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|1,1,1]=4 2 B8R1.18 Cc1cc(nn1C)O 271570a_203496583355_100012001299 [1,0,0,0,0,0|2,0,1]=4 3 B8R1.18 Cc1cc(sc1C)O 271570a_203496583355_100009850898 [1,0,0,0,0,0|0,1,2]=4 4 B8R1.18 Cc1nn(cc1O)C 271570a_203496583355_100011996311 [1,0,0,0,0,0|3,0,0]=4 5 B8R1.18 Cn1cc(c(n1)N)O 271570a_203496583355_100010776223 [1,0,0,0,0,0|3,0,0]=4 6 B8R1.50 Cc1[nH][nH]c(=O)c1O 271570a_203496583355_100000686169 [1,0,0,0,0,0|2,0,0]=3 7 B8R1.50 Cc1[nH]nc(c1C)O 271570a_203496583355_100015309786 [1,0,0,0,0,0|2,0,1]=4 8 B8R1.50 Cc1c(cnn1C)O 271570a_203496583355_100000722751 [1,0,0,0,0,0|2,0,0]=3 9 B8R1.50 Cc1n[nH]c(c1O)C 271570a_203496583355_100000238710 [1,0,0,0,0,0|3,0,0]=4 10 B8R1.50 Cc1n[nH]c(c1O)N 271570a_203496583355_100000182022 [1,0,0,0,0,0|3,0,0]=4 11 B8R1.50 Cc1ncc(n1C)O 271570a_203496583355_100000762843 [1,0,0,0,0,0|2,0,1]=4 12 B8R1.50 Cc1noc(c1O)C 271570a_203496583355_100000694658 [1,0,0,0,0,0|2,0,0]=3 13 B8R1.50 Cc1noc(c1O)N 271570a_203496583355_100000754107 [1,0,0,0,0,0|2,0,0]=3 14 B8R1.50 Cc1nsc(c1O)N 271570a_203496583355_100000701153 [1,0,0,0,0,0|2,1,0]=4 15 B8R1.50 Cc1onc(c1O)N 271570a_203496583355_100011216220 [1,0,0,0,0,0|3,0,0]=4 16 B8R1.50 Cc1onc(c1O)O 271570a_203496583355_100010730664 [1,0,0,0,0,0|2,0,1]=4 17 B8R1.50 Cc1scc(c1C)O 271570a_203496583355_100009820295 [1,0,0,0,0,0|0,1,1]=3 18 B8R1.50 Cn1ncc(c1F)O 271570a_203496583355_200011161937 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.34 CCn1nc(c(c1C)O)C 271570a_203496583355_100000755104 [0,1,0,0,0,0|3,0,0]=4 20 B10R1.34 Cc1nn(c(c1O)C)CO 271570a_203496583355_100009992181 [0,1,0,0,0,0|3,0,0]=4 21 B10R1.256 COc1c(nn(c1C)C)C 34a_100000760000_200000210301 [0,1,0,0,0,0|3,0,0]=4 22 B10R1.256 COc1c(nn(c1C)C)C 7a_100000760000_200000210301 [0,1,0,0,0,0|3,0,0]=4 23 B10R1.256 Cc1nn(c(c1O[13CH3])C)C 34a_100000760000_200025704644 [0,1,0,0,0,0|3,0,0]=4 24 B10R1.256 Cc1nn(c(c1O[13CH3])C)C 7a_100000760000_200025704644 [0,1,0,0,0,0|3,0,0]=4 25 B8R0.2 CCN(C)C(=O)C(=O)N 240690a_100000225621_100011215815 [0,0,1,0,0,0|2,0,1]=4 26 B8R0.2 CCN(C)C(C)C(=O)O 269956a_100000749554_100000210202 [0,0,1,0,0,0|2,0,1]=4 27 B8R0.3 C/C=C(\C)/C(=O)CCC 1458a_100020587367_100000210303 [0,0,1,0,0,0|2,0,0]=3 28 B8R0.3 C/C=C(\C)/C(=O)CCF 1458a_100020587367_100011217306 [0,0,1,0,0,0|3,0,0]=4 29 B8R0.3 C/C=C(\C)/C(=O)CCO 1458a_100020587367_100000211926 [0,0,1,0,0,0|3,0,0]=4 30 B8R0.3 