0 B8R0.23 C=C(CC(C)C)C(C)=O SC-A2921 [0,0,0,0,0,0|1,0,0]=1 1 B8R0.23 CC(C)CC(Br)C(=O)O SC-A4035 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.23 CC(C)CC(N)C(=O)O SC-09638 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.23 CC(C)CC(N)C(=O)O SC-09639 [0,0,0,0,0,0|2,0,1]=3 4 B8R0.23 CC(C)C[C@@H](N)C(=O)O SC-09637 [0,0,0,0,0,0|2,0,1]=3 5 B8R0.23 CC(C)C[C@@H](O)C(=O)O SC-13459 [0,0,0,0,0,0|1,0,2]=3 6 B8R0.23 CC(C)C[C@H](N)C(N)=O SC-09656 [0,0,0,0,0,0|2,0,1]=3 7 B8R0.23 CC(C)OC(=O)C(C)N SC-24251 [0,0,0,0,0,0|2,0,1]=3 8 B8R0.23 CC(C)OC(=O)[C@H](C)N SC-70925 [0,0,0,0,0,0|2,0,1]=3 9 B7R0.2 C=CC(=O)NC(C)C SC-47047 [1,0,0,0,0,0|1,0,1]=3 10 B7R0.2 CC(C)NC(=O)CBr SC-02491 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.2 COC(=O)CC(C)Br SC-67097 [1,0,0,0,0,0|2,0,0]=3 12 B7R0.2 COC(=O)C[C@@H](C)N SC-88822 [1,0,0,0,0,0|2,0,0]=3 13 B7R0.2 COC(=O)C[C@@H](C)N SC-A1096 [1,0,0,0,0,0|2,0,0]=3 14 B7R0.2 C\C(C=O)=C/N(C)C SC-93331 [1,0,0,0,0,0|2,0,1]=4 15 B7R0.5 CCCC(Br)C(=O)O SC-27020 [1,0,0,0,0,0|2,0,1]=4 16 B7R0.5 CCC[C@H](N)C(=O)O SC-06139 [1,0,0,0,0,0|2,0,1]=4 17 B7R0.5 CCNC(=O)[C@H](C)O SC-12514 [1,0,0,0,0,0|1,0,2]=4 18 B7R0.5 CCOC(=O)C(=N)N SC-32236 [1,0,0,0,0,0|3,0,0]=4 19 B7R0.5 CCOC(=O)C(=O)Cl SC-26882 [1,0,0,0,0,0|2,0,0]=3 20 B7R0.5 CCOC(=O)C(=O)O SC-26569 [1,0,0,0,0,0|2,0,0]=3 21 B7R0.5 CCOC(=O)C(=O)[O-] SC-73549 [1,0,0,0,0,0|2,0,0]=3 22 B7R0.5 CCOC(=O)C(C)=O SC-15232 [1,0,0,0,0,0|1,0,0]=2 23 B7R0.5 CCOC(=O)C(C)Br SC-27136 [1,0,0,0,0,0|2,0,1]=4 24 B7R0.5 CCOC(=O)C(C)Cl SC-13657 [1,0,0,0,0,0|2,0,1]=4 25 B7R0.5 CCOC(=O)C(C)F SC-75945 [1,0,0,0,0,0|2,0,1]=4 26 B7R0.5 CCOC(=O)C(C)N SC-09294 [1,0,0,0,0,0|2,0,1]=4 27 B7R0.5 CCOC(=O)C(C)N SC-13100 [1,0,0,0,0,0|2,0,1]=4 28 B7R0.5 CCOC(=O)C(C)N SC-15274 [1,0,0,0,0,0|2,0,1]=4 29 B7R0.5 CCOC(=O)C(N)=S SC-23134 [1,0,0,0,0,0|2,1,0]=4 30 B7R0.5 CCOC(=O)N(C)C SC-88157 [1,0,0,0,0,0|3,0,0]=4 31 B7R0.5 CCOC(=O)[C@@H](C)O SC-15791 [1,0,0,0,0,0|1,0,2]=4 32 B7R0.5 CNCC(=O)N(C)C SC-A2871 [1,0,0,0,0,0|3,0,0]=4 33 B7R0.6 