327 B6R0.4 C=CCCN(C)C 2230a_100102631434_100000754431 [0,1,0,0,0,0|3,0,0]=4 328 B6R0.4 C=CCCN(C)C 269982a_100020639649_200000210301 [0,1,0,0,0,0|3,0,0]=4 329 B6R0.4 C=CCCN(C)C 269982a_100102631434_100000754431 [0,1,0,0,0,0|3,0,0]=4 330 B6R0.4 C=CCCN(C)[13CH3] 2230a_100020639649_200025704644 [0,1,0,0,0,0|3,0,0]=4 331 B6R0.4 C=CCCN(C)[13CH3] 269982a_100020639649_200025704644 [0,1,0,0,0,0|3,0,0]=4 332 B6R0.4 C=CCNC(=O)C 1626a_100020586998_100015343762 [0,1,0,0,0,0|1,0,0]=2 333 B6R0.4 C=CCNC(=O)C 240690a_100020586998_100015343762 [0,1,0,0,0,0|1,0,0]=2 334 B6R0.4 C=CCNC(=O)C 527a_100020586998_100103153847 [0,1,0,0,0,0|1,0,0]=2 335 B6R0.4 C=CCNC(C)C 2230a_100020586998_100000210206 [0,1,0,0,0,0|2,0,1]=4 336 B6R0.4 C=CCNC(C)C 2230a_100138425928_100000210623 [0,1,0,0,0,0|2,0,1]=4 337 B6R0.4 C=CCNC(C)C 34a_100138425928_100015514636 [0,1,0,0,0,0|2,0,1]=4 338 B6R0.4 C=CCOC(C)C 34a_100000212225_100015514636 [0,1,0,0,0,0|1,0,1]=3 339 B6R0.4 C=CCOC(C)C 34a_200000210373_100000210206 [0,1,0,0,0,0|1,0,1]=3 340 B6R0.4 C=CCSC(C)C 62a_100000210206_100000210623 [0,1,0,0,0,0|1,1,1]=4 341 B6R0.4 C=CCSC(C)C 62a_100000210623_100000210206 [0,1,0,0,0,0|1,1,1]=4 342 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [0,1,0,0,0,0|1,0,2]=4 343 B6R0.4 CC(=O)C#CCO 1458a_100000049017_200000210301 [0,1,0,0,0,0|1,0,2]=4 344 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [0,1,0,0,0,0|1,0,2]=4 345 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [0,1,0,0,0,0|1,0,2]=4 346 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [0,1,0,0,0,0|1,0,2]=4 347 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [0,1,0,0,0,0|1,0,2]=4 348 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [0,1,0,0,0,0|1,0,2]=4 349 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [0,1,0,0,0,0|1,0,2]=4 350 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [0,1,0,0,0,0|1,0,2]=4 351 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [0,1,0,0,0,0|1,0,2]=4 352 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [0,1,0,0,0,0|1,0,1]=3 353 B6R0.4 CC(=O)NCC#N 1626a_100000734998_100015343762 [0,1,0,0,0,0|1,0,2]=4 354 B6R0.4 CC(=O)NCC#N 527a_100000734998_100103153847 [0,1,0,0,0,0|1,0,2]=4 355 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [0,1,0,0,0,0|1,0,2]=4 356 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [0,1,0,0,0,0|1,0,2]=4 357 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [0,1,0,0,0,0|1,0,2]=4 358 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [0,1,0,0,0,0|1,0,2]=4 359 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [0,1,0,0,0,0|1,0,2]=4 360 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [0,1,0,0,0,0|1,0,2]=4 361 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [0,1,0,0,0,0|0,0,2]=3 362 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [0,1,0,0,0,0|0,0,2]=3 363 B6R0.4 CC(C)OCC=O 34a_100000212225_200009817547 [0,1,0,0,0,0|1,0,2]=4 364 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [0,1,0,0,0,0|1,0,0]=2 365 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [0,1,0,0,0,0|1,0,0]=2 366 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [0,1,0,0,0,0|1,0,0]=2 367 B6R0.4 CC=CCN(C)C 2230a_100102631434_100000070051 [0,1,0,0,0,0|3,0,0]=4 368 B6R0.4 CC=NNC(=O)C 4a_100000189765_200000210099 [0,1,0,0,0,0|1,0,1]=3 369 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [0,1,0,0,0,0|1,0,2]=4 370 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [0,1,0,0,0,0|1,0,2]=4 371 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [0,1,0,0,0,0|1,0,1]=3 372 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [0,1,0,0,0,0|1,0,1]=3 373 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [0,1,0,0,0,0|1,0,2]=4 374 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [0,1,0,0,0,0|1,0,2]=4 375 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [0,1,0,0,0,0|1,0,2]=4 376 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [0,1,0,0,0,0|1,0,2]=4 377 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [0,1,0,0,0,0|1,0,2]=4 378 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [0,1,0,0,0,0|1,0,2]=4 379 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [0,1,0,0,0,0|1,0,2]=4 380 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [0,1,0,0,0,0|1,0,2]=4 381 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [0,1,0,0,0,0|0,0,2]=3 382 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [0,1,0,0,0,0|0,0,2]=3 383 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [0,1,0,0,0,0|1,0,2]=4 384 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [0,1,0,0,0,0|0,0,2]=3 385 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [0,1,0,0,0,0|1,0,2]=4 386 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [0,1,0,0,0,0|0,1,2]=4 387 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [0,1,0,0,0,0|0,1,2]=4 388 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [0,1,0,0,0,0|1,0,2]=4 389 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [0,1,0,0,0,0|0,0,2]=3 390 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [0,1,0,0,0,0|2,0,1]=4 391 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [0,1,0,0,0,0|1,0,1]=3 392 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [0,1,0,0,0,0|1,0,1]=3 393 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [0,1,0,0,0,0|1,0,2]=4 394 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [0,1,0,0,0,0|1,0,2]=4 395 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [0,1,0,0,0,0|1,0,2]=4 396 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [0,1,0,0,0,0|1,0,2]=4 397 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [0,1,0,0,0,0|1,0,2]=4 398 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [0,1,0,0,0,0|0,0,2]=3 399 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [0,1,0,0,0,0|1,0,2]=4 400 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [0,1,0,0,0,0|1,0,2]=4 401 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [0,1,0,0,0,0|1,0,2]=4 