C/C=C(\C)/C(=O)NCC 11a_100015525214_100020587367 [0,0,1,0,0,0|2,0,0]=3 31 B8R0.3 C/C=C(\C)/C(=O)NNC 22a_100016993582_100020587367 [0,0,1,0,0,0|3,0,0]=4 32 B8R0.3 CCCC(=O)C(=O)NC 1458a_100011218921_100000210303 [0,0,1,0,0,0|2,0,1]=4 33 B8R0.3 CCCC(=O)C(O)CC 1458a_100011196387_100000210303 [0,0,1,0,0,0|1,0,2]=4 34 B8R0.3 CCNC(=O)C(=O)CC 1458a_200011297158_100000210202 [0,0,1,0,0,0|1,0,2]=4 35 B8R0.3 CCNC(=O)C(=O)NC 1626a_100102657272_200011297158 [0,0,1,0,0,0|2,0,1]=4 36 B8R0.3 CCNC(=O)C(=O)NC 240690a_100015525214_100011218921 [0,0,1,0,0,0|2,0,1]=4 37 B8R0.3 CCNC(=O)C(=O)NC 240690a_100102657272_200011297158 [0,0,1,0,0,0|2,0,1]=4 38 B8R0.3 CCNC(=O)C(=O)NC 527a_100015525214_100011218921 [0,0,1,0,0,0|2,0,1]=4 39 B8R0.3 CCNC(=O)C(=O)NC 527a_100102657272_200011297158 [0,0,1,0,0,0|2,0,1]=4 40 B8R0.3 CCNC(=O)C(=O)OC 11a_100015525214_100000024059 [0,0,1,0,0,0|2,0,1]=4 41 B8R0.3 CCNC(=O)C(=O)OC 240690a_100015525214_100000024059 [0,0,1,0,0,0|2,0,1]=4 42 B8R0.3 CCNC(=O)C(=O)OC 527a_100015525214_100000024059 [0,0,1,0,0,0|2,0,1]=4 43 B8R0.3 CCNC(=O)C(O)CC 240690a_100015525214_100011196387 [0,0,1,0,0,0|1,0,2]=4 44 B8R0.3 CCOC(=O)C(=O)NC 11a_106832991635_100014798877 [0,0,1,0,0,0|1,0,1]=3 45 B8R0.3 CCOC(=O)C(=O)NC 1626a_100102657272_100014798877 [0,0,1,0,0,0|1,0,1]=3 46 B8R0.3 CCOC(=O)C(=O)NC 240690a_100102657272_100014798877 [0,0,1,0,0,0|1,0,1]=3 47 B8R0.3 CCOC(=O)C(C)NC 2230a_106832991635_100011215307 [0,0,1,0,0,0|2,0,1]=4 48 B8R0.3 CCOC(=O)C(C)NC 34a_100102657272_100011216346 [0,0,1,0,0,0|2,0,1]=4 49 B8R0.3 CCOC(=O)C(C)NC 7a_106832991635_100011216346 [0,0,1,0,0,0|2,0,1]=4 50 B8R0.3 CCOC(=O)C(C)OC 34a_100138415774_100011216346 [0,0,1,0,0,0|2,0,1]=4 51 B8R0.3 CCOC(=O)C(C)SC 62a_100011216346_200000210301 [0,0,1,0,0,0|2,0,1]=4 52 B8R0.3 CCOC(=O)C(C)SC 62a_200000210301_100011216346 [0,0,1,0,0,0|2,0,1]=4 53 B8R0.3 CCOC(=O)C(C)S[13CH3] 62a_100011216346_200025704644 [0,0,1,0,0,0|2,0,1]=4 54 B8R0.3 CCOC(=O)C(C)S[13CH3] 62a_200025704644_100011216346 [0,0,1,0,0,0|2,0,1]=4 55 B8R0.3 CCOC(=O)C(F)NC 2230a_106832991635_100000760018 [0,0,1,0,0,0|2,0,1]=4 56 B8R0.3 CCOC(=O)C(F)NC 34a_100102657272_100000760018 [0,0,1,0,0,0|2,0,1]=4 57 B8R0.3 CCOC(=O)C(F)NC 7a_106832991635_100000040065 [0,0,1,0,0,0|2,0,1]=4 58 B8R0.3 CCOC(=O)C(F)OC 34a_100138415774_100000760018 [0,0,1,0,0,0|2,0,1]=4 59 B8R0.3 CCOC(=O)C(F)SC 62a_100000760018_200000210301 [0,0,1,0,0,0|2,0,1]=4 60 B8R0.3 