CC(=O)OCC(C)C SC-25600 [1,0,0,0,0,0|1,0,0]=2 34 B7R0.6 CC(=O)\C=C\N(C)C SC-92543 [1,0,0,0,0,0|1,0,1]=3 35 B7R0.6 CC(C)CCC(=O)O SC-57917 [1,0,0,0,0,0|1,0,1]=3 36 B7R0.6 CC(C)CC[N+](=O)[O-] SC-93989 [1,0,0,0,0,0|2,0,1]=4 37 B7R0.6 CC(C)CNC(N)=S SC-88305 [1,0,0,0,0,0|2,1,0]=4 38 B7R0.6 CC(C)OCC(=O)O SC-88240 [1,0,0,0,0,0|2,0,1]=4 39 B7R0.6 CC(Cl)CCC(=O)Cl SC-74180 [1,0,0,0,0,0|2,0,1]=4 40 B7R0.6 CN(C)CCC(=O)O SC-84721 [1,0,0,0,0,0|2,0,1]=4 41 B7R0.6 CN(C)CCC(=O)O SC-98010 [1,0,0,0,0,0|2,0,1]=4 42 B7R0.6 CN(C)CCC(N)=O SC-89196 [1,0,0,0,0,0|2,0,1]=4 43 B7R0.6 C[C@@H](O)COC(=O)O SC-01561 [1,0,0,0,0,0|3,0,0]=4 44 B9R0.23 CCC(=O)C(C)CN(C)C SC-44504 [0,1,0,0,0,0|2,0,1]=4 45 B9R0.39 CC(=O)\C(C#N)=C\N(C)C SC-34249 [0,1,0,0,0,0|2,0,1]=4 46 B9R0.39 CN[C@@H](CC(C)C)C(=O)O SC-82208 [0,1,0,0,0,0|2,0,1]=4 47 B9R0.57 CC(Br)C(=O)OC(C)(C)C SC-89805 [0,1,0,0,0,0|2,0,1]=4 48 B9R0.57 CC(C)(C)CC(N)C(=O)O SC-20148 [0,1,0,0,0,0|2,0,1]=4 49 B9R0.57 CC(C)(C)CC(N)C(=O)O SC-70362 [0,1,0,0,0,0|2,0,1]=4 50 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O SC-52818 [0,1,0,0,0,0|2,0,1]=4 51 B9R0.57 CC(N)C(=O)OC(C)(C)C SC-24633 [0,1,0,0,0,0|2,0,1]=4 52 B9R0.57 CC(N)C(=O)OC(C)(C)C SC-A4341 [0,1,0,0,0,0|2,0,1]=4 53 B9R0.57 CN(N)C(=O)OC(C)(C)C SC-28672 [0,1,0,0,0,0|3,0,0]=4 54 B9R0.57 C[C@H](N)C(=O)OC(C)(C)C SC-09300 [0,1,0,0,0,0|2,0,1]=4 55 B9R0.57 C[C@H](O)C(=O)OC(C)(C)C SC-34034 [0,1,0,0,0,0|1,0,2]=4 56 B9R0.79 CC(C)C(O)C(N)C(=O)O SC-48909 [0,1,0,0,0,0|2,0,1]=4 57 B9R1.35 CC(=O)N1CCC(O)C1 SC-00079 [0,0,0,1,0,0|3,0,0]=4 58 B9R1.69 CC1CN(C)C(=O)CN1 SC-24030 [0,0,0,1,0,0|3,0,0]=4 59 B9R1.69 CC1CN(C)CCC1=O SC-21048 [0,0,0,1,0,0|2,0,1]=4 60 B9R1.112 NC(CC1CC1)C(=O)O SC-60891 [0,0,0,1,0,0|2,0,1]=4 61 B7R0.16 CC(C)C(=O)C(=O)O SC-27422 [0,0,0,0,1,0|1,0,0]=2 62 B7R0.16 CC(C)C(=O)C(=O)[O-] SC-13686 [0,0,0,0,1,0|1,0,0]=2 63 B7R0.16 CC(C)C(Br)C(=O)O SC-26681 [0,0,0,0,1,0|2,0,1]=4 64 B7R0.16 CC(C)C(N)C(=O)O SC-09983 [0,0,0,0,1,0|2,0,1]=4 65 B7R0.16 CC(C)C(N)C(=O)O SC-09984 [0,0,0,0,1,0|2,0,1]=4 66 B7R0.16 