402 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [0,1,0,0,0,0|1,0,2]=4 403 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [0,1,0,0,0,0|1,0,2]=4 404 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [0,1,0,0,0,0|0,0,2]=3 405 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [0,1,0,0,0,0|0,0,2]=3 406 B6R0.4 [13CH3]C(=O)C#CCO 1458a_100000049017_200025704644 [0,1,0,0,0,0|1,0,2]=4 407 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [0,1,0,0,0,0|1,0,2]=4 408 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [0,1,0,0,0,0|2,0,1]=4 409 B6R1.2 CN1CC=CC1 269982a_100015195280_200000210301 [0,0,0,1,0,0|3,0,0]=4 410 B6R1.2 Oc1ccco1 271570a_203496583355_100009814098 [0,0,0,1,0,0|0,0,2]=3 411 B6R1.2 Oc1cccs1 271570a_203496583355_100011215356 [0,0,0,1,0,0|0,1,2]=4 412 B6R1.2 Oc1cnco1 271570a_203496583355_100020591547 [0,0,0,1,0,0|1,0,2]=4 413 B6R1.2 Oc1ncc[nH]1 271570a_203496583355_100025796157 [0,0,0,1,0,0|2,0,1]=4 414 B6R1.2 Oc1ncco1 271570a_203496583355_100011787736 [0,0,0,1,0,0|1,0,1]=3 415 B6R1.2 Oc1nccs1 271570a_203496583355_100000211983 [0,0,0,1,0,0|1,1,1]=4 416 B6R1.2 [13CH3]N1CC=CC1 269982a_100015195280_200025704644 [0,0,0,1,0,0|3,0,0]=4 417 B6R1.11 CC(=O)C1CC1 1458a_100000210395_200000210301 [0,0,0,1,0,0|1,0,2]=4 418 B6R1.11 CC(=O)C1CO1 1458a_100000701028_200000210301 [0,0,0,1,0,0|2,0,1]=4 419 B6R1.11 [13CH3]C(=O)C1CC1 1458a_100000210395_200025704644 [0,0,0,1,0,0|1,0,2]=4 420 B6R1.11 [13CH3]C(=O)C1CO1 1458a_100000701028_200025704644 [0,0,0,1,0,0|2,0,1]=4 421 B3R0.1 CCOC 34a_100121572206_200000210301 [2,0,0,0,0,0|0,0,2]=4 422 B3R0.1 CCOC 34a_100138415774_100000210202 [2,0,0,0,0,0|0,0,2]=4 423 B3R0.1 CCO[13CH3] 34a_100121572206_200025704644 [2,0,0,0,0,0|0,0,2]=4 424 B3R0.1 COCF 34a_100138415774_100015361967 [2,0,0,0,0,0|1,0,1]=4 425 B3R0.2 CC(=O)C 1458a_100000070787_200000210301 [2,0,0,0,0,0|0,0,1]=3 426 B3R0.2 CC(=O)[13CH3] 1458a_100000070787_200025704644 [2,0,0,0,0,0|0,0,1]=3 427 B5R0.3 C#CC(=O)CC 1458a_100000211873_100000210202 [1,1,0,0,0,0|0,0,2]=4 428 B5R0.3 C#CC(=O)CF 1458a_100000211873_100015361967 [1,1,0,0,0,0|0,0,2]=4 429 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [1,1,0,0,0,0|0,0,0]=2 430 B5R0.3 C=CC(=O)CF 1458a_100000185746_100015361967 [1,1,0,0,0,0|0,0,0]=2 431 B5R0.3 C=CC(=O)NC 1626a_100102657272_100000185746 [1,1,0,0,0,0|0,0,0]=2 432 B5R0.3 C=CC(=O)NC 240690a_100102657272_200121576911 [1,1,0,0,0,0|0,0,0]=2 433 B5R0.3 C=CC(C)OC 34a_100000695699_200000210301 [1,1,0,0,0,0|0,0,2]=4 434 B5R0.3 C=CC(C)O[13CH3] 34a_100000695699_200025704644 [1,1,0,0,0,0|0,0,2]=4 435 B5R0.3 C=CC(C)SC 62a_100011215867_200000210301 [1,1,0,0,0,0|0,1,1]=4 436 B5R0.3 C=CC(C)S[13CH3] 62a_100011215867_200025704644 [1,1,0,0,0,0|0,1,1]=4 437 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [1,1,0,0,0,0|0,0,2]=4 438 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [1,1,0,0,0,0|0,0,2]=4 439 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [1,1,0,0,0,0|0,0,2]=4 440 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [1,1,0,0,0,0|0,0,2]=4 441 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [1,1,0,0,0,0|0,0,2]=4 442 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [1,1,0,0,0,0|0,0,2]=4 443 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [1,1,0,0,0,0|0,0,2]=4 444 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [1,1,0,0,0,0|1,0,1]=4 445 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [1,1,0,0,0,0|1,0,1]=4 446 B5R0.3 CNC(=O)NC 2708a_100102657272_106832991635 [1,1,0,0,0,0|1,0,1]=4 447 B5R0.3 CNC(=O)NC 273464a_100102657272_100102657272 [1,1,0,0,0,0|1,0,1]=4 448 B5R0.3 CNC(=O)NC 512a_106832991638_100102657272 [1,1,0,0,0,0|1,0,1]=4 449 B5R0.3 O=C(CO)CF 1458a_100000210174_100015361967 [1,1,0,0,0,0|1,0,1]=4 450 B5R0.5 C=C(C)C(=O)C 1458a_100000185857_200000210301 [1,1,0,0,0,0|0,0,0]=2 451 B5R0.5 C=C(C)C(=O)[13CH3] 1458a_100000185857_200025704644 [1,1,0,0,0,0|0,0,0]=2 452 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [1,1,0,0,0,0|0,0,2]=4 453 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [1,1,0,0,0,0|0,0,2]=4 454 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [1,1,0,0,0,0|0,0,2]=4 455 B5R0.5 CC(=O)C(O)O 1458a_100000233687_200000210301 [1,1,0,0,0,0|1,0,1]=4 456 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [1,1,0,0,0,0|1,0,1]=4 457 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [1,1,0,0,0,0|1,0,1]=4 458 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [1,1,0,0,0,0|1,0,1]=4 459 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [1,1,0,0,0,0|1,0,1]=4 460 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [1,1,0,0,0,0|0,0,2]=4 461 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [1,1,0,0,0,0|0,0,2]=4 462 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [1,1,0,0,0,0|0,0,2]=4 463 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [1,1,0,0,0,0|0,0,2]=4 464 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [1,1,0,0,0,0|0,0,2]=4 465 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [1,1,0,0,0,0|0,0,2]=4 466 B5R0.5 [13CH3]C(=O)C(O)O 1458a_100000233687_200025704644 [1,1,0,0,0,0|1,0,1]=4 467 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [1,1,0,0,0,0|2,0,0]=4 468 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [1,1,0,0,0,0|2,0,0]=4 469 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [1,1,0,0,0,0|2,0,0]=4 470 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [1,1,0,0,0,0|2,0,0]=4 471 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [1,1,0,0,0,0|2,0,0]=4 472 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [1,1,0,0,0,0|2,0,0]=4 473 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [1,1,0,0,0,0|2,0,0]=4 474 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [1,1,0,0,0,0|2,0,0]=4 475 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [1,1,0,0,0,0|2,0,0]=4 476 B5R0.2 C=CCCNC 2230a_100015191253_200000210301 [1,1,0,0,0,0|1,0,1]=4 