CCOC(=O)C(F)SC 62a_200000210301_100000760018 [0,0,1,0,0,0|2,0,1]=4 61 B8R0.3 CCOC(=O)C(F)S[13CH3] 62a_100000760018_200025704644 [0,0,1,0,0,0|2,0,1]=4 62 B8R0.3 CCOC(=O)C(F)S[13CH3] 62a_200025704644_100000760018 [0,0,1,0,0,0|2,0,1]=4 63 B8R0.3 CCOC(=O)[C@H](C)OC 7a_100000751109_200000210301 [0,0,1,0,0,0|2,0,1]=4 64 B8R0.3 CCOC(=O)[C@H](C)O[13CH3] 7a_100000751109_200025704644 [0,0,1,0,0,0|2,0,1]=4 65 B8R0.19 C=CC(=O)CC(C)CC 1458a_100000185746_100000748023 [0,0,1,0,0,0|2,0,1]=4 66 B8R0.19 C=CC(=O)C[C@@H](C)CC 1458a_100000185746_100009816398 [0,0,1,0,0,0|2,0,1]=4 67 B8R0.19 C=CC(=O)NC(C)CC 1626a_100000209981_100000185746 [0,0,1,0,0,0|2,0,1]=4 68 B8R0.19 C=CC(=O)NC(C)CC 240690a_100000209981_200121576911 [0,0,1,0,0,0|2,0,1]=4 69 B8R0.19 CCC(C)CC(=O)CO 1458a_100000210174_100000748023 [0,0,1,0,0,0|1,0,2]=4 70 B8R0.19 CCC(C)NC(=O)CO 240690a_100000209981_100000210174 [0,0,1,0,0,0|1,0,2]=4 71 B8R0.19 CCC(C)NC(=O)CO 527a_100000209981_100000210174 [0,0,1,0,0,0|1,0,2]=4 72 B8R0.19 CC[C@H](C)CC(=O)CO 1458a_100000210174_100009816398 [0,0,1,0,0,0|1,0,2]=4 73 B10R1.22 Cc1c([nH]c(=O)[nH]c1=O)O 271570a_203496583355_200009866310 [0,0,0,0,0,1|2,0,1]=4 74 B10R1.22 Cc1cc(c(c(c1)Br)O)C 271570a_203496583355_200012353697 [0,0,0,0,0,1|2,0,1]=4 75 B10R1.22 Cc1cc(c(c(c1)C)O)C 271570a_203496583355_100011204320 [0,0,0,0,0,1|2,0,1]=4 76 B10R1.22 Cc1cc(c(c(c1)O)O)C 271570a_203496583355_100010342985 [0,0,0,0,0,1|1,0,2]=4 77 B10R1.22 Cc1cc(c(c(c1)O)O)C 271570a_203496583355_100011934984 [0,0,0,0,0,1|1,0,2]=4 78 B10R1.22 Cc1cc(c(c(n1)C)O)N 271570a_203496583355_100010261885 [0,0,0,0,0,1|2,0,1]=4 79 B10R1.22 Cc1cc(cc(c1C)O)N 271570a_203496583355_100010368239 [0,0,0,0,0,1|2,0,1]=4 80 B10R1.22 Cc1cc(cc(c1C)O)O 271570a_203496583355_100010068915 [0,0,0,0,0,1|1,0,2]=4 81 B10R1.22 Cc1nc([nH]c(=O)c1O)O 271570a_203496583355_100000187651 [0,0,0,0,0,1|2,0,1]=4 82 B10R1.22 Cc1nc(c(c(n1)Cl)O)C 271570a_203496583355_200011356833 [0,0,0,0,0,1|2,0,1]=4 83 B10R1.22 Cc1nc(nc(c1C)O)N 271570a_203496583355_100000076065 [0,0,0,0,0,1|2,0,1]=4 84 B10R1.118 Cc1cc(c(=O)[nH]c1C)O 271570a_203496583355_100010064231 [0,0,0,0,0,1|1,0,1]=3 85 B10R1.118 Cc1cc(c(cc1C)F)O 271570a_203496583355_100010197417 [0,0,0,0,0,1|2,0,1]=4 86 B10R1.118 Cc1cc(c(cc1C)O)C 271570a_203496583355_100000759388 [0,0,0,0,0,1|2,0,1]=4 87 B10R1.118 Cc1cc(c(cc1C)O)N 271570a_203496583355_100012337760 [0,0,0,0,0,1|2,0,1]=4 88 B10R1.118 Cc1cc(c(cc1C)O)O 