0 B9R1.37 C1(=C(C(=O)OC1=O)Br)Br TS67787 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.37 C1(=C(C(=O)OC1=O)Cl)Cl TS09043 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.37 CC1=C(C(=C(C1)C)C)C TS04927 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.37 CC1=C(C(=O)OC1=O)C TS22983 [0,0,0,0,0,0|2,0,1]=3 4 B9R1.37 CC1=C(C(C(=O)O1)O)O TS36452 [0,0,0,0,0,0|1,0,2]=3 5 B9R1.37 CC1C(=C(C(=O)O1)O)C TS36275 [0,0,0,0,0,0|0,0,0]=0 6 B9R1.37 CC1C(=O)C(=C(O1)C)O TS36276 [0,0,0,0,0,0|2,0,0]=2 7 B9R1.37 Cc1c(c([nH]c1C)C)C TS32586 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.37 Cc1c(c(n(n1)C)C)Br TS22718 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.37 Cc1c(c(n(n1)C)C)I TS25827 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.37 Cc1c(c(sc1C)C)C TS37430 [0,0,0,0,0,0|2,1,1]=4 11 B9R1.37 Cc1c(sc(c1I)C)C TS63084 [0,0,0,0,0,0|2,1,1]=4 12 B8R1.18 C1=C(C(=O)OC1=O)Br TS46214 [1,0,0,0,0,0|2,0,1]=4 13 B8R1.18 C1=C(C(=O)OC1=O)Cl TS36728 [1,0,0,0,0,0|2,0,1]=4 14 B8R1.18 CC1=CC(=O)OC1=O TS22789 [1,0,0,0,0,0|1,0,1]=3 15 B8R1.18 CC1=CC(=O)OC1O TS32042 [1,0,0,0,0,0|1,0,0]=2 16 B8R1.18 CC1C(=NC(O1)C)C TS32019 [1,0,0,0,0,0|2,0,1]=4 17 B8R1.18 CC1C(=O)C=C(O1)C TS31920 [1,0,0,0,0,0|2,0,0]=3 18 B8R1.18 CC1C(=O)NC(=O)N1 TS32050 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.18 CC1CC(=C)C(=O)O1 TS31903 [1,0,0,0,0,0|1,0,1]=3 20 B8R1.18 CC1CC(=O)CC1C TS31939 [1,0,0,0,0,0|1,0,2]=4 21 B8R1.18 CC1CC(=O)OC1=O TS32036 [1,0,0,0,0,0|3,0,0]=4 22 B8R1.18 CC1CC(C(=O)O1)Br TS47655 [1,0,0,0,0,0|1,0,2]=4 23 B8R1.18 C[C@@H]1CC(=O)C[C@@H]1C TS04316 [1,0,0,0,0,0|1,0,2]=4 24 B8R1.18 C[C@H]1C(=O)OC(=O)N1 TS04514 [1,0,0,0,0,0|3,0,0]=4 25 B8R1.18 Cc1c([nH]c(=O)[nH]1)C TS04294 [1,0,0,0,0,0|2,0,1]=4 26 B8R1.18 Cc1c(oc(=O)o1)C TS60038 [1,0,0,0,0,0|1,0,1]=3 27 B8R1.18 Cc1c(oc(n1)C)C TS00589 [1,0,0,0,0,0|2,0,1]=4 28 B8R1.18 Cc1cc(c(o1)C)S TS36314 [1,0,0,0,0,0|1,1,1]=4 29 B8R1.18 Cc1cc(n(n1)C)C TS00358 [1,0,0,0,0,0|3,0,0]=4 30 B8R1.18 Cc1cc(nn1C)Br TS13617 [1,0,0,0,0,0|3,0,0]=4 31 B8R1.18 