0 B9R1.37 Cc1nn(c(c1O)C)C 271570a_203496583355_100000239273 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.18 Cc1cc(c(s1)C)O 271570a_203496583355_100000688054 [1,0,0,0,0,0|0,1,1]=3 2 B8R1.18 Cc1cc(c(s1)O)C 271570a_203496583355_100000689295 [1,0,0,0,0,0|2,0,1]=4 3 B8R1.18 Cc1cc(n(n1)C)O 271570a_203496583355_100009818511 [1,0,0,0,0,0|2,0,1]=4 4 B8R1.18 Cc1cn(nc1O)C 271570a_203496583355_100012644376 [1,0,0,0,0,0|3,0,0]=4 5 B8R1.18 Cc1nc(c(s1)C)O 271570a_203496583355_100010270876 [1,0,0,0,0,0|1,1,1]=4 6 B8R1.18 Cc1nc(c(s1)O)C 271570a_203496583355_100009814099 [1,0,0,0,0,0|2,0,1]=4 7 B8R1.18 Cc1nn(cc1O)C 271570a_203496583355_100011996311 [1,0,0,0,0,0|2,0,0]=3 8 B8R1.18 Cc1nn(nc1O)C 271570a_203496583355_200009884731 [1,0,0,0,0,0|3,0,0]=4 9 B8R1.18 Cn1cc(c(n1)N)O 271570a_203496583355_100010776223 [1,0,0,0,0,0|3,0,0]=4 10 B8R1.50 Cc1[nH][nH]c(=O)c1O 271570a_203496583355_100000686169 [1,0,0,0,0,0|2,0,0]=3 11 B8R1.50 Cc1c(cnn1C)O 271570a_203496583355_100000722751 [1,0,0,0,0,0|3,0,0]=4 12 B8R1.50 Cc1n[nH]c(c1O)C 271570a_203496583355_100000238710 [1,0,0,0,0,0|3,0,0]=4 13 B8R1.50 Cc1n[nH]c(c1O)N 271570a_203496583355_100000182022 [1,0,0,0,0,0|3,0,0]=4 14 B8R1.50 Cc1noc(c1O)C 271570a_203496583355_100000694658 [1,0,0,0,0,0|2,0,0]=3 15 B8R1.50 Cc1noc(c1O)N 271570a_203496583355_100000754107 [1,0,0,0,0,0|3,0,0]=4 16 B8R1.50 Cc1nsc(c1O)N 271570a_203496583355_100000701153 [1,0,0,0,0,0|3,0,0]=4 17 B8R1.50 Cc1onc(c1O)N 271570a_203496583355_100011216220 [1,0,0,0,0,0|2,0,0]=3 18 B8R1.50 Cc1onc(c1O)O 271570a_203496583355_100010730664 [1,0,0,0,0,0|1,0,1]=3 19 B8R1.50 Cc1scc(c1C)O 271570a_203496583355_100009820295 [1,0,0,0,0,0|1,1,1]=4 20 B8R1.50 Cn1ncc(c1F)O 271570a_203496583355_200011161937 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.34 CCn1nc(c(c1C)O)C 271570a_203496583355_100000755104 [0,1,0,0,0,0|3,0,0]=4 22 B10R1.34 Cc1nn(c(c1O)C)CO 271570a_203496583355_100009992181 [0,1,0,0,0,0|3,0,0]=4 23 B10R1.256 COc1c(nn(c1C)C)C 34a_100000760000_200000210301 [0,1,0,0,0,0|3,0,0]=4 24 B10R1.256 COc1c(nn(c1C)C)C 7a_100000760000_200000210301 [0,1,0,0,0,0|3,0,0]=4 25 B10R1.256 Cc1nn(c(c1O)C#N)C 271570a_203496583355_100028628391 [0,1,0,0,0,0|3,0,0]=4 26 B10R1.256 Cc1nn(c(c1O[13CH3])C)C 34a_100000760000_200025704644 [0,1,0,0,0,0|3,0,0]=4 27 B10R1.256 Cc1nn(c(c1O[13CH3])C)C 7a_100000760000_200025704644 [0,1,0,0,0,0|3,0,0]=4 28 B8R0.2 C/C=C(\C)/C(=O)C(C)C 1458a_100020587367_100000210206 [0,0,1,0,0,0|2,0,0]=3 29 B8R0.2 C/C=C(\C)/C(=O)N(C)C 11a_100102631434_100020587367 [0,0,1,0,0,0|3,0,0]=4 30 B8R0.2 C/C=C(\C)/C(=O)N(C)C 1626a_100102631434_100020587367 [0,0,1,0,0,0|3,0,0]=4 31 B8R0.2 CCC(=O)C(=O)N(C)C 1458a_100011218876_100000210202 [0,0,1,0,0,0|2,0,1]=4 32 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000070787_100000742827 [0,0,1,0,0,0|1,0,2]=4 33 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000210414_100000179758 [0,0,1,0,0,0|1,0,2]=4 34 B8R0.2 CCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210202 [0,0,1,0,0,0|1,0,2]=4 35 B8R0.2 CCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000758301 [0,0,1,0,0,0|1,0,2]=4 36 B8R0.2 CCC(C)C(=O)[C@H](C)O 1458a_217856618621_100000758301 [0,0,1,0,0,0|1,0,2]=4 37 B8R0.2 CCC(O)C(=O)C(C)C 1458a_100011196387_100000210206 [0,0,1,0,0,0|1,0,2]=4 38 B8R0.2 CCN(C)C(=O)[C@@H](C)O 240690a_100000225621_100000717761 [0,0,1,0,0,0|2,0,1]=4 39 B8R0.2 CCN(C)C(=O)[C@H](C)O 1626a_100000225621_217856618621 [0,0,1,0,0,0|2,0,1]=4 40 B8R0.2 CCN(C)C(=O)[C@H](C)O 240690a_100000225621_217856618621 [0,0,1,0,0,0|2,0,1]=4 41 B8R0.2 CNC(=O)C(=O)C(C)C 1458a_100011218921_100000210206 [0,0,1,0,0,0|2,0,1]=4 42 B8R0.3 C=CC(=O)C(C)CCC 1458a_100000185746_100000766640 [0,0,1,0,0,0|2,0,1]=4 43 B8R0.3 C=CC(=O)C(C)COC 1458a_100000185746_100000765312 [0,0,1,0,0,0|3,0,0]=4 44 B8R0.3 CCCC(C)C(=O)CO 1458a_100000210174_100000766640 [0,0,1,0,0,0|1,0,2]=4 45 B8R0.3 CCOC(C)C(=O)CC 1458a_100000739345_100000210202 [0,0,1,0,0,0|1,0,2]=4 46 B8R0.3 CCOC(C)C(=O)CF 1458a_100000739345_100015361967 [0,0,1,0,0,0|1,0,2]=4 47 B8R0.3 CCOC(C)C(=O)NC 11a_106832991635_100000739345 [0,0,1,0,0,0|2,0,1]=4 48 B8R0.3 CCOC(C)C(=O)NC 1626a_100102657272_100000739345 [0,0,1,0,0,0|2,0,1]=4 49 B8R0.3 CCOC(C)C(=O)NC 240690a_100102657272_100000739345 [0,0,1,0,0,0|2,0,1]=4 50 B8R0.3 CCOC(C)C(=O)NC 34a_100121572206_100000731044 [0,0,1,0,0,0|2,0,1]=4 51 B8R0.3 CCOC(C)C(=O)NC 527a_100102657272_100000739345 [0,0,1,0,0,0|2,0,1]=4 52 B8R0.3 CCOC(C)C(=O)NN 34a_100000725659_100000210202 [0,0,1,0,0,0|2,0,1]=4 53 B8R0.3 CCOC(C)C(=O)OC 34a_100011215400_100000210202 [0,0,1,0,0,0|2,0,1]=4 54 B8R0.3 CCOC(C)C(=O)OC 34a_100121572206_100000211248 [0,0,1,0,0,0|2,0,1]=4 55 B8R0.3 COCC(C)C(=O)CO 1458a_100000210174_100000765312 [0,0,1,0,0,0|2,0,1]=4 56 B8R0.19 C=CC(C)OC(C)CO 34a_100000695699_100012180447 [0,0,1,0,0,0|1,0,2]=4 57 B10R1.22 Cc1cc(c(=O)n(c1)C)O 271570a_203496583355_100011068373 [0,0,0,0,0,1|2,0,0]=3 58 B10R1.22 Cc1cc(c(c(c1)Br)O)C 271570a_203496583355_200012353697 [0,0,0,0,0,1|2,0,1]=4 59 B10R1.22 Cc1cc(c(c(c1)C)O)C 271570a_203496583355_100011204320 [0,0,0,0,0,1|2,0,1]=4 60 B10R1.22 Cc1cc(c(c(c1)O)F)C 271570a_203496583355_200010204574 [0,0,0,0,0,1|2,0,1]=4 61 B10R1.22 Cc1cc(c(c(c1)O)N)C 271570a_203496583355_100000688863 [0,0,0,0,0,1|2,0,1]=4 62 B10R1.22 Cc1cc(c(c(c1)O)O)C 271570a_203496583355_100010342985 [0,0,0,0,0,1|1,0,2]=4 63 B10R1.22 Cc1cc(c(c(c1)O)O)C 271570a_203496583355_100011934984 [0,0,0,0,0,1|1,0,2]=4 64 B10R1.22 Cc1cc(c(c(n1)C)O)N 271570a_203496583355_100010261885 [0,0,0,0,0,1|2,0,1]=4 65 B10R1.22 Cc1cc(c(c(n1)O)N)C 271570a_203496583355_100009816701 [0,0,0,0,0,1|2,0,1]=4 66 B10R1.22 Cc1nc([nH]c(=O)c1O)O 271570a_203496583355_100000187651 [0,0,0,0,0,1|2,0,1]=4 67 B10R1.22 Cc1nc(c(c(n1)Cl)O)C 271570a_203496583355_200011356833 [0,0,0,0,0,1|2,0,1]=4 68 B10R1.118 Cc1cc(c(cc1C)O)C 271570a_203496583355_100000759388 [0,0,0,0,0,1|2,0,1]=4 69 B10R1.118 Cc1cc(c(cc1N)O)C 271570a_203496583355_100000703630 [0,0,0,0,0,1|2,0,1]=4 70 B10R1.119 Cn1ncc(c(c1=O)O)N 271570a_203496583355_100012360461 [0,0,0,0,0,1|3,0,0]=4 71 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [1,0,1,0,0,0|1,0,1]=4 72 B7R0.2 CC(=CC(=O)CF)C 1458a_100000211388_100015361967 [1,0,1,0,0,0|2,0,0]=4 73 B7R0.2 CC(=CC(=O)CF)Cl 1458a_200042562850_100015361967 [1,0,1,0,0,0|2,0,0]=4 74 B7R0.2 CC(=CC(=O)CF)I 1458a_100025716642_100015361967 [1,0,1,0,0,0|2,0,0]=4 75 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [1,0,1,0,0,0|1,0,1]=4 76 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [1,0,1,0,0,0|1,0,1]=4 77 B7R0.2 CCC(=O)C=C(C)C 1458a_100000211388_100000210202 [1,0,1,0,0,0|1,0,0]=3 78 B7R0.2 CCC(=O)C=C(C)Cl 1458a_200042562850_100000210202 [1,0,1,0,0,0|1,0,0]=3 79 B7R0.2 CCC(=O)C=C(C)I 1458a_100025716642_100000210202 [1,0,1,0,0,0|1,0,0]=3 80 B7R0.2 CCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210202 [1,0,1,0,0,0|2,0,0]=4 81 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [1,0,1,0,0,0|0,0,2]=4 82 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [1,0,1,0,0,0|0,0,2]=4 83 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [1,0,1,0,0,0|0,0,2]=4 84 B7R0.2 CNC(=O)C=C(C)C 11a_106832991635_100000211388 [1,0,1,0,0,0|2,0,0]=4 85 B7R0.2 CNC(=O)C=C(C)C 1626a_100102657272_100000211388 [1,0,1,0,0,0|2,0,0]=4 86 B7R0.2 CNC(=O)C=C(C)C 240690a_100102657272_100000211388 [1,0,1,0,0,0|2,0,0]=4 87 B7R0.2 CNC(=O)C=C(C)Cl 11a_106832991635_200042562850 [1,0,1,0,0,0|2,0,0]=4 88 B7R0.2 CNC(=O)C=C(C)Cl 1626a_100102657272_200042562850 [1,0,1,0,0,0|2,0,0]=4 89 B7R0.2 CNC(=O)C=C(C)Cl 240690a_100102657272_200042562850 [1,0,1,0,0,0|2,0,0]=4 90 B7R0.2 CNC(=O)C=C(C)I 11a_106832991635_100025716642 [1,0,1,0,0,0|2,0,0]=4 91 B7R0.2 CNC(=O)C=C(C)I 1626a_100102657272_100025716642 [1,0,1,0,0,0|2,0,0]=4 92 B7R0.5 C=CCC(=O)[C@@H](C)O 1458a_100000717761_100000210623 [1,0,1,0,0,0|0,0,2]=4 93 B7R0.5 C=CCC(=O)[C@H](C)O 1458a_217856618621_100000210623 [1,0,1,0,0,0|0,0,2]=4 94 B7R0.5 CC(C)C(=O)C=CBr 1458a_100016273825_100000210206 [1,0,1,0,0,0|2,0,0]=4 95 B7R0.5 CC(C)C(=O)C=CCl 1458a_200016279998_100000210206 [1,0,1,0,0,0|2,0,0]=4 96 B7R0.5 CC(C)C(=O)C=CI 1458a_100016256311_100000210206 [1,0,1,0,0,0|2,0,0]=4 97 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [1,0,1,0,0,0|2,0,0]=4 98 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [1,0,1,0,0,0|1,0,1]=4 99 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [1,0,1,0,0,0|1,0,1]=4 100 B7R0.5 CC=CC(=O)C(C)C 1458a_100000210699_100000210206 [1,0,1,0,0,0|1,0,0]=3 101 B7R0.5 CC=CC(=O)N(C)C 11a_100102631434_100000210699 [1,0,1,0,0,0|2,0,0]=4 102 B7R0.5 CC=CC(=O)N(C)C 1626a_100102631434_100000210699 [1,0,1,0,0,0|2,0,0]=4 103 B7R0.5 CC=CC(=O)N(C)C 240690a_100102631434_100000210699 [1,0,1,0,0,0|2,0,0]=4 104 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [1,0,1,0,0,0|0,0,2]=4 105 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [1,0,1,0,0,0|0,0,2]=4 106 B7R0.5 CCNC(=O)[C@@H](C)O 240690a_100015525214_100000717761 [1,0,1,0,0,0|1,0,1]=4 107 B7R0.5 CCNC(=O)[C@H](C)O 240690a_100015525214_217856618621 [1,0,1,0,0,0|1,0,1]=4 108 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [1,0,1,0,0,0|1,0,1]=4 109 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [1,0,1,0,0,0|0,0,2]=4 110 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [1,0,1,0,0,0|0,0,2]=4 111 B7R0.5 CCOC(C)C(=O)N 34a_100121572206_100000702099 [1,0,1,0,0,0|1,0,1]=4 112 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [1,0,1,0,0,0|0,0,2]=4 113 B7R0.5 CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210202 [1,0,1,0,0,0|0,0,2]=4 114 B7R0.5 CCO[C@H](C)C(=O)N 34a_100000731257_100000210202 [1,0,1,0,0,0|1,0,1]=4 115 B7R0.5 CCO[C@H](C)C(=O)N 7a_100000731257_100000210202 [1,0,1,0,0,0|1,0,1]=4 116 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [1,0,1,0,0,0|2,0,0]=4 