477 B5R0.2 C=CCCNC 2230a_106832991635_100000754431 [1,1,0,0,0,0|1,0,1]=4 478 B5R0.2 C=CCCNC 34a_100102657272_100000754431 [1,1,0,0,0,0|1,0,1]=4 479 B5R0.2 C=CCCNC 7a_106832991635_100000754431 [1,1,0,0,0,0|1,0,1]=4 480 B5R0.2 C=CCCN[13CH3] 2230a_100015191253_200025704644 [1,1,0,0,0,0|1,0,1]=4 481 B5R0.2 C=CCCOC 34a_100011205117_200000210301 [1,1,0,0,0,0|1,0,1]=4 482 B5R0.2 C=CCCOC 34a_100138415774_100000754431 [1,1,0,0,0,0|1,0,1]=4 483 B5R0.2 C=CCCO[13CH3] 34a_100011205117_200025704644 [1,1,0,0,0,0|1,0,1]=4 484 B5R0.2 C=CCCSC 62a_100000754431_200000210301 [1,1,0,0,0,0|1,0,1]=4 485 B5R0.2 C=CCCSC 62a_200000210301_100000754431 [1,1,0,0,0,0|1,0,1]=4 486 B5R0.2 C=CCCS[13CH3] 62a_100000754431_200025704644 [1,1,0,0,0,0|1,0,1]=4 487 B5R0.2 C=CCCS[13CH3] 62a_200025704644_100000754431 [1,1,0,0,0,0|1,0,1]=4 488 B5R0.2 C=CCNCC 2230a_100015525214_100000210623 [1,1,0,0,0,0|1,0,1]=4 489 B5R0.2 C=CCNCC 2230a_100020586998_100000210202 [1,1,0,0,0,0|1,0,1]=4 490 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [1,1,0,0,0,0|0,0,1]=3 491 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [1,1,0,0,0,0|0,0,1]=3 492 B5R0.2 C=CCOCF 34a_200000210373_100015361967 [1,1,0,0,0,0|1,0,1]=4 493 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [1,1,0,0,0,0|0,1,1]=4 494 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [1,1,0,0,0,0|0,1,1]=4 495 B5R0.2 C=CCSCF 62a_100000210623_100015361967 [1,1,0,0,0,0|2,0,0]=4 496 B5R0.2 C=CCSCF 62a_100015361967_100000210623 [1,1,0,0,0,0|2,0,0]=4 497 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [1,1,0,0,0,0|2,0,0]=4 498 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [1,1,0,0,0,0|2,0,0]=4 499 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [1,1,0,0,0,0|2,0,0]=4 500 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [1,1,0,0,0,0|2,0,0]=4 501 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [1,1,0,0,0,0|2,0,0]=4 502 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [1,1,0,0,0,0|2,0,0]=4 503 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [1,1,0,0,0,0|2,0,0]=4 504 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [1,1,0,0,0,0|2,0,0]=4 505 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [1,1,0,0,0,0|0,0,2]=4 506 B7R0.2 C#CC(=O)CC(=C)C 1458a_100000211873_100000748629 [0,2,0,0,0,0|1,0,1]=4 507 B7R0.2 C#CC(=O)CC(=C)F 1458a_100000211873_100009893438 [0,2,0,0,0,0|1,0,1]=4 508 B7R0.2 C=C(C#N)CC(=O)C 1458a_100000070787_100000694840 [0,2,0,0,0,0|1,0,0]=3 509 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [0,2,0,0,0,0|1,0,0]=3 510 B7R0.2 C=C(C)CC(=O)CO 1458a_100000210174_100000748629 [0,2,0,0,0,0|1,0,0]=3 511 B7R0.2 C=C(F)CC(=O)CC 1458a_100000210414_100009893438 [0,2,0,0,0,0|1,0,0]=3 512 B7R0.2 C=C(F)CC(=O)CO 1458a_100000210174_100009893438 [0,2,0,0,0,0|1,0,0]=3 513 B7R0.2 C=CC(=O)CC(=C)C 1458a_100000185746_100000748629 [0,2,0,0,0,0|1,0,1]=4 514 B7R0.2 C=CC(=O)CC(=C)F 1458a_100000185746_100009893438 [0,2,0,0,0,0|1,0,1]=4 515 B7R0.2 C=CC(=O)CC(=O)N 1458a_100000185746_100000187820 [0,2,0,0,0,0|2,0,0]=4 516 B7R0.2 C=CC(=O)CC(=O)[O-] 1458a_100000185746_100020667443 [0,2,0,0,0,0|2,0,0]=4 517 B7R0.2 C=CC(C)CC(=O)C 1458a_100011934298_200000210301 [0,2,0,0,0,0|1,0,0]=3 518 B7R0.2 C=CC(C)CC(=O)[13CH3] 1458a_100011934298_200025704644 [0,2,0,0,0,0|1,0,0]=3 519 B7R0.2 C=CC(C)OC(C)C 34a_100000695699_100000210206 [0,2,0,0,0,0|1,0,1]=4 520 B7R0.2 CC(=CC(=O)CF)C 1458a_100000211388_100015361967 [0,2,0,0,0,0|1,0,1]=4 521 B7R0.2 CC(=CC(=O)CF)Cl 1458a_200042562850_100015361967 [0,2,0,0,0,0|1,0,1]=4 522 B7R0.2 CC(=CC(=O)CF)I 1458a_100025716642_100015361967 [0,2,0,0,0,0|1,0,1]=4 523 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_100009818208_200025704644 [0,2,0,0,0,0|0,0,2]=4 524 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_200025704644_100009818208 [0,2,0,0,0,0|0,0,2]=4 525 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [0,2,0,0,0,0|1,0,1]=4 526 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [0,2,0,0,0,0|1,0,1]=4 527 B7R0.2 CCC(=O)C=C(C)C 1458a_100000211388_100000210202 [0,2,0,0,0,0|1,0,1]=4 528 B7R0.2 CCC(=O)C=C(C)Cl 1458a_200042562850_100000210202 [0,2,0,0,0,0|1,0,1]=4 529 B7R0.2 CCC(=O)C=C(C)I 1458a_100025716642_100000210202 [0,2,0,0,0,0|1,0,1]=4 530 B7R0.2 CCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210202 [0,2,0,0,0,0|2,0,0]=4 531 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [0,2,0,0,0,0|1,0,1]=4 532 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [0,2,0,0,0,0|2,0,0]=4 533 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [0,2,0,0,0,0|2,0,0]=4 534 B7R0.2 CCC(=O)CC(=O)[O-] 1458a_100000210414_100020667443 [0,2,0,0,0,0|2,0,0]=4 535 B7R0.2 CNC(=O)C=C(C)C 11a_106832991635_100000211388 [0,2,0,0,0,0|1,0,1]=4 536 B7R0.2 CNC(=O)C=C(C)C 1626a_100102657272_100000211388 [0,2,0,0,0,0|1,0,1]=4 537 B7R0.2 CNC(=O)C=C(C)C 240690a_100102657272_100000211388 [0,2,0,0,0,0|1,0,1]=4 538 B7R0.2 CNC(=O)C=C(C)Cl 11a_106832991635_200042562850 [0,2,0,0,0,0|1,0,1]=4 539 B7R0.2 CNC(=O)C=C(C)Cl 1626a_100102657272_200042562850 [0,2,0,0,0,0|1,0,1]=4 540 B7R0.2 CNC(=O)C=C(C)Cl 240690a_100102657272_200042562850 [0,2,0,0,0,0|1,0,1]=4 541 B7R0.2 CNC(=O)C=C(C)I 11a_106832991635_100025716642 [0,2,0,0,0,0|1,0,1]=4 542 B7R0.2 CNC(=O)C=C(C)I 1626a_100102657272_100025716642 [0,2,0,0,0,0|1,0,1]=4 543 B7R0.2 CNC(=O)C=C(Cl)Cl 1626a_100102657272_100000137448 [0,2,0,0,0,0|2,0,0]=4 544 B7R0.2 CNC(=O)C=C(Cl)Cl 240690a_100102657272_100000137448 [0,2,0,0,0,0|2,0,0]=4 545 B7R0.2 CNC(=O)CC(=O)C 1458a_100000070787_100000183359 [0,2,0,0,0,0|1,0,1]=4 546 B7R0.2 CNC(=O)CC(=O)N 240690a_100102657272_100134613110 [0,2,0,0,0,0|2,0,0]=4 547 B7R0.2 CNC(=O)CC(=O)N 527a_100102657272_100134613110 [0,2,0,0,0,0|2,0,0]=4 548 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [0,2,0,0,0,0|1,0,1]=4 549 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [0,2,0,0,0,0|1,0,1]=4 550 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [0,2,0,0,0,0|1,0,1]=4 