CC(C)C(N)C(=O)O SC-09985 [0,0,0,0,1,0|2,0,1]=4 67 B7R0.16 CC(C)C(O)C(=O)O SC-A2103 [0,0,0,0,1,0|1,0,2]=4 68 B7R0.16 CC(C)[C@@H](O)C(=O)O SC-01716 [0,0,0,0,1,0|1,0,2]=4 69 B7R0.16 CC(C)[C@H](N)C(N)=O SC-19666 [0,0,0,0,1,0|2,0,1]=4 70 B7R0.16 CN(C)C(=O)N(C)C SC-18367 [0,0,0,0,1,0|3,0,0]=4 71 B9R0.7 CC(C)CC[C@H](N)C(=O)O SC-93270 [0,0,0,0,0,1|2,0,1]=4 72 B9R0.53 CC(=O)CC(=O)OC(C)C SC-18510 [0,0,0,0,0,1|1,0,0]=2 73 B9R0.53 CC(C)=CC(=O)C=C(C)C SC-83781 [0,0,0,0,0,1|1,0,2]=4 74 B9R0.53 CC(C)C[C@H](N)CC(=O)O SC-26176 [0,0,0,0,0,1|2,0,1]=4 75 B9R0.53 CC(C)OC(=O)OC(C)C SC-98291 [0,0,0,0,0,1|2,0,1]=4 76 B9R0.53 CC(C)OC(=O)OC(C)Cl SC-22876 [0,0,0,0,0,1|2,0,1]=4 77 B6R0.1 CNCC(=O)OC SC-10432 [2,0,0,0,0,0|2,0,0]=4 78 B6R0.1 COC(=O)CCBr SC-18677 [2,0,0,0,0,0|2,0,0]=4 79 B6R0.1 COC(=O)CCN SC-21486 [2,0,0,0,0,0|2,0,0]=4 80 B6R0.1 COC(=O)CCO SC-21690 [2,0,0,0,0,0|2,0,0]=4 81 B6R0.1 COC(=O)CSC SC-20536 [2,0,0,0,0,0|2,0,0]=4 82 B6R0.1 COCC(=O)OC SC-62202 [2,0,0,0,0,0|2,0,0]=4 83 B6R0.2 CC(=O)CC(C)=O SC-77723 [2,0,0,0,0,0|1,0,1]=4 84 B6R0.2 CC(=O)NC(C)C SC-A3057 [2,0,0,0,0,0|1,0,0]=3 85 B6R0.2 CC(=O)OC(C)C SC-25616 [2,0,0,0,0,0|1,0,0]=3 86 B6R0.2 CN(C)CC(N)=O SC-89197 [2,0,0,0,0,0|2,0,0]=4 87 B6R0.2 C[C@@H](N)CC(=O)O SC-10059 [2,0,0,0,0,0|1,0,1]=4 88 B6R0.2 C[C@@H](N)CC(=O)O SC-44142 [2,0,0,0,0,0|1,0,1]=4 89 B6R0.2 C[C@H](N)CC(=O)O SC-21979 [2,0,0,0,0,0|1,0,1]=4 90 B6R0.2 C[C@H](O)CC(=O)O SC-B3327 [2,0,0,0,0,0|1,0,1]=4 91 B6R0.2 C[S+](C)CC(=O)[O-] SC-72907 [2,0,0,0,0,0|1,0,1]=4 92 B6R0.4 CC(=O)CCCBr SC-91341 [2,0,0,0,0,0|1,0,1]=4 93 B6R0.4 CC(=O)NCCN SC-19651 [2,0,0,0,0,0|2,0,0]=4 94 B6R0.4 CCCCC(=O)Cl SC-46867 [2,0,0,0,0,0|1,0,1]=4 95 B6R0.4 CC\C=C\C(=O)O SC-92876 [2,0,0,0,0,0|1,0,1]=4 96 B6R0.4 CN(C)CCC=O SC-12823 [2,0,0,0,0,0|1,0,1]=4 97 B6R0.4 CO\C=C\C(C)=O SC-71024 [2,0,0,0,0,0|1,0,1]=4 98 B6R0.3 CCN(O)C(C)=O SC-69302 [2,0,0,0,0,0|1,0,1]=4 99 B6R0.3 COC(=O)C(=O)Cl SC-27409 [2,0,0,0,0,0|2,0,0]=4 100 B6R0.3 COC(=O)C(C)=O SC-15233 [2,0,0,0,0,0|1,0,0]=3 101 B6R0.3 O=C(O)C(=O)CBr