117 B7R0.5 CNNC(=O)[C@@H](C)O 22a_100016993582_100000717761 [1,0,1,0,0,0|2,0,0]=4 118 B7R0.5 CNNC(=O)[C@H](C)O 22a_100016993582_217856618621 [1,0,1,0,0,0|2,0,0]=4 119 B7R0.10 C/C=C(\C)/C(=O)CC 1458a_100020587367_100000210202 [1,0,1,0,0,0|1,0,0]=3 120 B7R0.10 C/C=C(\C)/C(=O)CF 1458a_100020587367_100015361967 [1,0,1,0,0,0|2,0,0]=4 121 B7R0.10 C/C=C(\C)/C(=O)NC 11a_106832991635_100020587367 [1,0,1,0,0,0|2,0,0]=4 122 B7R0.10 C/C=C(\C)/C(=O)NC 1626a_100102657272_100020587367 [1,0,1,0,0,0|2,0,0]=4 123 B7R0.10 C=CC(=O)C(C)CC 1458a_100000185746_100000758301 [1,0,1,0,0,0|1,0,1]=4 124 B7R0.10 CC(O[13CH3])C(=O)NN 34a_100000725659_200025704644 [1,0,1,0,0,0|2,0,0]=4 125 B7R0.10 CCC(=O)C(=O)NC 1458a_100011218921_100000210202 [1,0,1,0,0,0|1,0,1]=4 126 B7R0.10 CCC(=O)C(C)OC 1458a_100000743197_100000210202 [1,0,1,0,0,0|1,0,1]=4 127 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [1,0,1,0,0,0|0,0,2]=4 128 B7R0.10 CCC(=O)C(O)CO 1458a_100011215603_100000210202 [1,0,1,0,0,0|0,0,2]=4 129 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [1,0,1,0,0,0|0,0,2]=4 130 B7R0.10 CNC(=O)C(C)OC 11a_106832991635_100000743197 [1,0,1,0,0,0|2,0,0]=4 131 B7R0.10 CNC(=O)C(C)OC 1626a_100102657272_100000743197 [1,0,1,0,0,0|2,0,0]=4 132 B7R0.10 CNC(=O)C(C)OC 240690a_100102657272_100000743197 [1,0,1,0,0,0|2,0,0]=4 133 B7R0.10 CNC(=O)C(C)OC 34a_100138415774_100000731044 [1,0,1,0,0,0|2,0,0]=4 134 B7R0.10 CNC(=O)C(C)OC 527a_100102657272_100000743197 [1,0,1,0,0,0|2,0,0]=4 135 B7R0.10 COC(=O)C(C)OC 34a_100011215400_200000210301 [1,0,1,0,0,0|2,0,0]=4 136 B7R0.10 COC(=O)C(C)OC 34a_100138415774_100000211248 [1,0,1,0,0,0|2,0,0]=4 137 B7R0.10 COC(=O)C(C)O[13CH3] 34a_100011215400_200025704644 [1,0,1,0,0,0|2,0,0]=4 138 B7R0.10 COC(C)C(=O)CF 1458a_100000743197_100015361967 [1,0,1,0,0,0|1,0,1]=4 139 B7R0.10 COC(C)C(=O)NN 34a_100000725659_200000210301 [1,0,1,0,0,0|2,0,0]=4 140 B7R0.16 C=C(C)C(=O)C(C)C 1458a_100000185857_100000210206 [1,0,1,0,0,0|2,0,0]=4 141 B7R0.16 CC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000210206 [1,0,1,0,0,0|1,0,1]=4 142 B7R0.16 CC(C)C(=O)[C@H](C)O 1458a_217856618621_100000210206 [1,0,1,0,0,0|1,0,1]=4 143 B7R0.16 C[C@@H](O)C(=O)N(C)C 240690a_100102631434_100000717761 [1,0,1,0,0,0|2,0,0]=4 144 B7R0.16 C[C@H](O)C(=O)N(C)C 1626a_100102631434_217856618621 [1,0,1,0,0,0|2,0,0]=4 145 B7R0.16 C[C@H](O)C(=O)N(C)C 240690a_100102631434_217856618621 [1,0,1,0,0,0|2,0,0]=4 146 B7R0.3 C/C=C/CC(=O)CO 1458a_100000210174_100102629194 [1,0,1,0,0,0|1,0,1]=4 147 B7R0.3 C=CC(=O)C/C=C/C 1458a_100000185746_100102629194 [1,0,1,0,0,0|2,0,0]=4 148 B7R0.3 C=CC(=O)CC=CC 1458a_100000185746_100000070051 [1,0,1,0,0,0|2,0,0]=4 149 B7R0.3 C=CC(C)OCC=O 34a_100000695699_200009817547 [1,0,1,0,0,0|1,0,1]=4 150 B7R0.3 CC=CCC(=O)CO 1458a_100000210174_100000070051 [1,0,1,0,0,0|1,0,1]=4 151 B7R0.7 C/C=C/C(C)OCC 34a_200102604097_100000210202 [1,0,1,0,0,0|1,0,1]=4 152 B7R1.2 Cc1cc(cs1)O 271570a_203496583355_100000759034 [2,0,0,0,0,0|0,1,1]=4 153 B7R1.2 Cn1cc(cn1)O 271570a_203496583355_100000748075 [2,0,0,0,0,0|2,0,0]=4 154 B7R1.4 Cc1cscc1O 271570a_203496583355_100000759966 [2,0,0,0,0,0|2,0,0]=4 155 B7R1.4 Cc1n[nH]cc1O 271570a_203496583355_100011912673 [2,0,0,0,0,0|2,0,0]=4 156 B7R1.4 Cc1oncc1O 271570a_203496583355_100009872056 [2,0,0,0,0,0|1,0,0]=3 157 B7R1.4 Cc1sccc1O 271570a_203496583355_100000684487 [2,0,0,0,0,0|0,1,1]=4 158 B7R1.4 Nc1nocc1O 271570a_203496583355_100012597345 [2,0,0,0,0,0|2,0,0]=4 159 B9R0.6 CC/C=C(\C)/C(=O)C(C)C 1458a_100016988807_100000210206 [0,1,1,0,0,0|2,0,0]=4 160 B9R0.27 C#CC(C)C(=O)/C(=C/C)/C 1458a_100020587367_200000035995 [0,1,1,0,0,0|2,0,0]=4 161 B9R0.27 C/C=C(\C)/C(=O)C(C)C#N 1458a_100020587367_100000703298 [0,1,1,0,0,0|2,0,0]=4 162 B9R0.27 C/C=C(\C)/C(=O)C(C)CC 1458a_100020587367_100000758301 [0,1,1,0,0,0|2,0,0]=4 163 B9R0.27 CCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000210202 [0,1,1,0,0,0|0,0,2]=4 164 B9R0.27 COC(=O)C(=O)C(C)OC 34a_100138415774_100000692041 [0,1,1,0,0,0|1,0,1]=4 165 B9R0.29 CCC(=O)C(=C(C)C)C#N 1458a_100000137542_100000210202 [0,1,1,0,0,0|2,0,0]=4 166 B9R0.79 CC(=O)C(C)C(=O)[C@@H](C)O 1458a_100000717761_100000179758 [0,1,1,0,0,0|1,0,1]=4 167 B9R0.79 CC(=O)C(C)C(=O)[C@H](C)O 1458a_217856618621_100000179758 [0,1,1,0,0,0|1,0,1]=4 168 B9R0.23 C#CC(=O)C(C)OC(=O)C 1458a_100000211873_100009818208 [0,1,1,0,0,0|1,0,1]=4 169 B9R0.23 C=CC(=O)C(C)OC(=O)C 1458a_100000185746_100009818208 [0,1,1,0,0,0|1,0,0]=3 170 B9R0.23 CC(=O)OC(C)C(=O)CO 1458a_100000210174_100009818208 [0,1,1,0,0,0|0,0,1]=3 171 B9R0.23 CC(=O)O[C@@H](C)C(=O)CF 1458a_100009816467_100015361967 [0,1,1,0,0,0|1,0,1]=4 172 B9R0.23 CCC(=O)C(C)OC(=O)C 1458a_100000210414_100009818208 [0,1,1,0,0,0|1,0,1]=4 173 B9R0.23 CCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000210202 [0,1,1,0,0,0|1,0,1]=4 174 B9R0.23 CNC(=O)[C@H](C)OC(=O)C 