0 B8R1.18 CC1=CC(=O)OC1O TS32042 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.18 CC1C(=NC(O1)C)C TS32019 [0,0,0,0,0,0|0,0,0]=0 2 B8R1.18 CC1C(=O)C=C(O1)C TS31920 [0,0,0,0,0,0|2,0,1]=3 3 B8R1.18 CC1CC(=C)C(=O)O1 TS31903 [0,0,0,0,0,0|2,0,2]=4 4 B8R1.18 CC1CC(=O)N(N1)C TS32083 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.18 CC1CC(C(=O)O1)Br TS47655 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.18 C[C@@H]1C[C@H]([C@H](C1)C)C TS31966 [0,0,0,0,0,0|2,0,1]=3 7 B8R1.18 C[C@H]1C[C@@H]([C@H](C1)C)C TS04355 [0,0,0,0,0,0|2,0,1]=3 8 B8R1.18 Cc1c(cn(n1)C)Br TS88783 [0,0,0,0,0,0|3,0,1]=4 9 B8R1.18 Cc1c(cn(n1)C)Cl TS36572 [0,0,0,0,0,0|3,0,1]=4 10 B8R1.18 Cc1c(cn(n1)C)N TS91570 [0,0,0,0,0,0|3,0,1]=4 11 B8R1.18 Cc1c(nc([nH]1)S)C TS36322 [0,0,0,0,0,0|2,0,2]=4 12 B8R1.18 Cc1c(oc(=O)o1)C TS60038 [0,0,0,0,0,0|2,0,2]=4 13 B8R1.18 Cc1c(oc(n1)C)C TS00589 [0,0,0,0,0,0|0,0,2]=2 14 B8R1.18 Cc1c(sc(n1)C)Br TS16973 [0,0,0,0,0,0|1,1,2]=4 15 B8R1.18 Cc1c(sc(n1)C)C TS36251 [0,0,0,0,0,0|0,1,2]=3 16 B8R1.18 Cc1c(sc(n1)N)C TS11966 [0,0,0,0,0,0|1,1,2]=4 17 B8R1.18 Cc1c(sc(n1)S)C TS40347 [0,0,0,0,0,0|1,1,2]=4 18 B8R1.18 Cc1cc(c(o1)C)S TS36314 [0,0,0,0,0,0|2,0,2]=4 19 B8R1.18 Cc1cc(n(n1)C)C TS00358 [0,0,0,0,0,0|2,0,2]=4 20 B8R1.18 Cc1cc(sc1C)C TS36170 [0,0,0,0,0,0|1,1,2]=4 21 B7R1.2 CC1=CC(=O)OC1 TS03763 [1,0,0,0,0,0|2,0,1]=4 22 B7R1.2 CC1CCC(N1)C TS94712 [1,0,0,0,0,0|1,0,2]=4 23 B7R1.2 CC1CCC(O1)C TS47281 [1,0,0,0,0,0|1,0,1]=3 24 B7R1.2 CC1COC(O1)C TS03942 [1,0,0,0,0,0|1,0,1]=3 25 B7R1.2 C[C@@H]1CCC(=O)O1 TS31495 [1,0,0,0,0,0|3,0,0]=4 26 B7R1.2 C[C@@H]1CC[C@@H](C1)C TS03800 [1,0,0,0,0,0|2,0,1]=4 27 B7R1.2 C[C@H]1CC[C@@H](C1)C TS31449 [1,0,0,0,0,0|2,0,1]=4 28 B7R1.2 Cc1c[nH]c(n1)C TS00643 [1,0,0,0,0,0|1,0,2]=4 29 B7R1.2 Cc1cc(on1)C TS08855 [1,0,0,0,0,0|2,0,1]=4 30 B7R1.2 Cc1ccc(o1)C TS31370 [1,0,0,0,0,0|1,0,2]=4 31 B7R1.2 Cc1ccn(n1)C TS39993 [1,0,0,0,0,0|2,0,1]=4 32 B7R1.2 Cc1cnc(s1)C TS32026 [1,0,0,0,0,0|0,1,2]=4 33 B7R1.2 Cc1cnn(c1)C TS31378 [1,0,0,0,0,0|2,0,1]=4 34 B7R1.2 Cc1coc(n1)C TS31396 [1,0,0,0,0,0|0,0,2]=3 35 B7R1.2 Cc1coc(n1)N TS71223 [1,0,0,0,0,0|1,0,2]=4 36 B7R1.2 Cc1csc(n1)C TS00648 [1,0,0,0,0,0|0,1,2]=4 37 B7R1.4 CC1=C(CCC1)C TS03727 [1,0,0,0,0,0|2,0,1]=4 38 B7R1.4 CC1=C(CCO1)S TS04610 [1,0,0,0,0,0|2,0,1]=4 39 B7R1.4 CC1=C(CCO1)S TS11013 [1,0,0,0,0,0|2,0,1]=4 40 B7R1.4 CC1=CCOC1=O TS03756 [1,0,0,0,0,0|2,0,1]=4 41 B7R1.4 CC1=[N+](CCS1)C TS26975 [1,0,0,0,0,0|3,0,0]=4 42 B7R1.4 CC1C(=O)CCO1 TS31501 [1,0,0,0,0,0|2,0,0]=3 43 B7R1.4 CC1C(=O)CCS1 TS04612 [1,0,0,0,0,0|2,1,0]=4 44 B7R1.4 CC1C(CCO1)S TS32361 [1,0,0,0,0,0|2,0,1]=4 45 B7R1.4 CC1CCC=C1C TS31386 [1,0,0,0,0,0|2,0,0]=3 46 B7R1.4 CC1CCNC1=O TS70662 [1,0,0,0,0,0|2,0,1]=4 47 B7R1.4 CC1CCOC1=O TS59696 [1,0,0,0,0,0|3,0,0]=4 48 B7R1.4 C[C@@H]1CCC[C@@H]1C TS03788 [1,0,0,0,0,0|2,0,1]=4 49 B7R1.4 C[C@@H]1CCC[C@H]1C TS03797 [1,0,0,0,0,0|2,0,1]=4 50 B7R1.4 Cc1c(nc[nH]1)C TS31375 [1,0,0,0,0,0|1,0,2]=4 51 B7R1.4 Cc1c(non1)C TS03773 [1,0,0,0,0,0|2,0,1]=4 52 B7R1.4 Cc1c(ocn1)C TS31395 [1,0,0,0,0,0|0,0,2]=3 53 B7R1.4 Cc1c(scn1)C TS32025 [1,0,0,0,0,0|0,1,2]=4 54 B7R1.4 Cc1ccoc1C TS31373 [1,0,0,0,0,0|1,0,2]=4 55 B7R1.4 Cc1nccn1C TS31380 [1,0,0,0,0,0|2,0,1]=4 56 B9R1.22 Cc1c(cn(n1)C)CN TS39971 [0,1,0,0,0,0|2,0,1]=4 57 B9R1.22 Cc1c(nc(o1)C)C=O TS05078 [0,1,0,0,0,0|0,0,3]=4 58 B9R1.22 Cc1c(nc(o1)C)CCl TS07148 [0,1,0,0,0,0|0,0,2]=3 59 B9R1.22 Cc1c(oc(n1)C)C=O TS05081 [0,1,0,0,0,0|0,0,3]=4 60 B9R1.22 Cc1c(sc(n1)C)CCl TS42364 [0,1,0,0,0,0|0,1,2]=4 61 B9R1.22 Cc1c(sc(n1)C)CN TS32752 [0,1,0,0,0,0|0,1,2]=4 62 B9R1.22 Cc1c(sc(n1)C)CO TS85103 [0,1,0,0,0,0|0,1,2]=4 63 B9R1.22 Cc1cc(c(o1)C)CN TS36058 [0,1,0,0,0,0|1,0,2]=4 64 B9R1.23 CCC1N=C(C(S1)C)C TS06882 [0,1,0,0,0,0|0,1,0]=2 65 B9R1.23 CCc1nc(c(o1)C)C TS36061 [0,1,0,0,0,0|0,0,2]=3 66 B9R1.36 CC1=C(CC(C1)(C)C)C TS05064 [0,1,0,0,0,0|2,0,1]=4 67 B9R1.36 CC1C(=O)OC(S1)(C)C TS40452 [0,1,0,0,0,0|2,1,0]=4 68 B9R1.36 CC1CC(CC1=O)(C)C TS36158 [0,1,0,0,0,0|3,0,0]=4 69 B9R1.36 CC1CC(CC1C)(C)C TS05228 [0,1,0,0,0,0|2,0,1]=4 70 B9R1.36 C[C@@H]1CC(C[C@@H]1C)(C)C TS05215 [0,1,0,0,0,0|2,0,1]=4 71 B9R1.36 C[C@@H]1CC(C[C@H]1C)(C)C TS36186 [0,1,0,0,0,0|2,0,1]=4 72 B9R1.37 CC1C(=C(C(=O)O1)O)C TS36275 [0,1,0,0,0,0|2,0,1]=4 73 B9R1.37 CC1C(=O)C(=C(O1)C)O TS36276 [0,1,0,0,0,0|2,0,1]=4 74 B9R1.37 CC1CC(C(C1C)C)C TS35724 [0,1,0,0,0,0|2,0,1]=4 75 B9R1.37 CC1CC(C(C1C)C)C TS35990 [0,1,0,0,0,0|2,0,1]=4 76 B9R1.37 CC1CC(C(C1C)C)C TS36179 [0,1,0,0,0,0|2,0,1]=4 77 B9R1.37 CC1CC(C(C1C)C)C TS56016 [0,1,0,0,0,0|2,0,1]=4 78 B9R1.37 CC1CC(C(C1C)C)C TS61459 [0,1,0,0,0,0|2,0,1]=4 79 B9R1.37 CC1CC(C(C1C)C)C TS67509 [0,1,0,0,0,0|2,0,1]=4 80 B9R1.37 CC1CC(C(C1C)C)C