271570a_203496583355_100009814663 [0,0,0,0,0,1|1,0,2]=4 89 B10R1.118 Cc1cc(c(nc1C)N)O 271570a_203496583355_100009990238 [0,0,0,0,0,1|2,0,1]=4 90 B10R1.118 Cc1nc(c(nc1C)O)N 271570a_203496583355_100012282008 [0,0,0,0,0,1|2,0,1]=4 91 B10R1.118 Cc1nc(c(nc1C)O)O 271570a_203496583355_100000717854 [0,0,0,0,0,1|1,0,2]=4 92 B7R0.2 C=CC(=O)CC(C)C 1458a_100000185746_100000210624 [1,0,1,0,0,0|2,0,0]=4 93 B7R0.2 C=CC(=O)NC(C)C 1626a_100138425928_100000185746 [1,0,1,0,0,0|2,0,0]=4 94 B7R0.2 C=CC(=O)NC(C)C 240690a_100138425928_200121576911 [1,0,1,0,0,0|2,0,0]=4 95 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_100009818208_200025704644 [1,0,1,0,0,0|1,0,1]=4 96 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_200025704644_100009818208 [1,0,1,0,0,0|1,0,1]=4 97 B7R0.2 CC(C)CC(=O)CO 1458a_100000210174_100000210624 [1,0,1,0,0,0|1,0,1]=4 98 B7R0.2 CC(C)NC(=O)CO 240690a_100138425928_100000210174 [1,0,1,0,0,0|1,0,1]=4 99 B7R0.2 CC(C)NC(=O)CO 527a_100138425928_100000210174 [1,0,1,0,0,0|1,0,1]=4 100 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [1,0,1,0,0,0|1,0,0]=3 101 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [1,0,1,0,0,0|1,0,0]=3 102 B7R0.2 CCN(C)CC(=O)O 269956a_100000746405_200000210301 [1,0,1,0,0,0|1,0,1]=4 103 B7R0.2 CCN(C)CC(=O)O 269956a_100000746989_100000210202 [1,0,1,0,0,0|1,0,1]=4 104 B7R0.2 CCN([13CH3])CC(=O)O 269956a_100000746405_200025704644 [1,0,1,0,0,0|1,0,1]=4 105 B7R0.2 CSC(C)OC(=O)C 62a_100009818208_200000210301 [1,0,1,0,0,0|1,0,1]=4 106 B7R0.2 CSC(C)OC(=O)C 62a_200000210301_100009818208 [1,0,1,0,0,0|1,0,1]=4 107 B7R0.5 C=C(Br)C(=O)NCC 11a_100015525214_100009813364 [1,0,1,0,0,0|2,0,0]=4 108 B7R0.5 C=C(C)C(=O)CCC 1458a_100000185857_100000210303 [1,0,1,0,0,0|2,0,0]=4 109 B7R0.5 C=C(C)C(=O)NCC 11a_100015525214_100000185857 [1,0,1,0,0,0|2,0,0]=4 110 B7R0.5 C=C(Cl)C(=O)NCC 11a_100015525214_100000039160 [1,0,1,0,0,0|2,0,0]=4 111 B7R0.5 C=C(F)C(=O)NCC 11a_100015525214_100000036797 [1,0,1,0,0,0|2,0,0]=4 112 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [1,0,1,0,0,0|2,0,0]=4 113 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [1,0,1,0,0,0|2,0,0]=4 114 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [1,0,1,0,0,0|1,0,1]=4 115 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [1,0,1,0,0,0|1,0,1]=4 116 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [1,0,1,0,0,0|1,0,1]=4 117 