Cc1cc(nn1C)N TS31883 [1,0,0,0,0,0|3,0,0]=4 32 B8R1.18 Cc1cc(sc1C)C TS36170 [1,0,0,0,0,0|1,1,1]=4 33 B8R1.50 C1C(=O)C(C(=O)O1)Cl TS05937 [1,0,0,0,0,0|2,0,1]=4 34 B8R1.50 C1CC(=O)N(C1=O)O TS39608 [1,0,0,0,0,0|3,0,0]=4 35 B8R1.50 C1[C@H]([C@H](C(=O)O1)O)O TS04694 [1,0,0,0,0,0|1,0,2]=4 36 B8R1.50 CC1=C(C(=O)CC1)Br TS13616 [1,0,0,0,0,0|2,0,0]=3 37 B8R1.50 CC1CCC(=C1C)C TS31847 [1,0,0,0,0,0|2,0,1]=4 38 B8R1.50 Cc1c(c(on1)C)Br TS39325 [1,0,0,0,0,0|3,0,0]=4 39 B8R1.50 Cc1c(c(on1)C)I TS65803 [1,0,0,0,0,0|3,0,0]=4 40 B8R1.50 Cc1c(c(on1)C)N TS04295 [1,0,0,0,0,0|3,0,0]=4 41 B8R1.50 Cc1c(c(on1)N)Cl TS36730 [1,0,0,0,0,0|3,0,0]=4 42 B8R1.50 Cc1c(noc1N)C TS04297 [1,0,0,0,0,0|3,0,0]=4 43 B8R1.50 Cc1c(onc1Br)C TS46035 [1,0,0,0,0,0|2,0,1]=4 44 B8R1.50 Cc1c(onc1N)C TS65850 [1,0,0,0,0,0|2,0,1]=4 45 B10R1.34 C([C@@H]1[C@@H]([C@H](C(=O)O1)O)O)O TS40592 [0,1,0,0,0,0|1,0,2]=4 46 B10R1.34 C([C@@H]1[C@@H]([C@H](C(=O)O1)O)O)O TS94906 [0,1,0,0,0,0|1,0,2]=4 47 B10R1.34 CCC1=C(C(=O)C(O1)C)O TS37555 [0,1,0,0,0,0|2,0,0]=3 48 B10R1.34 CCC1=C(C(C(=O)O1)O)C TS37562 [0,1,0,0,0,0|0,0,2]=3 49 B10R1.34 CCC1C(=O)C(=C(O1)C)O TS06659 [0,1,0,0,0,0|2,0,0]=3 50 B10R1.191 CC1C(=C(C(=C1C)C)C)C TS06127 [0,1,0,0,0,0|3,0,0]=4 51 B10R1.256 CC1C(=O)C(=C(O1)C)OC TS37564 [0,1,0,0,0,0|2,0,0]=3 52 B10R1.256 Cc1c(oc(c1C#N)N)C TS06054 [0,1,0,0,0,0|2,0,1]=4 53 B10R1.271 CC1(C(=O)N(C(=O)O1)C)C TS06835 [0,1,0,0,0,0|3,0,0]=4 54 B8R0.2 CCC(C)C(=O)C(=O)O TS05535 [0,0,1,0,0,0|0,0,2]=3 55 B8R0.2 CCC(C)C(=O)C(=O)[O-] TS41092 [0,0,1,0,0,0|0,0,3]=4 56 B8R0.2 CCC(C)C(=O)C(=O)[O-] TS56035 [0,0,1,0,0,0|0,0,3]=4 57 B8R0.2 CCC(C)C(C(=O)O)Br TS51945 [0,0,1,0,0,0|1,0,2]=4 58 B8R0.2 CCC(C)C(C(=O)O)N TS05653 [0,0,1,0,0,0|1,0,2]=4 59 B8R0.2 CCC(C)C(C(=O)O)N TS36597 [0,0,1,0,0,0|1,0,2]=4 60 B8R0.2 CC[C@@H](C)[C@@H](C(=O)O)N TS05657 [0,0,1,0,0,0|1,0,2]=4 61 B8R0.2 CC[C@@H](C)[C@H](C(=O)O)N TS36608 [0,0,1,0,0,0|1,0,2]=4 62 B8R0.2 CC[C@H](C)C(=O)C(=O)[O-] TS56033 [0,0,1,0,0,0|0,0,3]=4 63 B8R0.2 CC[C@H](C)[C@@H](C(=O)O)Cl TS09971 [0,0,1,0,0,0|1,0,2]=4 64 