551 B7R0.2 CSC(C)OC(=O)C 62a_100009818208_200000210301 [0,2,0,0,0,0|0,0,2]=4 552 B7R0.2 CSC(C)OC(=O)C 62a_200000210301_100009818208 [0,2,0,0,0,0|0,0,2]=4 553 B7R0.2 NC(=O)CC(=O)CF 1458a_100134613110_100015361967 [0,2,0,0,0,0|2,0,0]=4 554 B7R0.2 NC(=O)CC(=O)CO 1458a_100000210174_100000187820 [0,2,0,0,0,0|2,0,0]=4 555 B7R0.2 O=C(C=C(Cl)Cl)CF 1458a_100000137448_100015361967 [0,2,0,0,0,0|2,0,0]=4 556 B7R0.2 O=C([O-])CC(=O)CO 1458a_100000210174_100020667443 [0,2,0,0,0,0|2,0,0]=4 557 B7R0.3 C#CC(=O)C/C=C/C 1458a_100000211873_100102629194 [0,2,0,0,0,0|1,0,1]=4 558 B7R0.3 C#CC(=O)CC=CC 1458a_100000211873_100000070051 [0,2,0,0,0,0|1,0,1]=4 559 B7R0.3 C#CC(=O)CCC=C 1458a_100000211873_100000754431 [0,2,0,0,0,0|1,0,1]=4 560 B7R0.3 C#CC(C)OCC=C 34a_200000210373_200000035995 [0,2,0,0,0,0|1,0,1]=4 561 B7R0.3 C#C[C@@H](C)OCC=C 34a_100009815206_100015514636 [0,2,0,0,0,0|1,0,1]=4 562 B7R0.3 C#C[C@@H](C)OCC=C 7a_100009815206_100015514636 [0,2,0,0,0,0|1,0,1]=4 563 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [0,2,0,0,0,0|1,0,0]=3 564 B7R0.3 C/C=C/CC(=O)CO 1458a_100000210174_100102629194 [0,2,0,0,0,0|1,0,0]=3 565 B7R0.3 C=CC(=O)C/C=C/C 1458a_100000185746_100102629194 [0,2,0,0,0,0|1,0,1]=4 566 B7R0.3 C=CC(=O)CC=CC 1458a_100000185746_100000070051 [0,2,0,0,0,0|1,0,1]=4 567 B7R0.3 C=CC=CC(=O)CC 1458a_100016291481_100000210202 [0,2,0,0,0,0|1,0,0]=3 568 B7R0.3 C=CC=CC(=O)CF 1458a_100016291481_100015361967 [0,2,0,0,0,0|1,0,0]=3 569 B7R0.3 C=CC=CC(=O)NC 1626a_100102657272_100016291481 [0,2,0,0,0,0|1,0,0]=3 570 B7R0.3 C=CCCC(=O)C=C 1458a_100000185746_100000754431 [0,2,0,0,0,0|1,0,1]=4 571 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [0,2,0,0,0,0|1,0,0]=3 572 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [0,2,0,0,0,0|1,0,0]=3 573 B7R0.3 C=CCCC(=O)CF 1458a_100000749702_100015361967 [0,2,0,0,0,0|1,0,0]=3 574 B7R0.3 C=CCCC(=O)CO 1458a_100000210174_100000754431 [0,2,0,0,0,0|1,0,0]=3 575 B7R0.3 C=CCCC(=O)NC 11a_106832991635_100000749702 [0,2,0,0,0,0|1,0,0]=3 576 B7R0.3 C=CCCC(=O)NC 1626a_100102657272_100000749702 [0,2,0,0,0,0|1,0,0]=3 577 B7R0.3 C=CCCC(=O)NC 240690a_100102657272_100000749702 [0,2,0,0,0,0|1,0,0]=3 578 B7R0.3 C=CCCC(=O)NC 527a_100102657272_100000749702 [0,2,0,0,0,0|1,0,0]=3 579 B7R0.3 C=CCNC(=O)C=C 1626a_100020586998_100000185746 [0,2,0,0,0,0|1,0,1]=4 580 B7R0.3 C=CCNC(=O)C=C 240690a_100020586998_200121576911 [0,2,0,0,0,0|1,0,1]=4 581 B7R0.3 C=CCNC(=O)CC 1626a_100020586998_100000210414 [0,2,0,0,0,0|1,0,0]=3 582 B7R0.3 C=CCNC(=O)CC 240690a_100020586998_100000210414 [0,2,0,0,0,0|1,0,0]=3 583 B7R0.3 C=CCNC(=O)CC 527a_100020586998_100000210414 [0,2,0,0,0,0|1,0,0]=3 584 B7R0.3 C=CCNC(=O)CO 240690a_100020586998_100000210174 [0,2,0,0,0,0|1,0,0]=3 585 B7R0.3 C=CCNC(=O)CO 527a_100020586998_100000210174 [0,2,0,0,0,0|1,0,0]=3 586 B7R0.3 C=CCNC(=O)NC 2708a_100102657272_100020586998 [0,2,0,0,0,0|1,0,0]=3 587 B7R0.3 C=CCNC(=O)NC 273464a_100020586998_100102657272 [0,2,0,0,0,0|1,0,0]=3 588 B7R0.3 C=CCNC(=O)NC 273464a_100102657272_100020586998 [0,2,0,0,0,0|1,0,0]=3 589 B7R0.3 C=CCNC(=O)NC 512a_100020586998_100102657272 [0,2,0,0,0,0|1,0,0]=3 590 B7R0.3 C=CCNC(=O)NC 512a_106832991638_100020586998 [0,2,0,0,0,0|1,0,0]=3 591 B7R0.3 C=CCOC(C)C#N 34a_100011218135_100015514636 [0,2,0,0,0,0|1,0,1]=4 592 B7R0.3 C=CCOC(C)C=C 34a_100000695699_100015514636 [0,2,0,0,0,0|1,0,1]=4 593 B7R0.3 C=CCOC(C)CC 34a_200000210373_100011215416 [0,2,0,0,0,0|1,0,1]=4 594 B7R0.3 C=CCOC(C)CC 7a_100000210228_100015514636 [0,2,0,0,0,0|1,0,1]=4 595 B7R0.3 C=CCOC(C)CF 34a_100016041109_100015514636 [0,2,0,0,0,0|1,0,1]=4 596 B7R0.3 C=CCOC(C)CF 7a_100016041109_100015514636 [0,2,0,0,0,0|1,0,1]=4 597 B7R0.3 C=CCOC(C)CN 34a_100000210904_100015514636 [0,2,0,0,0,0|1,0,1]=4 598 B7R0.3 C=CCOC(C)CO 34a_200000210373_100012180447 [0,2,0,0,0,0|0,0,2]=4 599 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [0,2,0,0,0,0|1,0,0]=3 600 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [0,2,0,0,0,0|1,0,0]=3 601 B7R0.3 CC=CCC(=O)CF 1458a_100121576822_100015361967 [0,2,0,0,0,0|1,0,0]=3 602 B7R0.3 CC=CCC(=O)CO 1458a_100000210174_100000070051 [0,2,0,0,0,0|1,0,0]=3 603 B7R0.3 CC=CCC(=O)NC 11a_106832991635_100121576822 [0,2,0,0,0,0|1,0,0]=3 604 B7R0.3 CC=CCC(=O)NC 1626a_100102657272_100121576822 [0,2,0,0,0,0|1,0,0]=3 605 B7R0.3 CC=CCC(=O)NC 240690a_100102657272_100121576822 [0,2,0,0,0,0|1,0,0]=3 606 B7R0.3 CC=CCC(=O)NC 527a_100102657272_100121576822 [0,2,0,0,0,0|1,0,0]=3 607 B7R0.3 CC=NNC(=O)CC 4a_100000183195_200000210099 [0,2,0,0,0,0|1,0,1]=4 608 B7R0.3 CCC(=O)C=COC 1458a_100016268678_100000210202 [0,2,0,0,0,0|1,0,1]=4 609 B7R0.3 CCC(=O)COCF 34a_100000725409_100015361967 [0,2,0,0,0,0|1,0,1]=4 610 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [0,2,0,0,0,0|1,0,1]=4 611 B7R0.3 CCC=CC(=O)CF 1458a_100000212282_100015361967 [0,2,0,0,0,0|1,0,1]=4 612 B7R0.3 CCC=CC(=O)NC 11a_106832991635_100000212282 [0,2,0,0,0,0|1,0,1]=4 613 B7R0.3 CCC=CC(=O)NC 1626a_100102657272_100000212282 [0,2,0,0,0,0|1,0,1]=4 614 B7R0.3 CCC=CC(=O)NC 240690a_100102657272_100000212282 [0,2,0,0,0,0|1,0,1]=4 615 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [0,2,0,0,0,0|0,0,2]=4 616 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [0,2,0,0,0,0|0,0,2]=4 617 B7R0.3 CCOCC(=O)CF 1458a_100000211967_100015361967 [0,2,0,0,0,0|0,0,2]=4 618 B7R0.3 CCOCC(=O)NC 11a_106832991635_100000211967 [0,2,0,0,0,0|0,0,2]=4 619 B7R0.3 CCOCC(=O)NC 1626a_100102657272_100000211967 [0,2,0,0,0,0|0,0,2]=4 620 B7R0.3 CCOCC(=O)NC 240690a_100102657272_100000211967 [0,2,0,0,0,0|0,0,2]=4 621 B7R0.3 CCOCC(=O)NC 34a_100000750040_100000210202 [0,2,0,0,0,0|0,0,2]=4 622 B7R0.3 CCOCC(=O)NC 34a_100121572206_100000183359 [0,2,0,0,0,0|0,0,2]=4 623 B7R0.3 CCOCC(=O)NC 527a_100102657272_100000211967 [0,2,0,0,0,0|0,0,2]=4 624 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [0,2,0,0,0,0|0,0,2]=4 625 B7R0.3 CNC(=O)C=COC 1626a_100102657272_100016268678 [0,2,0,0,0,0|1,0,1]=4 626 B7R0.3 CNC(=O)C=COC 240690a_100102657272_100016268678 [0,2,0,0,0,0|1,0,1]=4 627 B7R0.3 CNC(=O)COCF 34a_100000750040_100015361967 [0,2,0,0,0,0|1,0,1]=4 628 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [0,2,0,0,0,0|0,0,2]=4 629 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [0,2,0,0,0,0|0,0,2]=4 630 B7R0.3 COC=CC(=O)CF 1458a_100016268678_100015361967 [0,2,0,0,0,0|1,0,1]=4 631 B7R0.5 C=CCC(=O)C(=C)C 1458a_100000185857_100000210623 [0,2,0,0,0,0|1,0,0]=3 632 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210193_100000210206 [0,2,0,0,0,0|1,0,0]=3 633 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210198_100000210623 [0,2,0,0,0,0|1,0,0]=3 634 B7R0.5 C=CCC(=O)C(C)F 1458a_100000062450_100000210623 [0,2,0,0,0,0|1,0,0]=3 635 B7R0.5 C=CCC(=O)C(O)O 1458a_100000233687_100000210623 [0,2,0,0,0,0|1,0,0]=3 636 B7R0.5 C=CCC(=O)N(C)C 11a_100102631434_100000210193 [0,2,0,0,0,0|1,0,0]=3 637 B7R0.5 C=CCC(=O)N(C)C 1626a_100102631434_100000210193 [0,2,0,0,0,0|1,0,0]=3 638 B7R0.5 C=CCC(=O)N(C)C 240690a_100102631434_100000210193 [0,2,0,0,0,0|1,0,0]=3 639 B7R0.5 C=CCC(=O)N(C)C 527a_100102631434_100000210193 [0,2,0,0,0,0|1,0,0]=3 640 B7R0.5 C=CCC(=O)[C@@H](C)O 1458a_100000717761_100000210623 [0,2,0,0,0,0|1,0,0]=3 641 B7R0.5 C=CCC(=O)[C@H](C)O 1458a_217856618621_100000210623 [0,2,0,0,0,0|1,0,0]=3 642 B7R0.5 C=CCC(C)C(=O)C 1458a_100011216819_200000210301 [0,2,0,0,0,0|1,0,0]=3 643 B7R0.5 C=CCC(C)C(=O)[13CH3] 1458a_100011216819_200025704644 [0,2,0,0,0,0|1,0,0]=3 644 B7R0.5 C=CCN(C)C(=O)C 11a_100000225617_100015343762 [0,2,0,0,0,0|1,0,0]=3 645 B7R0.5 C=CCN(C)C(=O)C 1626a_100000225617_100015343762 [0,2,0,0,0,0|1,0,0]=3 646 B7R0.5 C=CCN(C)C(=O)C 240690a_100000225617_100015343762 [0,2,0,0,0,0|1,0,0]=3 647 B7R0.5 C=CCN(C)C(=O)C 527a_100000225617_100103153847 [0,2,0,0,0,0|1,0,0]=3 648 B7R0.5 CC(=O)C(C)OCF 34a_100000212229_100015361967 [0,2,0,0,0,0|1,0,1]=4 649 B7R0.5 CC(C)C(=O)C=CBr 1458a_100016273825_100000210206 [0,2,0,0,0,0|2,0,0]=4 650 B7R0.5 CC(C)C(=O)C=CCl 1458a_200016279998_100000210206 [0,2,0,0,0,0|2,0,0]=4 651 B7R0.5 CC(C)C(=O)C=CI 1458a_100016256311_100000210206 [0,2,0,0,0,0|2,0,0]=4 652 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [0,2,0,0,0,0|1,0,1]=4 653 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [0,2,0,0,0,0|1,0,1]=4 654 B7R0.5 CC=CC(=O)C(C)C 1458a_100000210699_100000210206 [0,2,0,0,0,0|1,0,1]=4 655 B7R0.5 CC=CC(=O)N(C)C 11a_100102631434_100000210699 [0,2,0,0,0,0|1,0,1]=4 656 B7R0.5 CC=CC(=O)N(C)C 1626a_100102631434_100000210699 [0,2,0,0,0,0|1,0,1]=4 657 B7R0.5 CC=CC(=O)N(C)C 240690a_100102631434_100000210699 [0,2,0,0,0,0|1,0,1]=4 658 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [0,2,0,0,0,0|0,0,2]=4 659 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [0,2,0,0,0,0|0,0,2]=4 660 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [0,2,0,0,0,0|0,0,2]=4 661 B7R0.5 CN(C)C(=O)C=CBr 1626a_100102631434_100016273825 [0,2,0,0,0,0|2,0,0]=4 662 B7R0.5 CN(C)C(=O)C=CBr 240690a_100102631434_100016273825 [0,2,0,0,0,0|2,0,0]=4 663 B7R0.5 CN(C)C(=O)C=CCl 11a_100102631434_200016279998 [0,2,0,0,0,0|2,0,0]=4 664 B7R0.5 CN(C)C(=O)C=CCl 1626a_100102631434_200016279998 [0,2,0,0,0,0|2,0,0]=4 665 B7R0.5 CN(C)C(=O)C=CCl 240690a_100102631434_200016279998 [0,2,0,0,0,0|2,0,0]=4 666 B7R0.5 CN(C)C(=O)C=CI 1626a_100102631434_100016256311 [0,2,0,0,0,0|2,0,0]=4 667 B7R0.7 C#CCC(=O)C=CBr 1458a_100016273825_100000184674 [0,2,0,0,0,0|2,0,0]=4 668 B7R0.7 C#CCC(=O)C=CC 1458a_100000210699_100000184674 [0,2,0,0,0,0|1,0,1]=4 669 B7R0.7 C#CCC(=O)C=CCl 1458a_200016279998_100000184674 [0,2,0,0,0,0|2,0,0]=4 670 B7R0.7 C#CCC(=O)C=CI 1458a_100016256311_100000184674 [0,2,0,0,0,0|2,0,0]=4 671 B7R0.7 C#CCC(=O)CC=C 1458a_100000210193_100000184674 [0,2,0,0,0,0|1,0,0]=3 672 B7R0.7 C#CCC(=O)CC=C 1458a_100011220946_100000210623 [0,2,0,0,0,0|1,0,0]=3 673 B7R0.7 C=CCC(=O)C#CC 1458a_100000763181_100000210623 [0,2,0,0,0,0|1,0,0]=3 674 B7R0.7 C=CCC(=O)C=CBr 1458a_100016273825_100000210623 [0,2,0,0,0,0|1,0,1]=4 675 B7R0.7 C=CCC(=O)C=CC 1458a_100000210699_100000210623 [0,2,0,0,0,0|1,0,0]=3 676 B7R0.7 C=CCC(=O)C=CCl 1458a_200016279998_100000210623 [0,2,0,0,0,0|1,0,1]=4 677 B7R0.7 C=CCC(=O)C=CI 1458a_100016256311_100000210623 [0,2,0,0,0,0|1,0,1]=4 678 B7R0.7 C=CCC(=O)CC#N 1458a_100000210193_100011214920 [0,2,0,0,0,0|1,0,0]=3 679 B7R0.7 C=CCC(=O)CC#N 1458a_100051588842_100000210623 [0,2,0,0,0,0|1,0,0]=3 680 B7R0.7 C=CCC(=O)CC=C 1458a_100000210193_100000210623 [0,2,0,0,0,0|1,0,0]=3 681 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [0,2,0,0,0,0|1,0,0]=3 682 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [0,2,0,0,0,0|1,0,0]=3 683 B7R0.7 C=CCC(=O)CCF 1458a_100000210193_100011217306 [0,2,0,0,0,0|1,0,0]=3 684 B7R0.7 C=CCC(=O)CCO 1458a_100000210193_100000211926 [0,2,0,0,0,0|1,0,0]=3 685 B7R0.7 C=CCC(=O)CCO 1458a_100011216618_100000210623 [0,2,0,0,0,0|1,0,0]=3 686 B7R0.7 C=CCC(=O)COC 1458a_100000210968_100000210623 [0,2,0,0,0,0|1,0,0]=3 687 B7R0.7 C=CCC(=O)CSC 1458a_100000184570_100000210623 [0,2,0,0,0,0|1,0,0]=3 688 B7R0.7 C=CCC(=O)NCC 11a_100015525214_100000210193 [0,2,0,0,0,0|1,0,0]=3 689 B7R0.7 C=CCC(=O)NCC 240690a_100015525214_100000210193 [0,2,0,0,0,0|1,0,0]=3 690 B7R0.7 C=CCC(=O)NCC 527a_100015525214_100000210193 [0,2,0,0,0,0|1,0,0]=3 691 B7R0.7 C=CCC(=O)NNC 22a_100016993582_100000210193 [0,2,0,0,0,0|1,0,0]=3 692 B7R0.7 C=CCN(C)CC=O 2230a_100000225617_200015260668 [0,2,0,0,0,0|2,0,0]=4 693 B7R0.7 C=CCN(C)CC=O 269982a_100000225617_200015260668 [0,2,0,0,0,0|2,0,0]=4 694 B7R0.7 C=COC(=O)CNC 2230a_106832991635_100000036128 [0,2,0,0,0,0|0,0,0]=2 695 B7R0.7 C=COC(=O)CNC 34a_100102657272_100000036128 [0,2,0,0,0,0|0,0,0]=2 696 B7R0.7 C=COC(=O)COC 34a_100138415774_100000036128 [0,2,0,0,0,0|0,0,0]=2 697 B7R0.7 C=COC(=O)CSC 62a_100000036128_200000210301 [0,2,0,0,0,0|0,0,0]=2 698 B7R0.7 C=COC(=O)CSC 62a_200000210301_100000036128 [0,2,0,0,0,0|0,0,0]=2 