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [1,0,1,0,0,0|1,0,1]=4 118 B7R0.5 CCNC(=O)[C@@H](C)O 240690a_100015525214_100000717761 [1,0,1,0,0,0|1,0,1]=4 119 B7R0.5 CCNC(=O)[C@H](C)O 240690a_100015525214_217856618621 [1,0,1,0,0,0|1,0,1]=4 120 B7R0.10 C/C=C(\C)/C(=O)CC 1458a_100020587367_100000210202 [1,0,1,0,0,0|1,0,0]=3 121 B7R0.10 C/C=C(\C)/C(=O)CF 1458a_100020587367_100015361967 [1,0,1,0,0,0|2,0,0]=4 122 B7R0.10 C/C=C(\C)/C(=O)NC 11a_106832991635_100020587367 [1,0,1,0,0,0|2,0,0]=4 123 B7R0.10 C/C=C(\C)/C(=O)NC 1626a_100102657272_100020587367 [1,0,1,0,0,0|2,0,0]=4 124 B7R0.10 CCC(=O)C(=O)NC 1458a_100011218921_100000210202 [1,0,1,0,0,0|1,0,1]=4 125 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [1,0,1,0,0,0|0,0,2]=4 126 B7R0.10 CNC(=O)C(=O)OC 11a_106832991635_100000024059 [1,0,1,0,0,0|1,0,1]=4 127 B7R0.10 CNC(=O)C(=O)OC 1626a_100102657272_100000024059 [1,0,1,0,0,0|1,0,1]=4 128 B7R0.10 CNC(=O)C(=O)OC 240690a_100102657272_100000024059 [1,0,1,0,0,0|1,0,1]=4 129 B7R0.10 CNC(=O)C(=O)OC 527a_100102657272_100000024059 [1,0,1,0,0,0|1,0,1]=4 130 B7R0.7 C/C=C/C(C)OCC 34a_200102604097_100000210202 [1,0,1,0,0,0|1,0,1]=4 131 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [1,0,1,0,0,0|1,0,0]=3 132 B7R0.7 CC=CC(=O)CCF 1458a_100000210699_100011217306 [1,0,1,0,0,0|2,0,0]=4 133 B7R0.7 CC=CC(=O)CCO 1458a_100000210699_100000211926 [1,0,1,0,0,0|2,0,0]=4 134 B7R0.7 CC=CC(=O)NCC 11a_100015525214_100000210699 [1,0,1,0,0,0|1,0,0]=3 135 B7R0.7 CC=CC(=O)NCC 240690a_100015525214_100000210699 [1,0,1,0,0,0|1,0,0]=3 136 B7R0.7 CC=CC(=O)NNC 22a_100016993582_100000210699 [1,0,1,0,0,0|2,0,0]=4 137 B7R0.7 CCCC(=O)C=CBr 1458a_100016273825_100000210303 [1,0,1,0,0,0|2,0,0]=4 138 B7R0.7 CCCC(=O)C=CCl 1458a_200016279998_100000210303 [1,0,1,0,0,0|2,0,0]=4 139 B7R0.7 CCCC(=O)C=CI 1458a_100016256311_100000210303 [1,0,1,0,0,0|2,0,0]=4 140 B7R0.7 CCNC(=O)C=CBr 240690a_100015525214_100016273825 [1,0,1,0,0,0|2,0,0]=4 141 B7R0.7 CCNC(=O)C=CCl 11a_100015525214_200016279998 [1,0,1,0,0,0|2,0,0]=4 142 B7R0.7 CCNC(=O)C=CCl 240690a_100015525214_200016279998 [1,0,1,0,0,0|2,0,0]=4 143 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [1,0,1,0,0,0|1,0,1]=4 144 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [1,0,1,0,0,0|1,0,1]=4 145 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [1,0,1,0,0,0|1,0,1]=4 146 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [1,0,1,0,0,0|1,0,1]=4 147 