B8R0.2 CC[C@H](C)[C@@H](C(=O)O)N TS09198 [0,0,1,0,0,0|1,0,2]=4 65 B8R0.2 CC[C@H](C)[C@H](C(=O)O)N TS01766 [0,0,1,0,0,0|1,0,2]=4 66 B8R0.2 C[C@@H]([C@@H]([C@H](C=O)O)O)O TS05875 [0,0,1,0,0,0|1,0,2]=4 67 B8R0.2 C[C@H]([C@H]([C@@H](C=O)O)O)O TS05872 [0,0,1,0,0,0|1,0,2]=4 68 B8R0.2 C[C@H]([C@H]([C@H](C=O)O)O)O TS03289 [0,0,1,0,0,0|1,0,2]=4 69 B8R0.3 CCC(C(=O)OCC)Br TS51943 [0,0,1,0,0,0|1,0,2]=4 70 B8R0.3 CCC(C(=O)OCC)N TS05659 [0,0,1,0,0,0|1,0,2]=4 71 B8R0.3 CCC(C(=O)OCC)O TS05723 [0,0,1,0,0,0|0,0,2]=3 72 B8R0.3 CCC(C)C(=O)OCC TS36496 [0,0,1,0,0,0|1,0,2]=4 73 B8R0.3 CCOC(=O)C(=C)C#N TS05068 [0,0,1,0,0,0|2,0,1]=4 74 B8R0.3 CCOC(=O)C(=C)CBr TS00209 [0,0,1,0,0,0|2,0,1]=4 75 B8R0.3 CCOC(=O)C(=C)CCl TS40705 [0,0,1,0,0,0|2,0,1]=4 76 B8R0.3 CCOC(=O)C(=C)CO TS08483 [0,0,1,0,0,0|2,0,1]=4 77 B8R0.3 CCOC(=O)C(=CC)C TS05350 [0,0,1,0,0,0|1,0,0]=2 78 B8R0.3 CCOC(=O)C(=NO)Cl TS55909 [0,0,1,0,0,0|3,0,0]=4 79 B8R0.3 CCOC(=O)C(=O)CBr TS56142 [0,0,1,0,0,0|1,0,2]=4 80 B8R0.3 CCOC(=O)C(C#C)O TS36268 [0,0,1,0,0,0|0,0,3]=4 81 B8R0.3 CCOC(=O)[C@H](C)OC TS05726 [0,0,1,0,0,0|2,0,1]=4 82 B8R1.25 c1(c(c(=O)c1=O)O)O TS16630 [0,0,0,0,1,0|2,0,1]=4 83 B10R1.22 Cc1c([nH]c(=O)[nH]c1=O)C TS32650 [0,0,0,0,0,1|1,0,2]=4 84 B10R1.22 Cc1c(c(=O)[nH]c(n1)C)I TS62786 [0,0,0,0,0,1|2,0,1]=4 85 B10R1.22 Cc1c(nc(nc1O)N)C TS37286 [0,0,0,0,0,1|2,0,1]=4 86 B10R1.22 Cc1c(oc(=O)cc1O)C TS22853 [0,0,0,0,0,1|0,0,1]=2 87 B10R1.22 Cc1cc(c(c(c1)Br)O)C TS38048 [0,0,0,0,0,1|2,0,1]=4 88 B10R1.22 Cc1cc(c(c(c1)I)O)C TS62515 [0,0,0,0,0,1|2,0,1]=4 89 B10R1.22 Cc1cc(c(c(c1)N)O)C TS37122 [0,0,0,0,0,1|2,0,1]=4 90 B10R1.22 Cc1cc(c(c(c1)O)C)C TS06087 [0,0,0,0,0,1|2,0,1]=4 91 B10R1.22 Cc1cc(cc(c1C)O)O TS06246 [0,0,0,0,0,1|1,0,2]=4 92 B10R1.22 Cc1cc(nc(c1C)O)O TS06372 [0,0,0,0,0,1|1,0,2]=4 93 B10R1.118 CC1C(=O)OC(C(=O)O1)C TS40149 [0,0,0,0,0,1|2,0,1]=4 94 B10R1.118 C[C@@H]1C(=O)O[C@@H](C(=O)O1)C TS40142 [0,0,0,0,0,1|2,0,1]=4 95 B10R1.118 C[C@H]1C(=O)O[C@H](C(=O)O1)C TS06924 [0,0,0,0,0,1|2,0,1]=4 96 B10R1.118 Cc1cc(c(cc1C)Cl)O TS41714 [0,0,0,0,0,1|2,0,1]=4 