11a_106832991635_100009816467 [0,1,1,0,0,0|2,0,0]=4 175 B9R0.23 CNC(=O)[C@H](C)OC(=O)C 1626a_100102657272_100009816467 [0,1,1,0,0,0|2,0,0]=4 176 B9R0.23 CNC(=O)[C@H](C)OC(=O)C 240690a_100102657272_100009816467 [0,1,1,0,0,0|2,0,0]=4 177 B9R0.23 CNC(=O)[C@H](C)OC(=O)C 527a_100102657272_100009816467 [0,1,1,0,0,0|2,0,0]=4 178 B9R0.35 C=CCC(=O)C(C)OCC 1458a_100000739345_100000210623 [0,1,1,0,0,0|1,0,1]=4 179 B9R0.35 CCOC(C)C(=O)CCO 1458a_100000739345_100000211926 [0,1,1,0,0,0|0,0,2]=4 180 B9R0.42 C=CC(C)OC(C)C(=O)N 34a_100000695699_100000702099 [0,1,1,0,0,0|1,0,1]=4 181 B9R0.42 CC(=O)C(C)OC(C)CO 34a_100000212229_100012180447 [0,1,1,0,0,0|0,0,2]=4 182 B9R0.42 CC(CO)O[C@@H](C)C(=O)[O-] 7a_217856618621_100012180447 [0,1,1,0,0,0|0,0,2]=4 183 B9R0.42 CC(CO)O[C@H](C)C(=O)N 34a_100000731257_100012180447 [0,1,1,0,0,0|0,0,2]=4 184 B9R0.42 CC(CO)O[C@H](C)C(=O)N 7a_100000731257_100012180447 [0,1,1,0,0,0|0,0,2]=4 185 B9R1.22 CCc1nn(cc1O)C 271570a_203496583355_100012396458 [1,1,0,0,0,0|2,0,0]=4 186 B9R1.22 COc1nn(cc1O)C 271570a_203496583355_100015475556 [1,1,0,0,0,0|2,0,0]=4 187 B9R1.22 Cn1cc(c(n1)CO)O 271570a_203496583355_100009816719 [1,1,0,0,0,0|2,0,0]=4 188 B9R1.23 CC1=CC(OC1=O)S[13CH3] 62a_200009893386_200025704644 [1,1,0,0,0,0|2,0,0]=4 189 B9R1.23 CC1=CC(OC1=O)S[13CH3] 62a_200025704644_200009893386 [1,1,0,0,0,0|2,0,0]=4 190 B9R1.23 CNC1C=C(C(=O)O1)C 2230a_106832991635_200009893386 [1,1,0,0,0,0|2,0,0]=4 191 B9R1.23 CSC1C=C(C(=O)O1)C 62a_200000210301_200009893386 [1,1,0,0,0,0|2,0,0]=4 192 B9R1.23 CSC1C=C(C(=O)O1)C 62a_200009893386_200000210301 [1,1,0,0,0,0|2,0,0]=4 193 B9R1.23 Cc1sc(cc1O)CO 271570a_203496583355_100013897464 [1,1,0,0,0,0|0,1,1]=4 194 B9R1.27 COC1C(=O)COC1=O 34a_100138415774_100000032967 [1,1,0,0,0,0|1,0,1]=4 195 B9R1.27 Cn1ncc(c1C=O)O 271570a_203496583355_100000763672 [1,1,0,0,0,0|2,0,0]=4 196 B9R1.28 COC1C(=O)C(=O)C1=O 7a_100010658403_200000210301 [0,1,0,0,1,0|1,0,1]=4 197 B9R1.28 [13CH3]OC1C(=O)C(=O)C1=O 7a_100010658403_200025704644 [0,1,0,0,1,0|1,0,1]=4 198 B11R1.278 COc1cnn(c(=O)c1O)C 271570a_203496583355_100000034270 [0,1,0,0,0,1|2,0,0]=4 199 B9R1.34 Cc1cc(cc(c1)O)C 271570a_203496583355_100011215608 [1,0,0,0,0,1|1,0,1]=4 200 B9R1.34 Cc1cc(cc(n1)C)O 271570a_203496583355_100009816552 [1,0,0,0,0,1|1,0,1]=4 201 B9R1.34 Cc1cc(nc(c1)O)C 271570a_203496583355_100000069240 [1,0,0,0,0,1|1,0,1]=4 202 B9R1.34 Cc1cc(nc(n1)C)O 271570a_203496583355_100000736142 [1,0,0,0,0,1|1,0,1]=4