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [1,0,1,0,0,0|1,0,1]=4 148 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [1,0,1,0,0,0|1,0,1]=4 149 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [1,0,1,0,0,0|1,0,1]=4 150 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [1,0,1,0,0,0|1,0,1]=4 151 B7R1.2 Cc1cc(cs1)O 271570a_203496583355_100000759034 [2,0,0,0,0,0|0,1,1]=4 152 B7R1.2 Cn1cc(cn1)O 271570a_203496583355_100000748075 [2,0,0,0,0,0|2,0,0]=4 153 B7R1.4 Cc1cscc1O 271570a_203496583355_100000759966 [2,0,0,0,0,0|0,1,1]=4 154 B7R1.4 Cc1n[nH]cc1O 271570a_203496583355_100011912673 [2,0,0,0,0,0|2,0,0]=4 155 B7R1.4 Cc1oncc1O 271570a_203496583355_100009872056 [2,0,0,0,0,0|2,0,0]=4 156 B7R1.4 Cc1sccc1O 271570a_203496583355_100000684487 [2,0,0,0,0,0|2,0,0]=4 157 B7R1.4 Nc1nocc1O 271570a_203496583355_100012597345 [2,0,0,0,0,0|2,0,0]=4 158 B9R0.27 CCN(C)C(=O)C(=O)OC 11a_100000225621_100000024059 [0,1,1,0,0,0|1,0,1]=4 159 B9R0.27 CCN(C)C(=O)C(=O)OC 1626a_100000225621_100000024059 [0,1,1,0,0,0|1,0,1]=4 160 B9R0.27 CCN(C)C(=O)C(=O)OC 240690a_100000225621_100000024059 [0,1,1,0,0,0|1,0,1]=4 161 B9R0.27 CCN(C)C(=O)C(=O)OC 527a_100000225621_100000024059 [0,1,1,0,0,0|1,0,1]=4 162 B9R0.29 CCN(C)[C@@H](CO)C(=O)O 269956a_100015362447_100000210202 [0,1,1,0,0,0|1,0,1]=4 163 B9R0.8 C/C=C(\C)/C(=O)CCCC 1458a_100020587367_100000210211 [0,1,1,0,0,0|2,0,0]=4 164 B9R0.8 C/C=C(\C)/C(=O)CCCF 1458a_100020587367_100011934791 [0,1,1,0,0,0|2,0,0]=4 165 B9R0.8 C/C=C(\C)/C(=O)CCCO 1458a_100020587367_100011215043 [0,1,1,0,0,0|2,0,0]=4 166 B9R0.8 C/C=C(\C)/C(=O)CCOC 1458a_100020587367_100000233755 [0,1,1,0,0,0|2,0,0]=4 167 B9R0.8 C/C=C(\C)/C(=O)CCSC 1458a_100020587367_100000751147 [0,1,1,0,0,0|2,0,0]=4 168 B9R0.8 C/C=C(\C)/C(=O)NCCC 11a_100020643023_100020587367 [0,1,1,0,0,0|2,0,0]=4 169 B9R0.8 C/C=C(\C)/C(=O)NCCC 1626a_100020643023_100020587367 [0,1,1,0,0,0|2,0,0]=4 170 B9R0.8 C/C=C(\C)/C(=O)NCCF 11a_100000724931_100020587367 [0,1,1,0,0,0|2,0,0]=4 171 B9R0.8 C/C=C(\C)/C(=O)NCCF 1626a_100000724931_100020587367 [0,1,1,0,0,0|2,0,0]=4 172 B9R0.8 C/C=C(\C)/C(=O)NNCC 22a_100000756455_100020587367 [0,1,1,0,0,0|2,0,0]=4 173 B9R0.8 C=C[C@@H](C)[C@@H](C)OCC=O 34a_100015455354_200009817547 [0,1,1,0,0,0|1,0,1]=4 174 B9R0.8 C=C[C@@H](C)[C@@H](C)OCC=O 7a_100015455354_200015260668 [0,1,1,0,0,0|1,0,1]=4 175 B9R0.8 CCOCC(=O)C(=O)OC 34a_100121572206_100011610305 [0,1,1,0,0,0|1,0,1]=4 176 B9R0.23 