97 B10R1.118 Cc1cc(c(cc1C)I)O TS62516 [0,0,0,0,0,1|2,0,1]=4 98 B10R1.118 Cc1cc(c(cc1C)O)C TS06097 [0,0,0,0,0,1|2,0,1]=4 99 B10R1.119 Cc1c(c(=O)ccn1C)O TS06373 [0,0,0,0,0,1|2,0,0]=3 100 B10R1.119 Cc1ccc(c(c1C)O)C TS06083 [0,0,0,0,0,1|2,0,1]=4 101 B7R0.2 CC(=CC(=O)C)NC TS04388 [1,0,1,0,0,0|2,0,0]=4 102 B7R0.2 CC(C)NC(=O)C=C TS32016 [1,0,1,0,0,0|2,0,0]=4 103 B7R0.2 CC(C)OC(=O)C=C TS32061 [1,0,1,0,0,0|1,0,0]=3 104 B7R0.2 CC(C)OC(=O)CCl TS37073 [1,0,1,0,0,0|1,0,1]=4 105 B7R0.2 CC(C)OC(=O)CN TS41311 [1,0,1,0,0,0|1,0,1]=4 106 B7R0.2 CC(C)OC(=O)CO TS32323 [1,0,1,0,0,0|0,0,1]=3 107 B7R0.2 CC(C)OC(=O)CS TS05924 [1,0,1,0,0,0|0,1,1]=4 108 B7R0.2 CCC(C)CC(=O)O TS04597 [1,0,1,0,0,0|0,0,2]=4 109 B7R0.2 CCC(C)OC(=O)C TS32210 [1,0,1,0,0,0|0,0,2]=4 110 B7R0.2 CCC(C)OC(=O)Cl TS06133 [1,0,1,0,0,0|1,0,1]=4 111 B7R0.2 CC[C@@H](C)CC(=O)O TS04583 [1,0,1,0,0,0|0,0,2]=4 112 B7R0.2 CC[C@H](C)CC(=O)O TS04594 [1,0,1,0,0,0|0,0,2]=4 113 B7R0.5 CC(C(=O)O)NC=O TS32276 [1,0,1,0,0,0|2,0,0]=4 114 B7R0.5 CCC=C(C)C(=O)O TS04448 [1,0,1,0,0,0|1,0,0]=3 115 B7R0.5 CCC=C(C)C(C)O TS04482 [1,0,1,0,0,0|1,0,1]=4 116 B7R0.5 CCCC(=O)C(=O)C TS32062 [1,0,1,0,0,0|1,0,1]=4 117 B7R0.5 CCCC(=O)C(=O)O TS32183 [1,0,1,0,0,0|0,0,2]=4 118 B7R0.5 CCNC(=O)C(=C)C TS04389 [1,0,1,0,0,0|2,0,0]=4 119 B7R0.5 CCOC(=O)C(=C)Br TS47658 [1,0,1,0,0,0|1,0,0]=3 120 B7R0.5 CCOC(=O)C(=C)C TS00098 [1,0,1,0,0,0|1,0,0]=3 121 B7R0.5 CCOC(=O)C(=O)C TS01478 [1,0,1,0,0,0|0,0,1]=3 122 B7R0.5 CCOC(=O)C(=O)Cl TS01473 [1,0,1,0,0,0|1,0,1]=4 123 B7R0.5 CCOC(=O)C(=O)N TS32272 [1,0,1,0,0,0|1,0,1]=4 124 B7R0.5 CCOC(=O)C(C)Br TS55906 [1,0,1,0,0,0|1,0,1]=4 125 B7R0.5 CCOC(=O)C(C)C TS32217 [1,0,1,0,0,0|1,0,1]=4 126 B7R0.5 CCOC(=O)C(C)Cl TS55916 [1,0,1,0,0,0|1,0,1]=4 127 B7R0.5 CCOC(=O)C(C)F TS32420 [1,0,1,0,0,0|1,0,1]=4 128 B7R0.5 CCOC(=O)C(C)N TS55877 [1,0,1,0,0,0|1,0,1]=4 129 B7R0.5 CCOC(=O)C(C)O TS04714 [1,0,1,0,0,0|0,0,1]=3 130 B7R0.5 CCOC(=O)C(C)S TS05920 [1,0,1,0,0,0|0,1,1]=4 131 B7R0.5 CCOC(=O)[C@@H](C)N TS41313 [1,0,1,0,0,0|1,0,1]=4 132 B7R0.5 