TS74665 [0,1,0,0,0,0|2,0,1]=4 81 B9R1.37 CC1CC(C(C1C)C)C TS81236 [0,1,0,0,0,0|2,0,1]=4 82 B9R1.37 CC1CC(C(C1C)C)C TS83325 [0,1,0,0,0,0|2,0,1]=4 83 B9R1.37 Cc1c(n(c(n1)C)C)C TS36019 [0,1,0,0,0,0|1,0,2]=4 84 B9R1.38 CC1=CC(=CC1(C)[Zr+3])C TS75776 [0,1,0,0,0,0|2,0,1]=4 85 B9R1.38 CC1CC(=O)C(C1)(C)C TS05199 [0,1,0,0,0,0|3,0,0]=4 86 B7R0.2 CC(C)CC(C)C=C TS04359 [0,0,1,0,0,0|2,0,1]=4 87 B7R0.2 CCC(=C)CC(C)C TS04352 [0,0,1,0,0,0|2,0,1]=4 88 B7R0.2 CCC(=O)CC(C)C TS32113 [0,0,1,0,0,0|3,0,0]=4 89 B7R0.2 CCC(C)CC(C)C TS04502 [0,0,1,0,0,0|2,0,1]=4 90 B7R0.2 CCC(C)CC(C)N TS04563 [0,0,1,0,0,0|1,0,2]=4 91 B7R0.2 CCC(C)CC(C)N TS10102 [0,0,1,0,0,0|1,0,2]=4 92 B7R0.2 CCC(C)CC(C)O TS32253 [0,0,1,0,0,0|1,0,1]=3 93 B7R0.2 CCC(C)OC(=O)C TS32210 [0,0,1,0,0,0|1,0,2]=4 94 B7R0.2 CCC(CC(C)O)O TS32344 [0,0,1,0,0,0|2,0,1]=4 95 B7R0.2 C[C@@H](CC(=O)OC)O TS77156 [0,0,1,0,0,0|3,0,0]=4 96 B7R0.2 C[C@H](CC(=O)OC)O TS01535 [0,0,1,0,0,0|3,0,0]=4 97 B7R0.5 CCC=C(C)C(=O)O TS04448 [0,0,1,0,0,0|2,0,1]=4 98 B7R0.5 CCC=C(C)C(C)C TS31953 [0,0,1,0,0,0|2,0,0]=3 99 B7R0.5 CCC=C(C)C(C)O TS04482 [0,0,1,0,0,0|1,0,0]=2 100 B7R0.5 CCCC(=C(C)C)C TS04362 [0,0,1,0,0,0|2,0,1]=4 101 B7R0.5 CCCC(=C)C(C)C TS04341 [0,0,1,0,0,0|2,0,1]=4 102 B7R0.5 CCCC(=O)C(C)C TS32114 [0,0,1,0,0,0|3,0,0]=4 103 B7R0.5 CCCC(C)C(=C)C TS31970 [0,0,1,0,0,0|2,0,0]=3 104 B7R0.5 CCCC(C)C(=O)C TS04464 [0,0,1,0,0,0|2,0,0]=3 105 B7R0.5 CCCC(C)C(=O)Cl TS05952 [0,0,1,0,0,0|3,0,0]=4 106 B7R0.5 CCCC(C)C(C)C TS04507 [0,0,1,0,0,0|2,0,1]=4 107 B7R0.5 CCCC(C)C(C)O TS32245 [0,0,1,0,0,0|1,0,1]=3 108 B7R0.5 CCNC(C)C(C)C TS04548 [0,0,1,0,0,0|1,0,2]=4 109 B7R0.5 CCOC(=O)C(=C)C TS00098 [0,0,1,0,0,0|2,0,1]=4 110 B7R0.5 CCOC(=O)C(=O)C TS01478 [0,0,1,0,0,0|2,0,1]=4 111 B7R0.5 CCOC(=O)C(C)Br TS55906 [0,0,1,0,0,0|3,0,0]=4 112 B7R0.5 CCOC(=O)C(C)C TS32217 [0,0,1,0,0,0|3,0,0]=4 113 B7R0.5 CCOC(=O)C(C)Cl TS55916 [0,0,1,0,0,0|3,0,0]=4 114 B7R0.5 CCOC(=O)C(C)F TS32420 [0,0,1,0,0,0|3,0,0]=4 115 B7R0.5 CCOC(=O)C(C)N TS55877 [0,0,1,0,0,0|3,0,0]=4 116 B7R0.5 CCOC(=O)C(C)O TS04714 [0,0,1,0,0,0|2,0,0]=3 117 B7R0.5 CCOC(=O)C(C)S TS05920 [0,0,1,0,0,0|2,1,0]=4 118 B7R0.5 CCOC(=O)[C@@H](C)N TS41313 [0,0,1,0,0,0|3,0,0]=4 119 B7R0.5 CCOC(=O)[C@@H](C)O TS08773 [0,0,1,0,0,0|2,0,0]=3 120 B7R0.5 CCOC(=O)[C@H](C)Cl TS06132 [0,0,1,0,0,0|3,0,0]=4 121 B7R0.5 CCOC(=O)[C@H](C)N