C/C=C(\C)/C(=O)CC(C)C 1458a_100020587367_100000210624 [0,1,1,0,0,0|2,0,0]=4 177 B9R0.23 C/C=C(\C)/C(=O)CC(C)O 1458a_100020587367_100011218427 [0,1,1,0,0,0|2,0,0]=4 178 B9R0.23 C/C=C(\C)/C(=O)NC(C)C 11a_100138425928_100020587367 [0,1,1,0,0,0|2,0,0]=4 179 B9R0.23 C/C=C(\C)/C(=O)NC(C)C 1626a_100138425928_100020587367 [0,1,1,0,0,0|2,0,0]=4 180 B9R0.23 C=CC(=O)C(C)OC(=O)C 1458a_100000185746_100009818208 [0,1,1,0,0,0|2,0,0]=4 181 B9R0.23 CC(=O)OC(C)C(=O)CO 1458a_100000210174_100009818208 [0,1,1,0,0,0|1,0,1]=4 182 B9R0.35 C=C(CNC)C(=O)OCC 34a_100102657272_100000755967 [0,1,1,0,0,0|1,0,1]=4 183 B9R0.35 C=C(CNC)C(=O)OCC 7a_106832991635_100000755967 [0,1,1,0,0,0|1,0,1]=4 184 B9R0.35 C=C(COC)C(=O)OCC 34a_100138415774_100000755967 [0,1,1,0,0,0|1,0,1]=4 185 B9R0.35 C=C(CSC)C(=O)OCC 62a_100000755967_200000210301 [0,1,1,0,0,0|1,0,1]=4 186 B9R0.35 C=C(CSC)C(=O)OCC 62a_200000210301_100000755967 [0,1,1,0,0,0|1,0,1]=4 187 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_100000755967_200025704644 [0,1,1,0,0,0|1,0,1]=4 188 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_200025704644_100000755967 [0,1,1,0,0,0|1,0,1]=4 189 B9R0.35 CC/C=C(\C)/C(=O)CCC 1458a_100016988807_100000210303 [0,1,1,0,0,0|2,0,0]=4 190 B9R0.35 CC/C=C(\C)/C(=O)NCC 11a_100015525214_100016988807 [0,1,1,0,0,0|2,0,0]=4 191 B9R0.35 CC/C=C(\C)/C(=O)NCC 240690a_100015525214_100016988807 [0,1,1,0,0,0|2,0,0]=4 192 B9R0.35 CC/C=C(\C)/C(=O)NCC 527a_100015525214_100016988807 [0,1,1,0,0,0|2,0,0]=4 193 B9R0.35 CCNC(=O)C(=O)OCC 11a_100015525214_100014798877 [0,1,1,0,0,0|0,0,2]=4 194 B9R0.35 CCNC(=O)C(=O)OCC 240690a_100015525214_100014798877 [0,1,1,0,0,0|0,0,2]=4 195 B9R0.35 CCOC(=O)C(=O)CSC 62a_100000211299_200000210301 [0,1,1,0,0,0|0,0,2]=4 196 B9R0.35 CCOC(=O)C(=O)CSC 62a_200000210301_100000211299 [0,1,1,0,0,0|0,0,2]=4 197 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_100000211299_200025704644 [0,1,1,0,0,0|0,0,2]=4 198 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_200025704644_100000211299 [0,1,1,0,0,0|0,0,2]=4 199 B9R0.37 CCOC(=O)C(CC)OC 34a_100011216719_200000210301 [0,1,1,0,0,0|0,0,2]=4 200 B9R0.37 CCOC(=O)C(CC)OC 34a_100138415774_100000212269 [0,1,1,0,0,0|0,0,2]=4 201 B9R0.37 CCOC(=O)C(CC)OC 7a_100011216719_200000210301 [0,1,1,0,0,0|0,0,2]=4 202 B9R0.37 CCOC(=O)C(CC)O[13CH3] 34a_100011216719_200025704644 [0,1,1,0,0,0|0,0,2]=4 203 B9R0.37 CCOC(=O)C(CC)O[13CH3] 7a_100011216719_200025704644 [0,1,1,0,0,0|0,0,2]=4 204 B9R0.37 CCOC(=O)C(OC)SC 34a_100138415774_100009893047 [0,1,1,0,0,0|1,0,1]=4 205 B9R1.22 COC1CC(OC1=O)C 34a_100138415774_200000216747 [1,1,0,0,0,0|0,0,2]=4 206 B9R1.22 Cc1cc(c(s1)C=O)O 271570a_203496583355_100011361552 [1,1,0,0,0,0|0,1,1]=4 207 B9R1.23 CC1=CC(OC1=O)S[13CH3] 62a_200009893386_200025704644 [1,1,0,0,0,0|1,0,0]=3 208 B9R1.23 CC1=CC(OC1=O)S[13CH3] 62a_200025704644_200009893386 [1,1,0,0,0,0|1,0,0]=3 209 B9R1.23 CNC1C=C(C(=O)O1)C 2230a_106832991635_200009893386 [1,1,0,0,0,0|1,0,0]=3 210 B9R1.23 CSC1C=C(C(=O)O1)C 62a_200000210301_200009893386 [1,1,0,0,0,0|1,0,0]=3 211 B9R1.23 CSC1C=C(C(=O)O1)C 62a_200009893386_200000210301 [1,1,0,0,0,0|1,0,0]=3 212 B9R1.27 CCc1c(cnn1C)O 271570a_203496583355_200010713286 [1,1,0,0,0,0|2,0,0]=4 213 B9R1.27 COC1C(=O)COC1=O 34a_100138415774_100000032967 [1,1,0,0,0,0|1,0,1]=4 214 B9R1.27 CSc1c(noc1C)O 62a_100010730664_200000210301 [1,1,0,0,0,0|1,0,1]=4 215 B9R1.27 CSc1c(noc1C)O 62a_200000210301_100010730664 [1,1,0,0,0,0|1,0,1]=4 216 B9R1.27 Cc1onc(c1S[13CH3])O 62a_100010730664_200025704644 [1,1,0,0,0,0|1,0,1]=4 217 B9R1.27 Cc1onc(c1S[13CH3])O 62a_200025704644_100010730664 [1,1,0,0,0,0|1,0,1]=4 218 B9R1.27 Cn1ncc(c1CO)O 271570a_203496583355_100012039568 [1,1,0,0,0,0|2,0,0]=4 219 B9R1.132 CCn1ncc(c1C)O 271570a_203496583355_100012002569 [1,1,0,0,0,0|2,0,0]=4 220 B9R1.28 COC1C(=O)C(=O)C1=O 7a_100010658403_200000210301 [0,1,0,0,1,0|1,0,1]=4 221 B9R1.28 [13CH3]OC1C(=O)C(=O)C1=O 7a_100010658403_200025704644 [0,1,0,0,1,0|1,0,1]=4 222 B11R1.8 COc1cc(=O)[nH]c(c1C)C 34a_200000102741_200000210301 [0,1,0,0,0,1|1,0,1]=4 223 B11R1.8 COc1cc(=O)[nH]c(c1C)C 7a_200000102741_200000210301 [0,1,0,0,0,1|1,0,1]=4 224 B11R1.8 Cc1[nH]c(=O)cc(c1C)O[13CH3] 34a_200000102741_200025704644 [0,1,0,0,0,1|1,0,1]=4 225 B11R1.8 Cc1[nH]c(=O)cc(c1C)O[13CH3] 7a_200000102741_200025704644 [0,1,0,0,0,1|1,0,1]=4 226 B11R1.277 Cc1cc(c(cc1C)C=O)O 271570a_203496583355_100010184403 [0,1,0,0,0,1|1,0,1]=4 227 B11R1.72 COc1c(n(ccc1=O)C)C 34a_100000032683_200000210301 [0,1,0,0,0,1|2,0,0]=4 228 B11R1.72 COc1c(n(ccc1=O)C)C 7a_100000032683_200000210301 [0,1,0,0,0,1|2,0,0]=4 229 B11R1.72 Cc1c(c(=O)ccn1C)O[13CH3] 34a_100000032683_200025704644 [0,1,0,0,0,1|2,0,0]=4 230 B11R1.72 Cc1c(c(=O)ccn1C)O[13CH3] 7a_100000032683_200025704644 [0,1,0,0,0,1|2,0,0]=4 231 B9R1.34 Cc1cc(cc(=O)[nH]1)O 271570a_203496583355_100009861981 [1,0,0,0,0,1|1,0,1]=4