CCOC(=O)[C@@H](C)O TS08773 [1,0,1,0,0,0|0,0,1]=3 133 B7R0.5 CCOC(=O)[C@H](C)Cl TS06132 [1,0,1,0,0,0|1,0,1]=4 134 B7R0.5 CCOC(=O)[C@H](C)N TS02287 [1,0,1,0,0,0|1,0,1]=4 135 B7R0.5 CCOC(=O)[C@H](C)O TS04715 [1,0,1,0,0,0|0,0,1]=3 136 B7R0.5 C[C@@H](C(=O)O)NC=O TS32273 [1,0,1,0,0,0|2,0,0]=4 137 B7R0.10 CC=C(C(=O)OC)Br TS47656 [1,0,1,0,0,0|1,0,0]=3 138 B7R0.10 CC=C(C)C(=O)OC TS32064 [1,0,1,0,0,0|1,0,0]=3 139 B7R0.10 CC=C(C)C(=O)OC TS32066 [1,0,1,0,0,0|1,0,0]=3 140 B7R0.10 CCC(C(=O)CC)O TS32221 [1,0,1,0,0,0|0,0,2]=4 141 B7R0.10 COC(=O)C(=O)OC TS39853 [1,0,1,0,0,0|1,0,1]=4 142 B7R0.10 COC(=O)C(C=C)O TS32185 [1,0,1,0,0,0|0,0,2]=4 143 B7R0.10 COC(C(=O)OC)O TS01782 [1,0,1,0,0,0|1,0,1]=4 144 B7R0.16 CC(C(C(=O)O)N)O TS32381 [1,0,1,0,0,0|1,0,1]=4 145 B7R0.16 CC(C)C(C(=O)O)O TS04712 [1,0,1,0,0,0|0,0,2]=4 146 B7R0.16 CC(C)C(C)C(=O)O TS32220 [1,0,1,0,0,0|1,0,1]=4 147 B7R0.16 CC(C)[C@@H](C(=O)O)O TS32326 [1,0,1,0,0,0|0,0,2]=4 148 B7R0.16 C[C@@H]([C@@H](C(=O)O)N)O TS32386 [1,0,1,0,0,0|1,0,1]=4 149 B7R0.16 C[C@@H]([C@H](C(=O)O)N)O TS39862 [1,0,1,0,0,0|1,0,1]=4 150 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O TS74521 [1,0,1,0,0,0|1,0,1]=4 151 B7R0.3 C=CCOC(=O)C=C TS31905 [1,0,1,0,0,0|1,0,1]=4 152 B7R0.3 CCCOC(=O)C=C TS04429 [1,0,1,0,0,0|1,0,1]=4 153 B7R0.3 CCOC=C(C)C=O TS04427 [1,0,1,0,0,0|2,0,0]=4 154 B7R0.7 CC=CC(=O)OC=C TS31901 [1,0,1,0,0,0|0,0,2]=4 155 B7R0.7 CCCC(=O)OCC TS32219 [1,0,1,0,0,0|0,0,2]=4 156 B7R0.7 CCNC(=O)OCC TS04671 [1,0,1,0,0,0|1,0,1]=4 157 B7R0.7 CCOC(=O)C#CC TS08727 [1,0,1,0,0,0|0,0,2]=4 158 B7R0.7 CCOC(=O)C=CC TS04436 [1,0,1,0,0,0|0,0,0]=2 159 B7R0.7 CCOC(=O)C=CI TS52258 [1,0,1,0,0,0|1,0,0]=3 160 B7R0.7 CCOC(=O)C=[N+]=[N-] TS77133 [1,0,1,0,0,0|2,0,0]=4 161 B7R0.7 CCOC(=O)CC=C TS04444 [1,0,1,0,0,0|0,0,2]=4 162 B7R0.7 CCOC(=O)CNC TS01479 [1,0,1,0,0,0|1,0,1]=4 163 B7R0.7 CCOC(=O)COC TS32327 [1,0,1,0,0,0|1,0,1]=4 164 B7R0.7 CCOC(=O)CSC TS05917 [1,0,1,0,0,0|1,0,1]=4 165 B7R0.7 CCOC(=O)NOC TS32378 [1,0,1,0,0,0|2,0,0]=4 166 B7R0.7 CCOC(=O)OCC TS32315 [1,0,1,0,0,0|1,0,1]=4 