TS02287 [0,0,1,0,0,0|3,0,0]=4 122 B7R0.5 CCOC(=O)[C@H](C)O TS04715 [0,0,1,0,0,0|2,0,0]=3 123 B7R0.7 CCCC(C)CC=C TS31971 [0,0,1,0,0,0|2,0,1]=4 124 B7R0.7 CCCC(C)CCC TS04512 [0,0,1,0,0,0|2,0,1]=4 125 B7R0.7 CCCC(C)N=C=S TS36445 [0,0,1,0,0,0|2,0,1]=4 126 B7R0.7 CCCC(C)OCC TS32250 [0,0,1,0,0,0|1,0,1]=3 127 B7R0.7 CCCC(C=CC)O TS04465 [0,0,1,0,0,0|3,0,0]=4 128 B7R0.7 CCOC(=NC#N)C TS64892 [0,0,1,0,0,0|1,0,2]=4 129 B7R0.7 CCOC(=O)C=CC TS04436 [0,0,1,0,0,0|2,0,1]=4 130 B7R0.7 CCOC(C)OCC TS04742 [0,0,1,0,0,0|1,0,1]=3 131 B7R0.7 CCOC(OCC)[SiH3] TS36880 [0,0,1,0,0,0|1,1,1]=4 132 B7R0.7 CCOP(C)OCC TS36977 [0,0,1,0,0,0|2,0,1]=4 133 B9R2.39 C1C[C@H]2C[C@@H]1C(=O)N2 TS04254 [0,0,0,1,0,0|2,0,1]=4 134 B9R1.34 CC1C=C(CC(=C1)C)C TS32529 [0,0,0,0,0,1|2,0,1]=4 135 B9R1.34 CC1CC(=O)CC(O1)C TS05346 [0,0,0,0,0,1|2,0,0]=3 136 B9R1.34 CC1CC(CC(=O)C1)C TS22764 [0,0,0,0,0,1|3,0,0]=4 137 B9R1.34 CC1CC(CC(C1)C)C TS05213 [0,0,0,0,0,1|2,0,1]=4 138 B9R1.34 CC1NC(SC(S1)C)C TS42643 [0,0,0,0,0,1|0,1,2]=4 139 B9R1.34 CC1OC(OC(O1)C)C TS01635 [0,0,0,0,0,1|1,0,1]=3 140 B9R1.34 C[C@@H]1C[C@@H](CC(=O)C1)C TS36153 [0,0,0,0,0,1|3,0,0]=4 141 B9R1.34 C[C@H]1C[C@@H](C[C@@H](C1)C)C TS05229 [0,0,0,0,0,1|2,0,1]=4 142 B9R1.34 C[C@H]1C[C@H](C[C@H](C1)C)C TS05210 [0,0,0,0,0,1|2,0,1]=4 143 B9R1.34 Cc1cc(nc(c1)C)C TS32481 [0,0,0,0,0,1|1,0,2]=4 144 B9R1.34 Cc1cc(nc(c1)C)C TS37495 [0,0,0,0,0,1|1,0,2]=4 145 B9R1.69 CC1CC(C(C=C1)C)C TS05039 [0,0,0,0,0,1|2,0,1]=4 146 B9R1.69 CC1CCC(C(=O)C1)C TS05183 [0,0,0,0,0,1|3,0,0]=4 147 B9R1.69 CC1CCC(C(C1)C)C TS05216 [0,0,0,0,0,1|2,0,1]=4 148 B9R1.69 C[C@@H]1CN[C@H](CN1C)C TS36356 [0,0,0,0,0,1|3,0,0]=4 149 B9R1.69 Cc1cc(c(nc1)C)C TS04868 [0,0,0,0,0,1|1,0,2]=4 150 B9R1.69 Cc1ccc(nc1C)C TS04872 [0,0,0,0,0,1|1,0,2]=4 151 B9R1.69 Cc1ccc(nc1C)C TS26913 [0,0,0,0,0,1|1,0,2]=4 152 B9R1.69 Cc1cnc(c(n1)C)C TS04917 [0,0,0,0,0,1|1,0,2]=4 153 B6R0.1 CC(COC)OC TS94098 [1,0,1,0,0,0|2,0,0]=4 154 B6R0.1 CC=C(C)CCO TS03864 [1,0,1,0,0,0|1,0,1]=4 155 B6R0.1 CCC(=O)NCC TS03904 [1,0,1,0,0,0|1,0,1]=4 156 B6R0.1 CCC(=O)OCC TS03938 [1,0,1,0,0,0|2,0,0]=4 157 B6R0.1 CCC(=O)SCC TS32362 [1,0,1,0,0,0|2,0,0]=4 158 B6R0.1 CCC(C)C#CC TS03735 [1,0,1,0,0,0|1,0,1]=4 159 B6R0.1 CCC(C)C=CC TS03791 [1,0,1,0,0,0|1,0,0]=3 160 B6R0.1 CCC(C)CC=C TS03804 [1,0,1,0,0,0|1,0,1]=4 161 B6R0.1 CCC(C)CC=O TS31513 [1,0,1,0,0,0|2,0,0]=4 162 B6R0.1 CCC(C)CCO TS31615 [1,0,1,0,0,0|1,0,1]=4 163 B6R0.1 CCC(C)N=C=S TS04544 [1,0,1,0,0,0|1,0,1]=4 164 B6R0.1 CCC(C)SCC TS04755 [1,0,1,0,0,0|0,1,1]=4 165 B6R0.1 CCC(C=CC)O TS03868 [1,0,1,0,0,0|2,0,0]=4 166 B6R0.1 CCCC(=C)CC TS03794 [1,0,1,0,0,0|1,0,1]=4 167 B6R0.1 CCCC(=CC)C TS31455 [1,0,1,0,0,0|1,0,1]=4 168 B6R0.1 CCCC(=O)CC TS31522 [1,0,1,0,0,0|2,0,0]=4 169 B6R0.1 CCCC(C)C=C TS03798 [1,0,1,0,0,0|1,0,1]=4 170 B6R0.1 CCCC(C)C=O TS01565 [1,0,1,0,0,0|2,0,0]=4 171 B6R0.1 CCCC(C)CC TS03886 [1,0,1,0,0,0|1,0,1]=4 172 B6R0.1 CCCC(C)CO TS39282 [1,0,1,0,0,0|1,0,1]=4 173 B6R0.1 CCCC(C)NC TS03920 [1,0,1,0,0,0|1,0,1]=4 174 B6R0.1 CCOC(=O)CO TS56147 [1,0,1,0,0,0|2,0,0]=4 175 B6R0.1 CC[C@H](C)CCO TS31612 [1,0,1,0,0,0|1,0,1]=4 176 B6R0.2 CC(=NN(C)C)C TS03874 [1,0,1,0,0,0|2,0,0]=4 177 B6R0.2 CC(C)CC(C)Br TS42854 [1,0,1,0,0,0|2,0,0]=4 178 B6R0.2 CC(C)CC(C)C TS03884 [1,0,1,0,0,0|2,0,0]=4 179 B6R0.2 CC(C)CC(C)Cl TS04844 [1,0,1,0,0,0|2,0,0]=4 180 B6R0.2 CC(C)CC(C)N TS31566 [1,0,1,0,0,0|1,0,1]=4 181 B6R0.2 CC(C)CC(C)N TS94386 [1,0,1,0,0,0|1,0,1]=4 182 B6R0.2 CC(C)CC(C)O TS31610 [1,0,1,0,0,0|1,0,1]=4 183 B6R0.2 CC(C)NC(C)C TS37146 [1,0,1,0,0,0|2,0,0]=4 184 B6R0.2 CC(C)NC(C)C TS37509 [1,0,1,0,0,0|2,0,0]=4 185 B6R0.2 CC(C)NC(C)C TS39848 [1,0,1,0,0,0|2,0,0]=4 186 B6R0.2 CC(C)NC(C)C TS52959 [1,0,1,0,0,0|2,0,0]=4 187 B6R0.2 CC(C)OC(=O)C TS01509 [1,0,1,0,0,0|1,0,1]=4 188 B6R0.2 CC(C)OC(C)C TS39676 [1,0,1,0,0,0|1,0,0]=3 189 B6R0.2 CC(C)O[Al](C)C TS04573 [1,0,1,0,0,0|2,0,0]=4 190 B6R0.2 CC(C)PC(C)C TS04732 [1,0,1,0,0,0|2,0,0]=4 191 B6R0.2 CC(C)SC(C)C TS04751 [1,0,1,0,0,0|1,1,0]=4 192 B6R0.2 CC(C)[Hg]C(C)C TS35001 [1,0,1,0,0,0|2,0,0]=4 193 B6R0.2 CC(C)[N-]C(C)C TS74519 [1,0,1,0,0,0|2,0,0]=4 194 B6R0.2 CC(C)[SiH2]C(C)C TS04646 [1,0,1,0,0,0|2,0,0]=4 195 B6R0.2 CC(C=C(C)C)O TS03862 [1,0,1,0,0,0|1,0,0]=3 196 B6R0.2 CC(CC(=C)C)O TS31505 [1,0,1,0,0,0|1,0,1]=4 197 B6R0.2 CC(CN(C)C)O TS04008 [1,0,1,0,0,0|2,0,0]=4 198 B6R0.2 C[C@@H](CN(C)C)O TS04004 [1,0,1,0,0,0|2,0,0]=4 199 B6R0.4 CCC#CC(C)O TS31430 [1,0,1,0,0,0|1,0,1]=4 200 B6R0.4 CCC=CC(C)C TS03789 [1,0,1,0,0,0|2,0,0]=4 201 B6R0.4 CCCCC(=C)C TS31452 [1,0,1,0,0,0|2,0,0]=4 202 B6R0.4 CCCCC(=O)C TS31529 [1,0,1,0,0,0|2,0,0]=4 203 B6R0.4 CCCCC(C)O TS31617 [1,0,1,0,0,0|1,0,1]=4 204 B6R0.4 CCCC[C@@H](C)O TS03965 [1,0,1,0,0,0|1,0,1]=4 205 B6R0.4 CCCC[C@H](C)O TS31613 [1,0,1,0,0,0|1,0,1]=4 206 B6R0.4 CCNCC(=C)C TS03829 [1,0,1,0,0,0|2,0,0]=4 207 B6R0.4 CCOCC(=O)O TS16814 [1,0,1,0,0,0|2,0,0]=4 208 B6R0.4 CCOCC(C)C TS03959 [1,0,1,0,0,0|1,0,1]=4 209 B6R0.4 CCSCC(=O)C TS32360 [1,0,1,0,0,0|1,1,0]=4 210 B6R0.3 CC(=O)N(C)OC TS56410 [1,0,1,0,0,0|2,0,0]=4 211 B6R0.3 CC(C(=O)C)SC TS32356 [1,0,1,0,0,0|1,1,0]=4 212 B6R0.3 CC(C(=O)OC)O TS31661 [1,0,1,0,0,0|2,0,0]=4 213 B6R0.3 CC(CO)C(=O)C TS03953 [1,0,1,0,0,0|2,0,0]=4 214 B6R0.3 CC=C(C)C(C)C TS03807 [1,0,1,0,0,0|1,0,1]=4 215 B6R0.3 CC=C(C)C(C)C TS31450 [1,0,1,0,0,0|1,0,1]=4 216 B6R0.3 CCC(=C)C(C)C TS03792 [1,0,1,0,0,0|1,0,1]=4 217 B6R0.3 CCC(=O)C(C)C TS31520 [1,0,1,0,0,0|2,0,0]=4 218 B6R0.3 CCC(C(=C)C)O TS31517 [1,0,1,0,0,0|2,0,0]=4 219 B6R0.3 CCC(C(=O)C)S TS32355 [1,0,1,0,0,0|2,0,0]=4 220 B6R0.3 CCC(C)C(=O)C TS31518 [1,0,1,0,0,0|1,0,0]=3 221 B6R0.3 CCC(C)C(=O)Cl TS04836 [1,0,1,0,0,0|2,0,0]=4 222 B6R0.3 CCC(C)C(=O)O TS03945 [1,0,1,0,0,0|2,0,0]=4 223 B6R0.3 CCC(C)C(C)C TS03882 [1,0,1,0,0,0|1,0,1]=4 224 B6R0.3 CCC(C)C(C)O TS03961 [1,0,1,0,0,0|0,0,1]=3 225 B6R0.3 CCC(C)N(C)C TS03924 [1,0,1,0,0,0|2,0,0]=4 226 B6R0.3 C[C@@H](C(=O)O)OC TS31663 [1,0,1,0,0,0|2,0,0]=4 227 B6R0.3 C[C@@H](C(=O)OC)O TS39673 [1,0,1,0,0,0|2,0,0]=4 228 B6R0.3 C[C@H](C(=O)N)OC TS31644 [1,0,1,0,0,0|1,0,1]=4 229 B6R0.3 C[C@H](C(=O)OC)O TS04018 [1,0,1,0,0,0|2,0,0]=4 230 B6R0.6 CCCCC=CC TS03803 [1,0,1,0,0,0|2,0,0]=4 231 B6R0.6 CCCCOCC TS03964 [1,0,1,0,0,0|1,0,1]=4 232 B6R0.6 CCOCCOC TS04027 [1,0,1,0,0,0|2,0,0]=4 233 B6R0.6 CCOCOCC TS74492 [1,0,1,0,0,0|1,0,1]=4 234 B6R1.2 C1CC(=NC1)N TS04838 [2,0,0,0,0,0|2,0,0]=4 235 B6R1.2 C1COCC1=O TS01440 [2,0,0,0,0,0|2,0,0]=4 236 B6R1.2 CC1=CCCC1 TS71683 [2,0,0,0,0,0|2,0,0]=4 237 B6R1.2 CC1=CCCO1 TS03492 [2,0,0,0,0,0|1,0,1]=4 238 B6R1.2 CC1=NCCC1 TS32917 [2,0,0,0,0,0|1,0,0]=3 239 B6R1.2 CC1=NCCO1 TS71733 [2,0,0,0,0,0|0,0,2]=4 240 B6R1.2 CC1=NCCS1 TS03913 [2,0,0,0,0,0|2,0,0]=4 241 B6R1.2 CC1CCCO1 TS71748 [2,0,0,0,0,0|1,0,1]=4 242 B6R1.2 CC1CCOC1 TS71755 [2,0,0,0,0,0|1,0,1]=4 243 B6R1.2 CC1COCO1 TS03579 [2,0,0,0,0,0|1,0,1]=4 244 B6R1.2 CC1OCCO1 TS03576 [2,0,0,0,0,0|1,0,1]=4 245 B8R0.5 CCCC(C)CC(C)O TS05587 [0,1,1,0,0,0|1,0,1]=4 246 B8R0.5 CCOC(=O)CC(C)O TS36658 [0,1,1,0,0,0|2,0,0]=4 247 B8R0.5 CCOC(=O)C[C@@H](C)O TS05718 [0,1,1,0,0,0|2,0,0]=4 