699 B7R0.7 C=COC(=O)CS[13CH3] 62a_100000036128_200025704644 [0,2,0,0,0,0|0,0,0]=2 700 B7R0.7 C=COC(=O)CS[13CH3] 62a_200025704644_100000036128 [0,2,0,0,0,0|0,0,0]=2 701 B7R0.7 CC=CC(=O)CC#N 1458a_100000210699_100011214920 [0,2,0,0,0,0|1,0,1]=4 702 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [0,2,0,0,0,0|1,0,1]=4 703 B7R0.7 CC=CC(=O)CCF 1458a_100000210699_100011217306 [0,2,0,0,0,0|1,0,1]=4 704 B7R0.7 CC=CC(=O)CCO 1458a_100000210699_100000211926 [0,2,0,0,0,0|1,0,1]=4 705 B7R0.7 CC=CC(=O)NCC 11a_100015525214_100000210699 [0,2,0,0,0,0|1,0,1]=4 706 B7R0.7 CC=CC(=O)NCC 240690a_100015525214_100000210699 [0,2,0,0,0,0|1,0,1]=4 707 B7R0.7 CC=CC(=O)NNC 22a_100016993582_100000210699 [0,2,0,0,0,0|1,0,1]=4 708 B7R0.7 CCCC(=O)C=CBr 1458a_100016273825_100000210303 [0,2,0,0,0,0|2,0,0]=4 709 B7R0.7 CCCC(=O)C=CCl 1458a_200016279998_100000210303 [0,2,0,0,0,0|2,0,0]=4 710 B7R0.7 CCCC(=O)C=CI 1458a_100016256311_100000210303 [0,2,0,0,0,0|2,0,0]=4 711 B7R0.7 CCNC(=O)C=CBr 240690a_100015525214_100016273825 [0,2,0,0,0,0|2,0,0]=4 712 B7R0.7 CCNC(=O)C=CCl 11a_100015525214_200016279998 [0,2,0,0,0,0|2,0,0]=4 713 B7R0.7 CCNC(=O)C=CCl 240690a_100015525214_200016279998 [0,2,0,0,0,0|2,0,0]=4 714 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [0,2,0,0,0,0|0,0,2]=4 715 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [0,2,0,0,0,0|0,0,2]=4 716 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [0,2,0,0,0,0|0,0,2]=4 717 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [0,2,0,0,0,0|0,0,2]=4 718 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [0,2,0,0,0,0|0,0,2]=4 719 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [0,2,0,0,0,0|0,0,2]=4 720 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [0,2,0,0,0,0|0,0,2]=4 721 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [0,2,0,0,0,0|0,0,2]=4 722 B7R0.7 N#CCC(=O)C=CBr 1458a_100016273825_100011214920 [0,2,0,0,0,0|2,0,0]=4 723 B7R0.7 N#CCC(=O)C=CCl 1458a_200016279998_100011214920 [0,2,0,0,0,0|2,0,0]=4 724 B7R0.7 N#CCC(=O)C=CI 1458a_100016256311_100011214920 [0,2,0,0,0,0|2,0,0]=4 725 B7R0.7 O=C(C=CBr)CCF 1458a_100016273825_100011217306 [0,2,0,0,0,0|2,0,0]=4 726 B7R0.7 O=C(C=CBr)CCO 1458a_100016273825_100000211926 [0,2,0,0,0,0|2,0,0]=4 727 B7R0.7 O=C(C=CCl)CCF 1458a_200016279998_100011217306 [0,2,0,0,0,0|2,0,0]=4 728 B7R0.7 O=C(C=CCl)CCO 1458a_200016279998_100000211926 [0,2,0,0,0,0|2,0,0]=4 729 B7R0.7 O=C(C=CI)CCF 1458a_100016256311_100011217306 [0,2,0,0,0,0|2,0,0]=4 730 B7R0.7 O=C(C=CI)CCO 1458a_100016256311_100000211926 [0,2,0,0,0,0|2,0,0]=4 731 B7R0.10 C/C=C(\C)/C(=O)CC 1458a_100020587367_100000210202 [0,2,0,0,0,0|1,0,1]=4 732 B7R0.10 C/C=C(\C)/C(=O)CF 1458a_100020587367_100015361967 [0,2,0,0,0,0|1,0,1]=4 733 B7R0.10 C/C=C(\C)/C(=O)NC 11a_106832991635_100020587367 [0,2,0,0,0,0|1,0,1]=4 734 B7R0.10 C/C=C(\C)/C(=O)NC 1626a_100102657272_100020587367 [0,2,0,0,0,0|1,0,1]=4 735 B7R0.10 C=CC(C)C(=O)CC 1458a_100011216780_100000210202 [0,2,0,0,0,0|1,0,0]=3 736 B7R0.10 C=CC(C)C(=O)CF 1458a_100011216780_100015361967 [0,2,0,0,0,0|1,0,0]=3 737 B7R0.10 C=CC(C)C(=O)NC 11a_106832991635_100011216780 [0,2,0,0,0,0|1,0,0]=3 738 B7R0.10 C=CC(C)C(=O)NC 1626a_100102657272_100011216780 [0,2,0,0,0,0|1,0,0]=3 739 B7R0.10 C=CC(C)C(=O)NC 240690a_100102657272_100011216780 [0,2,0,0,0,0|1,0,0]=3 740 B7R0.10 C=CC(C)C(=O)NC 527a_100102657272_100011216780 [0,2,0,0,0,0|1,0,0]=3 741 B7R0.11 C=CCS(=O)(=O)NC 270084a_100102657272_100000751117 [0,2,0,0,0,0|2,0,0]=4 742 B7R0.11 C=CCS(=O)(=O)NC 274078a_100102657272_100000751117 [0,2,0,0,0,0|2,0,0]=4 743 B7R0.16 CC(=O)C(C)C(=O)C 1458a_100000070787_100000179758 [0,2,0,0,0,0|1,0,1]=4 744 B7R0.16 CC(=O)C(C)C(=O)N 1458a_100000070787_100000702099 [0,2,0,0,0,0|2,0,0]=4 745 B7R0.16 CC(=O)C(F)C(=O)N 1458a_100000070787_100009813875 [0,2,0,0,0,0|2,0,0]=4 746 B7R0.16 CC(=O)C(F)C(=O)[O-] 1458a_100000070787_100020610796 [0,2,0,0,0,0|2,0,0]=4 747 B7R0.13 C=CC(C)(C)C(=O)C 1458a_100012027013_200000210301 [0,2,0,0,0,0|1,0,0]=3 748 B7R0.13 C=CC(C)(C)C(=O)[13CH3] 1458a_100012027013_200025704644 [0,2,0,0,0,0|1,0,0]=3 749 B7R0.15 C=C[C@H](NC)C(=O)O 269956a_100016992060_200000210301 [0,2,0,0,0,0|2,0,0]=4 750 B7R0.15 C=C[C@H](N[13CH3])C(=O)O 269956a_100016992060_200025704644 [0,2,0,0,0,0|2,0,0]=4 751 B7R0.4 C#CCOCC(=O)C 1458a_100011251226_200000210301 [0,2,0,0,0,0|0,0,2]=4 752 B7R0.4 C#CCOCC(=O)C 34a_100000211253_100000184674 [0,2,0,0,0,0|0,0,2]=4 753 B7R0.4 C#CCOCC(=O)[13CH3] 1458a_100011251226_200025704644 [0,2,0,0,0,0|0,0,2]=4 754 B7R0.4 C/C=C/C=CC(=O)C 1458a_100000185730_200000210301 [0,2,0,0,0,0|1,0,0]=3 755 B7R0.4 C/C=C/C=CC(=O)[13CH3] 1458a_100000185730_200025704644 [0,2,0,0,0,0|1,0,0]=3 756 B7R0.4 C/C=C/COC(C)C 34a_100000212225_100102629194 [0,2,0,0,0,0|1,0,1]=4 757 B7R0.4 C/C=C/COC(C)C 34a_100016270725_100000210206 [0,2,0,0,0,0|1,0,1]=4 758 B7R0.4 C=C(C)COCC=O 34a_100000210245_200009817547 [0,2,0,0,0,0|1,0,1]=4 759 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [0,2,0,0,0,0|1,0,0]=3 760 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [0,2,0,0,0,0|1,0,0]=3 761 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [0,2,0,0,0,0|1,0,0]=3 762 B7R0.4 C=CCCNC(=O)C 11a_100015191253_100015343762 [0,2,0,0,0,0|1,0,0]=3 763 B7R0.4 C=CCCNC(=O)C 1626a_100015191253_100015343762 [0,2,0,0,0,0|1,0,0]=3 764 B7R0.4 C=CCCNC(=O)C 240690a_100015191253_100015343762 [0,2,0,0,0,0|1,0,0]=3 765 B7R0.4 C=CCCNC(=O)C 527a_100015191253_100103153847 [0,2,0,0,0,0|1,0,0]=3 766 B7R0.4 C=CCCOC(C)C 34a_100000212225_100000754431 [0,2,0,0,0,0|1,0,1]=4 767 B7R0.4 C=CCCOC(C)C 34a_100011205117_100000210206 [0,2,0,0,0,0|1,0,1]=4 768 B7R0.4 C=CCNCC(=C)C 2230a_100020586998_100000748629 [0,2,0,0,0,0|2,0,0]=4 769 B7R0.4 C=CCNCC(=O)N 2230a_100000711301_100000210623 [0,2,0,0,0,0|2,0,0]=4 770 B7R0.4 C=CCNCC(=O)N 2230a_100020586998_100000747473 [0,2,0,0,0,0|2,0,0]=4 771 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [0,2,0,0,0,0|2,0,0]=4 