167 B7R1.2 C1=CC(=O)OC1=O TS03751 [2,0,0,0,0,0|1,0,1]=4 168 B7R1.2 C1C(=O)NC(=O)O1 TS31533 [2,0,0,0,0,0|2,0,0]=4 169 B7R1.2 C1[C@H](C=CC1=O)O TS03770 [2,0,0,0,0,0|2,0,0]=4 170 B7R1.2 CC1=CC(=O)CC1 TS60019 [2,0,0,0,0,0|1,0,0]=3 171 B7R1.2 CC1=CC(=O)OC1 TS03763 [2,0,0,0,0,0|0,0,0]=2 172 B7R1.2 CC1=CCC(=O)O1 TS03764 [2,0,0,0,0,0|0,0,2]=4 173 B7R1.2 CC1=NOC(=O)C1 TS15601 [2,0,0,0,0,0|1,0,1]=4 174 B7R1.2 CC1COC(=O)O1 TS08062 [2,0,0,0,0,0|1,0,1]=4 175 B7R1.2 CC1COC(=O)O1 TS93060 [2,0,0,0,0,0|1,0,1]=4 176 B7R1.2 C[C@@H]1CCC(=O)O1 TS31495 [2,0,0,0,0,0|0,0,2]=4 177 B7R1.2 C[C@@H]1COC(=O)N1 TS31548 [2,0,0,0,0,0|1,0,1]=4 178 B7R1.2 C[C@H]1COC(=O)N1 TS31534 [2,0,0,0,0,0|1,0,1]=4 179 B7R1.2 C[C@H]1COC(=O)O1 TS94519 [2,0,0,0,0,0|1,0,1]=4 180 B7R1.2 Cc1cc(no1)O TS31468 [2,0,0,0,0,0|1,0,1]=4 181 B7R1.2 Cc1cc(on1)C TS08855 [2,0,0,0,0,0|2,0,0]=4 182 B7R1.2 Cc1cc(on1)N TS02058 [2,0,0,0,0,0|2,0,0]=4 183 B7R1.2 Cc1ccc(o1)C TS31370 [2,0,0,0,0,0|1,0,1]=4 184 B7R1.4 C1CC(=O)C(=C1)Br TS11349 [2,0,0,0,0,0|2,0,0]=4 185 B7R1.4 C1COC(=O)C1O TS70622 [2,0,0,0,0,0|0,0,2]=4 186 B7R1.4 C=C1CCOC1=O TS46473 [2,0,0,0,0,0|1,0,1]=4 187 B7R1.4 CC1=CCCC1=O TS31367 [2,0,0,0,0,0|2,0,0]=4 188 B7R1.4 CC1=CCOC1=O TS03756 [2,0,0,0,0,0|1,0,0]=3 189 B7R1.4 CC1CCC=C1C TS31386 [2,0,0,0,0,0|1,0,1]=4 190 B7R1.4 Cc1c(cco1)S TS32089 [2,0,0,0,0,0|1,0,1]=4 191 B7R1.4 Cc1c(cco1)S TS41631 [2,0,0,0,0,0|1,0,1]=4 192 B7R1.4 Cc1c(ocn1)C TS31395 [2,0,0,0,0,0|1,0,1]=4 193 B7R1.4 Cc1ccnn1C TS46819 [2,0,0,0,0,0|2,0,0]=4 194 B7R1.4 Cc1ccoc1C TS31373 [2,0,0,0,0,0|0,0,1]=3 195 B7R1.4 Cc1ccsc1C TS04331 [2,0,0,0,0,0|0,1,1]=4 196 B9R0.8 CC=C(C)C(=O)OCC=C TS06474 [0,1,1,0,0,0|1,0,1]=4 197 B9R0.8 CCCOC(=O)C(=CC)C TS06700 [0,1,1,0,0,0|1,0,0]=3 198 B9R0.23 CC=C(C)C(=O)OC(C)C TS06716 [0,1,1,0,0,0|1,0,0]=3 199 B9R0.35 CCC=C(C)C(=O)OCC TS37603 [0,1,1,0,0,0|1,0,0]=3 200 B9R0.35 CCCC(=O)C(=O)OCC TS85095 [0,1,1,0,0,0|0,0,2]=4 201 B9R0.35 CCCC(C(=O)OCC)O TS40414 [0,1,1,0,0,0|0,0,2]=4 202 B9R0.35 CCOC(=O)C(=O)OCC TS01436 [0,1,1,0,0,0|0,0,2]=4 203 B9R0.35 