248 B8R0.16 CCN(CC)CC(C)O TS36618 [0,1,1,0,0,0|2,0,0]=4 249 B8R0.19 CCC(C)C=C(C)CC TS36183 [0,1,1,0,0,0|2,0,0]=4 250 B8R0.19 CCC(C)CC(CC)O TS36539 [0,1,1,0,0,0|1,0,1]=4 251 B8R0.19 CCC(C)OC(C)CC TS36540 [0,1,1,0,0,0|1,0,1]=4 252 B8R0.23 CC(C(=O)C)OC(=O)C TS05530 [0,1,1,0,0,0|1,0,1]=4 253 B8R0.24 CCC(=CC(C)(C)C)C TS05221 [0,1,1,0,0,0|2,0,0]=4 254 B8R0.3 CCC(C(=O)OCC)O TS05723 [0,1,1,0,0,0|2,0,0]=4 255 B8R0.3 CCC=C(C)C(CC)O TS36335 [0,1,1,0,0,0|1,0,0]=3 256 B8R0.3 CCCC(C)C(=O)OC TS05547 [0,1,1,0,0,0|2,0,0]=4 257 B8R0.3 CCCC(C)C(CC)O TS36549 [0,1,1,0,0,0|1,0,1]=4 258 B8R0.3 CCOC(=O)[C@H](C)OC TS05726 [0,1,1,0,0,0|2,0,0]=4 259 B8R0.8 CC(C(=O)NCCO)O TS05811 [0,1,1,0,0,0|1,0,1]=4 260 B8R0.8 CCCCC(C)C(=O)C TS05385 [0,1,1,0,0,0|2,0,0]=4 261 B8R0.8 CCCCC(C)C(C)O TS05586 [0,1,1,0,0,0|1,0,1]=4 262 B8R0.8 CCCOC(=O)C(C)O TS05710 [0,1,1,0,0,0|2,0,0]=4 263 B8R0.8 CCCOC(=O)[C@H](C)O TS05734 [0,1,1,0,0,0|2,0,0]=4 264 B8R0.12 CCCC(C)(C)C(C)O TS36546 [0,1,1,0,0,0|1,0,1]=4 265 B8R0.14 CCCC(C)C(C)(C)O TS36543 [0,1,1,0,0,0|1,0,1]=4 266 B8R0.14 CCOC(=O)C(C)(C)O TS36659 [0,1,1,0,0,0|2,0,0]=4 267 B8R0.1 CCOCC(C)OCC TS05764 [0,1,1,0,0,0|1,0,1]=4 268 B8R0.22 CCC(OCC)OCC TS36694 [0,1,1,0,0,0|1,0,1]=4 269 B8R0.22 CCOC(CBr)OCC TS00843 [0,1,1,0,0,0|1,0,1]=4 270 B8R0.22 CCOC(CCl)OCC TS41218 [0,1,1,0,0,0|1,0,1]=4 271 B8R0.22 CCOC(CN)OCC TS34626 [0,1,1,0,0,0|1,0,1]=4 272 B8R0.22 CCOC(CO)OCC TS36827 [0,1,1,0,0,0|1,0,1]=4 273 B8R0.30 CCOC(C)(C)OCC TS05755 [0,1,1,0,0,0|1,0,1]=4 274 B8R1.1 CCC1=NC(CN1)C TS04327 [1,1,0,0,0,0|2,0,0]=4 275 B8R1.1 Cc1nc(no1)CN TS04378 [1,1,0,0,0,0|1,0,1]=4 276 B8R1.50 CC1CCC(=C1C)C TS31847 [1,1,0,0,0,0|2,0,0]=4 277 B8R1.51 CC1=NC(CO1)(C)C TS32009 [1,1,0,0,0,0|0,0,2]=4 278 B8R1.11 Cc1c(ocn1)CO TS03174 [1,1,0,0,0,0|0,0,2]=4 279 B10R1.8 CCC1OC(OC(O1)C)C TS07213 [0,1,0,0,0,1|1,0,1]=4 280 B10R1.329 CC1CC(N=C(O1)C)(C)C TS06613 [0,1,0,0,0,1|1,0,0]=3 281 B10R1.118 CC1C(=O)OC(C(=O)O1)C TS40149 [0,1,0,0,0,1|2,0,0]=4 282 B10R1.118 C[C@@H]1C(=O)O[C@@H](C(=O)O1)C TS40142 [0,1,0,0,0,1|2,0,0]=4 283 B10R1.118 C[C@H]1C(=O)O[C@H](C(=O)O1)C TS06924 [0,1,0,0,0,1|2,0,0]=4 284 B10R1.59 Cc1c(nc(o1)C)C(=O)C TS08136 [0,2,0,0,0,0|0,0,2]=4 285 B10R1.59 Cc1c(oc(n1)C)C(=O)C TS06376 [0,2,0,0,0,0|0,0,2]=4 286 B10R1.256 CC1C(=O)C(=C(O1)C)OC TS37564 [0,2,0,0,0,0|1,0,1]=4 287 B10R1.560 