772 B7R0.4 C=CCNNC(=O)C 22a_100020588587_100000070787 [0,2,0,0,0,0|1,0,0]=3 773 B7R0.4 C=CCOCC(=C)C 34a_100000210245_100015514636 [0,2,0,0,0,0|1,0,0]=3 774 B7R0.4 C=CCOCC(=C)C 34a_200000210373_100000748629 [0,2,0,0,0,0|1,0,0]=3 775 B7R0.4 C=CCOCC(=C)F 34a_200000210373_100009893438 [0,2,0,0,0,0|1,0,1]=4 776 B7R0.4 C=CCOCC(=C)F 34a_200010262243_100015514636 [0,2,0,0,0,0|1,0,1]=4 777 B7R0.4 C=CCOCC(=O)C 34a_100000211253_100015514636 [0,2,0,0,0,0|0,0,0]=2 778 B7R0.4 C=CCOCC(=O)N 34a_200000210373_100000187820 [0,2,0,0,0,0|1,0,0]=3 779 B7R0.4 C=CCOCC(=O)[O-] 34a_200000210373_100020667443 [0,2,0,0,0,0|1,0,0]=3 780 B7R0.4 C=CCOCC(C)Br 34a_100012180447_100015514636 [0,2,0,0,0,0|1,0,1]=4 781 B7R0.4 C=CCOCC(C)C 34a_100000210257_100015514636 [0,2,0,0,0,0|1,0,1]=4 782 B7R0.4 C=CCOCC(C)C 34a_200000210373_100000210624 [0,2,0,0,0,0|1,0,1]=4 783 B7R0.4 C=CCOCC(C)F 34a_100015925927_100015514636 [0,2,0,0,0,0|1,0,1]=4 784 B7R0.4 C=CCOCC(C)O 34a_200000210373_100011218427 [0,2,0,0,0,0|0,0,2]=4 785 B7R0.4 C=CCOC[C@@H](C)Cl 34a_100016084084_100015514636 [0,2,0,0,0,0|1,0,1]=4 786 B7R0.4 C=CCOC[C@@H](C)N 34a_100000737577_100015514636 [0,2,0,0,0,0|1,0,1]=4 787 B7R0.4 C=CCOC[C@@H](C)O 34a_200000210373_100009817552 [0,2,0,0,0,0|0,0,2]=4 788 B7R0.4 C=CCOC[N+](=O)[O-] 34a_200000210373_100000761209 [0,2,0,0,0,0|2,0,0]=4 789 B7R0.4 C=CCSCC(=C)C 62a_100000210623_100000211660 [0,2,0,0,0,0|1,1,0]=4 790 B7R0.4 C=CCSCC(=C)C 62a_100000748629_100000210623 [0,2,0,0,0,0|1,1,0]=4 791 B7R0.4 C=CCSCC(=O)C 1458a_100000230395_200000210301 [0,2,0,0,0,0|0,1,0]=3 792 B7R0.4 C=CCSCC(=O)N 62a_100000210623_100000747473 [0,2,0,0,0,0|1,1,0]=4 793 B7R0.4 C=CCSCC(=O)N 62a_100000747473_100000210623 [0,2,0,0,0,0|1,1,0]=4 794 B7R0.4 C=CCSCC(=O)[13CH3] 1458a_100000230395_200025704644 [0,2,0,0,0,0|0,1,0]=3 795 B7R0.4 C=CCSCC(=O)[O-] 62a_100000210623_100020667443 [0,2,0,0,0,0|1,1,0]=4 796 B7R0.4 C=CCSCC(=O)[O-] 62a_100020667443_100000210623 [0,2,0,0,0,0|1,1,0]=4 797 B7R0.4 C=COCCC(=O)C 1458a_100000070787_100000039644 [0,2,0,0,0,0|0,0,0]=2 798 B7R0.4 C=COCCN(C)C 2230a_100102631434_100000039644 [0,2,0,0,0,0|2,0,0]=4 799 B7R0.4 C=COCCN(C)C 269982a_100102631434_100000039644 [0,2,0,0,0,0|2,0,0]=4 800 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [0,2,0,0,0,0|1,0,1]=4 801 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [0,2,0,0,0,0|1,0,1]=4 802 B7R0.4 CC(=O)COCC=O 34a_100000211253_200009817547 [0,2,0,0,0,0|0,0,1]=3 803 B7R0.4 CC(=O)COCCF 34a_100000211253_100011217306 [0,2,0,0,0,0|0,0,2]=4 804 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [0,2,0,0,0,0|0,0,2]=4 805 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [0,2,0,0,0,0|0,0,2]=4 806 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [0,2,0,0,0,0|0,0,2]=4 807 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [0,2,0,0,0,0|0,0,2]=4 808 B7R0.4 CC(=O)OCSCF 62a_100000076356_100015361967 [0,2,0,0,0,0|0,0,2]=4 809 B7R0.4 CC(=O)OCSCF 62a_100015361967_100000076356 [0,2,0,0,0,0|0,0,2]=4 810 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [0,2,0,0,0,0|1,0,0]=3 811 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [0,2,0,0,0,0|1,0,0]=3 812 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [0,2,0,0,0,0|1,0,0]=3 813 B7R0.4 CC=CCOC(C)C 34a_100000212225_100000070051 [0,2,0,0,0,0|1,0,1]=4 814 B7R0.4 CCC=NNC(=O)C 4a_100000189765_100000210100 [0,2,0,0,0,0|1,0,1]=4 815 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [0,2,0,0,0,0|1,0,1]=4 816 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [0,2,0,0,0,0|1,0,1]=4 817 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [0,2,0,0,0,0|0,0,2]=4 818 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [0,2,0,0,0,0|0,0,2]=4 819 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [0,2,0,0,0,0|0,0,2]=4 820 B7R0.4 CCOC=CC(=O)C 1458a_100016266692_200000210301 [0,2,0,0,0,0|0,0,2]=4 821 B7R0.4 CCOC=CC(=O)[13CH3] 1458a_100016266692_200025704644 [0,2,0,0,0,0|0,0,2]=4 822 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [0,2,0,0,0,0|0,0,2]=4 823 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [0,2,0,0,0,0|0,0,2]=4 824 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [0,2,0,0,0,0|0,0,2]=4 825 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [0,2,0,0,0,0|0,0,2]=4 826 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [0,2,0,0,0,0|0,0,2]=4 827 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [0,2,0,0,0,0|0,0,2]=4 828 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [0,2,0,0,0,0|0,0,2]=4 829 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [0,2,0,0,0,0|0,0,2]=4 830 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [0,2,0,0,0,0|0,0,2]=4 831 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [0,2,0,0,0,0|0,0,2]=4 832 B7R0.4 COCC=CC(=O)C 1458a_100016285016_200000210301 [0,2,0,0,0,0|1,0,1]=4 833 B7R0.4 COCC=CC(=O)[13CH3] 1458a_100016285016_200025704644 [0,2,0,0,0,0|1,0,1]=4 834 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [0,2,0,0,0,0|0,0,2]=4 835 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [0,2,0,0,0,0|0,0,2]=4 836 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [0,2,0,0,0,0|0,0,2]=4 837 B7R0.4 CSCOCC(=O)C 34a_100000211253_100011218213 [0,2,0,0,0,0|0,0,2]=4 838 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [0,2,0,0,0,0|0,0,2]=4 839 B7R0.6 C=C(C)CCC(=O)C 1458a_100000070787_100000730704 [0,2,0,0,0,0|1,0,0]=3 840 B7R0.6 C=C(C)CCC(=O)C 1458a_200000688413_200000210301 [0,2,0,0,0,0|1,0,0]=3 841 B7R0.6 C=C(C)CCC(=O)[13CH3] 1458a_200000688413_200025704644 [0,2,0,0,0,0|1,0,0]=3 842 B7R0.6 C=C(C)CNC(=O)C 11a_100000765925_100015343762 [0,2,0,0,0,0|1,0,0]=3 843 B7R0.6 C=C(C)CNC(=O)C 1626a_100000765925_100015343762 [0,2,0,0,0,0|1,0,0]=3 844 B7R0.6 C=C(C)CNC(=O)C 240690a_100000765925_100015343762 [0,2,0,0,0,0|1,0,0]=3 845 B7R0.6 C=C(C)CNC(=O)C 527a_100000765925_100103153847 [0,2,0,0,0,0|1,0,0]=3 846 B7R0.6 C=C(C)COC(C)C 34a_100000210245_100000210206 [0,2,0,0,0,0|1,0,1]=4 847 B7R0.6 C=C(C)COC(C)C 34a_100000212225_100000748629 [0,2,0,0,0,0|1,0,1]=4 848 B7R0.6 C=C(F)COC(C)C 34a_100000212225_100009893438 [0,2,0,0,0,0|1,0,1]=4 849 B7R0.6 C=C(F)COC(C)C 34a_200010262243_100000210206 [0,2,0,0,0,0|1,0,1]=4 850 B7R0.6 CC(=CCC(=O)[13CH3])C 1458a_100011220947_200025704644 [0,2,0,0,0,0|1,0,0]=3 851 B7R0.6 CC(=O)C=CC(C)C 1458a_100016268746_200000210301 [0,2,0,0,0,0|1,0,1]=4 852 B7R0.6 CC(=O)CC=C(C)C 1458a_100000070787_100000761012 [0,2,0,0,0,0|1,0,0]=3 853 B7R0.6 CC(=O)CC=C(C)C 1458a_100011220947_200000210301 [0,2,0,0,0,0|1,0,0]=3 854 B7R0.6 CC(=O)CCC(=O)N 1458a_100011215257_200000210301 [0,2,0,0,0,0|1,0,1]=4 855 B7R0.6 CC(=O)CNC(=O)C 1458a_100000194580_200000210301 [0,2,0,0,0,0|1,0,1]=4 856 B7R0.6 CC(=O)CNC(=O)N 1458a_100000184981_200000210301 [0,2,0,0,0,0|2,0,0]=4 857 B7R0.6 CC(=O)COC(=O)C 1458a_100000183556_200000210301 [0,2,0,0,0,0|0,0,1]=3 858 B7R0.6 CC(=O)COC(C)C 1458a_100000745533_200000210301 [0,2,0,0,0,0|0,0,2]=4 859 B7R0.6 CC(=O)COC(C)C 34a_100000211253_100000210206 [0,2,0,0,0,0|0,0,2]=4 860 B7R0.6 CC(=O)COC(F)F 1458a_200000719455_200000210301 [0,2,0,0,0,0|1,0,1]=4 861 B7R0.6 CC(=O)CSC(=O)C 1458a_100000049016_200000210301 [0,2,0,0,0,0|0,1,1]=4 862 B7R0.6 CC(=O)NCC(=O)N 11a_100000711301_100015343762 [0,2,0,0,0,0|1,0,1]=4 863 B7R0.6 CC(=O)NCC(=O)N 240690a_100000711301_100015343762 [0,2,0,0,0,0|1,0,1]=4 864 B7R0.6 CC(=O)NCC(=O)N 527a_100000711301_100103153847 [0,2,0,0,0,0|1,0,1]=4 865 B7R0.6 CC(=O)NCC(=O)[13CH3] 1458a_100000194580_200025704644 [0,2,0,0,0,0|1,0,1]=4 866 B7R0.6 CC(=O)NNC(=O)C 22a_100000189765_100000070787 [0,2,0,0,0,0|1,0,1]=4 867 B7R0.6 CC(=O)OCC(=O)[13CH3] 1458a_100000183556_200025704644 [0,2,0,0,0,0|0,0,1]=3 868 B7R0.6 CC(=O)OCN(C)C 269982a_100102631434_100000076356 [0,2,0,0,0,0|0,0,2]=4 869 B7R0.6 CC(=O)SCC(=O)[13CH3] 1458a_100000049016_200025704644 [0,2,0,0,0,0|0,1,1]=4 870 B7R0.6 CC(C)C=CC(=O)[13CH3] 1458a_100016268746_200025704644 [0,2,0,0,0,0|1,0,1]=4 871 B7R0.6 CC(C)OCC(=O)[13CH3] 1458a_100000745533_200025704644 [0,2,0,0,0,0|0,0,2]=4 872 B7R0.6 [13CH3]C(=O)CCC(=O)N 1458a_100011215257_200025704644 [0,2,0,0,0,0|1,0,1]=4 873 B7R0.6 [13CH3]C(=O)CNC(=O)N 1458a_100000184981_200025704644 [0,2,0,0,0,0|2,0,0]=4 874 B7R0.6 [13CH3]C(=O)COC(F)F 1458a_200000719455_200025704644 [0,2,0,0,0,0|1,0,1]=4 875 B7R0.8 C=CCNS(=O)(=O)C 40a_100020586998_100000738038 [0,2,0,0,0,0|2,0,0]=4 876 B7R0.8 C=CCOC(C)(C)C 34a_100015890283_100015514636 [0,2,0,0,0,0|1,0,1]=4 877 B7R0.8 C=CCOC(C)(C)C 34a_200000210373_100000210625 [0,2,0,0,0,0|1,0,1]=4 878 B7R0.8 C=CCOC(C)(C)C 7a_100015890283_100015514636 [0,2,0,0,0,0|1,0,1]=4 879 B7R1.1 C=Cc1ccco1 271570a_100011290941_100009814098 [0,1,0,1,0,0|1,0,1]=4 880 B7R1.1 C=Cc1ncco1 271570a_100011290941_100011787736 [0,1,0,1,0,0|1,0,1]=4 881 B7R1.1 CSc1ccco1 62a_100009814098_200000210301 [0,1,0,1,0,0|1,0,0]=3 882 B7R1.1 CSc1ccco1 62a_200000210301_100009814098 [0,1,0,1,0,0|1,0,0]=3 883 B7R1.1 CSc1cccs1 62a_100011215356_200000210301 [0,1,0,1,0,0|1,1,0]=4 884 B7R1.1 CSc1cccs1 62a_200000210301_100011215356 [0,1,0,1,0,0|1,1,0]=4 885 B7R1.1 CSc1cnco1 62a_100020591547_200000210301 [0,1,0,1,0,0|2,0,0]=4 886 B7R1.1 CSc1cnco1 62a_200000210301_100020591547 [0,1,0,1,0,0|2,0,0]=4 887 B7R1.1 CSc1ncc[nH]1 62a_100025796157_200000210301 [0,1,0,1,0,0|2,0,0]=4 888 B7R1.1 CSc1ncc[nH]1 62a_200000210301_100025796157 [0,1,0,1,0,0|2,0,0]=4 889 B7R1.1 CSc1ncco1 62a_100011787736_200000210301 [0,1,0,1,0,0|1,0,0]=3 890 B7R1.1 CSc1ncco1 62a_200000210301_100011787736 [0,1,0,1,0,0|1,0,0]=3 891 B7R1.1 CSc1nccs1 62a_100000211983_200000210301 [0,1,0,1,0,0|1,1,0]=4 892 B7R1.1 CSc1nccs1 62a_200000210301_100000211983 [0,1,0,1,0,0|1,1,0]=4 893 B7R1.1 [13CH3]Sc1ccco1 62a_100009814098_200025704644 [0,1,0,1,0,0|1,0,0]=3 894 B7R1.1 [13CH3]Sc1ccco1 62a_200025704644_100009814098 [0,1,0,1,0,0|1,0,0]=3 895 B7R1.1 [13CH3]Sc1cccs1 62a_100011215356_200025704644 [0,1,0,1,0,0|1,1,0]=4 896 B7R1.1 [13CH3]Sc1cccs1 62a_200025704644_100011215356 [0,1,0,1,0,0|1,1,0]=4 897 B7R1.1 [13CH3]Sc1cnco1 62a_100020591547_200025704644 [0,1,0,1,0,0|2,0,0]=4 898 B7R1.1 [13CH3]Sc1cnco1 62a_200025704644_100020591547 [0,1,0,1,0,0|2,0,0]=4 899 B7R1.1 [13CH3]Sc1ncc[nH]1 62a_100025796157_200025704644 [0,1,0,1,0,0|2,0,0]=4 900 B7R1.1 [13CH3]Sc1ncc[nH]1 62a_200025704644_100025796157 [0,1,0,1,0,0|2,0,0]=4 901 B7R1.1 [13CH3]Sc1ncco1 62a_100011787736_200025704644 [0,1,0,1,0,0|1,0,0]=3 902 B7R1.1 [13CH3]Sc1ncco1 62a_200025704644_100011787736 [0,1,0,1,0,0|1,0,0]=3 903 B7R1.1 [13CH3]Sc1nccs1 62a_100000211983_200025704644 [0,1,0,1,0,0|1,1,0]=4 904 B7R1.1 [13CH3]Sc1nccs1 62a_200025704644_100000211983 [0,1,0,1,0,0|1,1,0]=4 905 B7R1.2 Cc1cc(cs1)O 271570a_203496583355_100000759034 [0,1,0,1,0,0|1,1,0]=4 906 B7R1.2 Cc1ccc(s1)O 271570a_203496583355_100000761539 [0,1,0,1,0,0|1,1,0]=4 907 B7R1.2 Cc1nc(c[nH]1)O 271570a_203496583355_100009814057 [0,1,0,1,0,0|2,0,0]=4 908 B7R1.2 Cc1nc(cs1)O 271570a_203496583355_100011934587 [0,1,0,1,0,0|1,1,0]=4 909 B7R1.2 Cc1nc(no1)O 271570a_203496583355_100012003639 [0,1,0,1,0,0|2,0,0]=4 910 B7R1.2 Cc1ncc(s1)O 271570a_203496583355_100000764884 [0,1,0,1,0,0|1,1,0]=4 911 B7R1.2 Cc1nnc(o1)O 271570a_203496583355_100000708914 [0,1,0,1,0,0|2,0,0]=4 912 B7R1.2 Cc1noc(n1)C 270196a_100000212224_100000070787 [0,1,0,1,0,0|1,0,1]=4 913 B7R1.2 Cc1noc(n1)O 270196a_100000212224_100015183105 [0,1,0,1,0,0|2,0,0]=4 914 B7R1.4 Cc1ccsc1O 271570a_203496583355_100000742657 [0,1,0,1,0,0|0,1,1]=4 915 B7R1.4 Cc1oncc1O 271570a_203496583355_100009872056 [0,1,0,1,0,0|1,0,1]=4 916 B7R1.4 Cc1sccc1O 271570a_203496583355_100000684487 [0,1,0,1,0,0|0,1,1]=4 917 B7R1.4 Cn1ccnc1O 271570a_203496583355_100000707724 [0,1,0,1,0,0|1,0,1]=4 918 B7R1.18 CC(=O)C1CCO1 1458a_100000089072_200000210301 [0,1,0,1,0,0|0,0,2]=4 919 B7R1.18 [13CH3]C(=O)C1CCO1 1458a_100000089072_200025704644 [0,1,0,1,0,0|0,0,2]=4 920 B7R1.7 C=CCOC1CC1 34a_200000210373_100000211595 [0,1,0,1,0,0|1,0,1]=4