CCOC(=O)C(C)C=CC TS37595 [0,1,1,0,0,0|1,0,1]=4 204 B9R0.35 CCOC(C(=O)OCC)O TS07404 [0,1,1,0,0,0|0,0,2]=4 205 B9R0.37 CCOC(=O)C(=NO)C#N TS32705 [0,1,1,0,0,0|1,0,1]=4 206 B9R0.34 CCC(C)OC(=O)C=CC TS37594 [0,1,1,0,0,0|1,0,1]=4 207 B9R0.42 CCC(C)OC(=O)C(=C)C TS06702 [0,1,1,0,0,0|1,0,1]=4 208 B9R1.22 Cc1c(oc(=O)o1)CBr TS17596 [1,1,0,0,0,0|1,0,1]=4 209 B9R1.22 Cc1c(oc(=O)o1)CCl TS71084 [1,1,0,0,0,0|1,0,1]=4 210 B9R1.22 Cc1cc(c(o1)C)CN TS36058 [1,1,0,0,0,0|1,0,1]=4 211 B9R1.23 Cc1cc(oc1C)C=O TS32597 [1,1,0,0,0,0|0,0,1]=3 212 B9R1.38 CC1(C(=O)NC(=O)O1)C TS36393 [1,1,0,0,0,0|2,0,0]=4 213 B9R1.38 CC1=CC(=CC1(C)[Zr+3])C TS75776 [1,1,0,0,0,0|2,0,0]=4 214 B9R1.27 CCC1=C(CNC1=O)C TS16736 [1,1,0,0,0,0|2,0,0]=4 215 B9R1.132 CCC1=C(C(=O)CC1)O TS05152 [1,1,0,0,0,0|1,0,0]=3 216 B9R1.138 CC1(COC(=O)C1=O)C TS36274 [1,1,0,0,0,0|0,0,2]=4 217 B9R1.138 CC1(COC(=O)C1O)C TS36471 [1,1,0,0,0,0|0,0,2]=4 218 B9R1.138 CC1(COC(=O)[C@@H]1O)C TS05534 [1,1,0,0,0,0|0,0,2]=4 219 B9R1.138 CC1(COC(=O)[C@H]1O)C TS46639 [1,1,0,0,0,0|0,0,2]=4 220 B11R1.1361 CC1=C(OC(OC1=O)(C)C)C TS10675 [0,1,0,0,0,1|1,0,0]=3 221 B11R1.426 CC1=C(C(=O)OC1(C)C)C#N TS41009 [0,2,0,0,0,0|1,0,0]=3 222 B11R1.673 C1(C(=C(C(=O)O1)Cl)C(Cl)Cl)O TS00140 [0,2,0,0,0,0|2,0,0]=4 223 B9R1.41 C1CC(=C(C1)N)C(=O)O TS36222 [0,0,1,1,0,0|2,0,0]=4 224 B9R1.41 Cc1c(ocn1)C(=O)O TS03173 [0,0,1,1,0,0|1,0,1]=4 225 B9R1.41 Cc1ccoc1C(=O)O TS70657 [0,0,1,1,0,0|0,0,2]=4 226 B9R1.41 Cc1cnoc1C(=O)O TS03172 [0,0,1,1,0,0|1,0,1]=4 227 B9R1.15 CC=C1CCCCC1=O TS36005 [0,0,1,1,0,0|2,0,0]=4 228 B9R1.183 CCOC(=O)[C@@H]1[C@@H](O1)C TS05523 [0,0,1,1,0,0|0,0,2]=4 229 B9R1.34 CC1CC(=CC(=O)C1)C TS36008 [1,0,0,0,0,1|1,0,0]=3 230 B9R1.34 CC1CC(=CC(=O)O1)O TS36271 [1,0,0,0,0,1|0,0,1]=3 231 B9R1.34 Cc1cc(=O)cc(o1)C TS08800 [1,0,0,0,0,1|1,0,1]=4 232 B9R1.34 Cc1cc([nH]c(=O)c1)O TS91354 [1,0,0,0,0,1|1,0,1]=4 233 B9R1.34 Cc1cc(cc(=O)[nH]1)O TS05069 [1,0,0,0,0,1|1,0,1]=4 234 B9R1.34 Cc1cc(cc(=O)o1)O TS71159 [1,0,0,0,0,1|0,0,1]=3 235 B9R1.34 Cc1cc(oc(=O)c1)C TS32596 [1,0,0,0,0,1|0,0,1]=3