CC1(CC(=O)C(O1)(C)C)C TS39620 [0,2,0,0,0,0|2,0,0]=4 288 B8R1.4 CC1=CC(CCC1)O TS31949 [0,0,1,1,0,0|1,0,0]=3 289 B8R1.4 CC1CC(=O)CCO1 TS87534 [0,0,1,1,0,0|2,0,0]=4 290 B8R1.4 CC1CCCC(=C1)C TS48310 [0,0,1,1,0,0|2,0,0]=4 291 B8R1.4 CC1CCOC(O1)C TS32215 [0,0,1,1,0,0|1,0,1]=4 292 B8R1.4 CN1CCCC(C1)O TS32155 [0,0,1,1,0,0|2,0,0]=4 293 B8R1.4 CN1CCC[C@@H](C1)O TS90969 [0,0,1,1,0,0|2,0,0]=4 294 B8R1.4 CN1CCC[C@H](C1)O TS90931 [0,0,1,1,0,0|2,0,0]=4 295 B8R1.4 C[C@@H]1CC(=O)CCO1 TS91794 [0,0,1,1,0,0|2,0,0]=4 296 B8R1.4 C[C@H]1CC(=O)CCO1 TS86799 [0,0,1,1,0,0|2,0,0]=4 297 B8R1.5 C1CC(C(=O)NC1)O TS02789 [0,0,1,1,0,0|1,0,1]=4 298 B8R1.5 C1CCC(=O)C(C1)O TS32072 [0,0,1,1,0,0|2,0,0]=4 299 B8R1.5 CC1=NCCCN1C TS04326 [0,0,1,1,0,0|2,0,0]=4 300 B8R1.5 CC1CCCC=C1C TS31849 [0,0,1,1,0,0|2,0,0]=4 301 B8R1.5 CC1CCCCC1=C TS31851 [0,0,1,1,0,0|2,0,0]=4 302 B8R1.5 CC1CCCCC1=O TS01136 [0,0,1,1,0,0|2,0,0]=4 303 B8R1.5 CC1CCCCC1O TS32109 [0,0,1,1,0,0|1,0,1]=4 304 B8R1.5 C[C@@H]1CCCC[C@H]1O TS32106 [0,0,1,1,0,0|1,0,1]=4 305 B8R1.5 C[C@H]1CCCC[C@H]1O TS32115 [0,0,1,1,0,0|1,0,1]=4 306 B8R1.7 C1CC(OC1)C(=O)O TS65650 [0,0,1,1,0,0|2,0,0]=4 307 B8R1.7 C1C[C@@H](OC1)C(=O)O TS46582 [0,0,1,1,0,0|2,0,0]=4 308 B8R1.7 C1C[C@H](OC1)C(=O)O TS08647 [0,0,1,1,0,0|2,0,0]=4 309 B8R1.7 CC(=O)C1CCCC1 TS46943 [0,0,1,1,0,0|2,0,0]=4 310 B8R1.7 CC(=O)C1CCCC1 TS52586 [0,0,1,1,0,0|2,0,0]=4 311 B8R1.7 CC(C)C1=CCCC1 TS31848 [0,0,1,1,0,0|2,0,0]=4 312 B8R1.7 CC(C1=NCCN1)O TS32075 [0,0,1,1,0,0|1,0,0]=3 313 B8R1.7 CC(C1CCCC1)O TS04475 [0,0,1,1,0,0|1,0,1]=4 314 B8R1.37 CCOC(=O)C1CO1 TS01910 [0,0,1,1,0,0|2,0,0]=4 315 B8R1.37 CCOC(=O)[C@H]1CO1 TS32189 [0,0,1,1,0,0|2,0,0]=4 316 B8R1.8 CCOC1CCCO1 TS04591 [0,0,1,1,0,0|1,0,1]=4 317 B8R1.8 CCO[C@@H]1CCNC1 TS85740 [0,0,1,1,0,0|2,0,0]=4 318 B8R1.8 CCO[C@H]1CCNC1 TS90259 [0,0,1,1,0,0|2,0,0]=4 319 B8R1.8 CNCC1CCCO1 TS32151 [0,0,1,1,0,0|2,0,0]=4 320 B8R1.8 COCC1CCCO1 TS04584 [0,0,1,1,0,0|2,0,0]=4 321 B8R1.22 CC1OCCCCO1 TS32214 [0,0,1,1,0,0|1,0,1]=4 322 B8R2.34 C1CC2CC1C=C2 TS03681 [1,0,0,1,0,0|2,0,0]=4 323 B8R2.34 C1CC2CCC1O2 TS31431 [1,0,0,1,0,0|1,0,1]=4 324 B10R2.71 C1CC2CC(=O)CC1O2 TS92514 [0,0,0,1,0,1|2,0,0]=4 325 B10R2.2 Cc1nc2c(o1)CNC2 TS32611 [0,1,0,1,0,0|0,0,2]=4 326 B6R1.5 CC1CC(=O)N1 TS71735 [1,0,0,0,1,0|1,0,1]=4 327 B8R0.9 CCC(C)CCC(C)O TS36529 [0,0,1,0,0,1|1,0,1]=4