SC-15238 [2,0,0,0,0,0|2,0,0]=4 102 B8R0.2 COC(=O)C(Br)C(C)C SC-16269 [1,1,0,0,0,0|1,0,0]=3 103 B8R0.2 COC(=O)C(N)C(C)O SC-09896 [1,1,0,0,0,0|2,0,0]=4 104 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O SC-67026 [1,1,0,0,0,0|2,0,0]=4 105 B8R0.2 COC(=O)[C@H](N)[C@@H](C)O SC-83393 [1,1,0,0,0,0|2,0,0]=4 106 B8R0.5 CC(C)OC(=O)OCCl SC-47001 [1,1,0,0,0,0|2,0,0]=4 107 B8R0.5 CCCC(=O)CC(C)C SC-99431 [1,1,0,0,0,0|0,0,1]=3 108 B8R0.5 CCOC(=O)CC(C)N SC-35852 [1,1,0,0,0,0|1,0,1]=4 109 B8R0.5 CCOC(=O)CC(C)O SC-08980 [1,1,0,0,0,0|1,0,1]=4 110 B8R0.5 CCOC(=O)CC(C)O SC-93699 [1,1,0,0,0,0|1,0,1]=4 111 B8R0.5 CCOC(=O)C[C@@H](C)O SC-08901 [1,1,0,0,0,0|1,0,1]=4 112 B8R0.5 CCOC(=O)C[C@H](C)N SC-A3124 [1,1,0,0,0,0|1,0,1]=4 113 B8R0.19 COC(=O)C[C@@H](O)CCl SC-08919 [1,1,0,0,0,0|2,0,0]=4 114 B8R0.24 C=CC(=O)OC(C)(C)C SC-18850 [1,1,0,0,0,0|1,0,1]=4 115 B8R0.3 C=C(CBr)C(=O)OCC SC-48122 [1,1,0,0,0,0|2,0,0]=4 116 B8R0.3 CCCC(N)C(=O)OC SC-10383 [1,1,0,0,0,0|1,0,1]=4 117 B8R0.3 CCOC(=O)C(=O)CBr SC-15234 [1,1,0,0,0,0|1,0,0]=3 118 B8R0.3 CCOC(=O)C(=O)CC SC-46250 [1,1,0,0,0,0|1,0,0]=3 119 B8R0.8 CCCCC(=O)C(=O)[O-] SC-94857 [1,1,0,0,0,0|1,0,0]=3 120 B8R0.27 CC(C)(C)C(=O)C(=O)O SC-75151 [0,1,0,0,1,0|1,0,0]=3 121 B10R0.82 C=C(C)C(=O)OCC(O)CO SC-20323 [0,1,0,0,0,1|2,0,0]=4 122 B10R0.82 CCC(C)COC(=O)C(C)C SC-43625 [0,1,0,0,0,1|1,0,1]=4 123 B10R0.31 CC(=O)CC(=O)OC(C)(C)C SC-18846 [0,1,0,0,0,1|1,0,0]=3 124 B10R0.31 CC(=O)NC(=O)OC(C)(C)C SC-94699 [0,1,0,0,0,1|1,0,0]=3 125 B10R0.31 CC(C)(C)OC(=O)CC(=O)O SC-19915 [0,1,0,0,0,1|2,0,0]=4 126 B10R0.44 COC(=O)CC(=O)CC(C)C SC-53185 [0,1,0,0,0,1|0,0,0]=2 127 B10R0.32 CCOC(=O)C(=O)CC(C)=O SC-21949 [0,2,0,0,0,0|1,0,1]=4 128 B10R0.32 CCOC(=O)C(N)CC(C)C SC-41998 [0,2,0,0,0,0|1,0,1]=4 129 B10R0.23 CC(C)C[C@H](NC=O)C(=O)O SC-84014 [0,2,0,0,0,0|1,0,1]=4 130 B8R1.4 CC1CC(=O)CCN1 SC-14913 [1,0,0,1,0,0|1,0,1]=4 131 B8R1.4 CC1CC(=O)CCN1 SC-26346 [1,0,0,1,0,0|1,0,1]=4 132 B8R1.4 CC1CC(=O)CCO1 SC-43658 [1,0,0,1,0,0|1,0,1]=4 133 B8R1.4 CC1CCCC(=O)N1 SC-90092 [1,0,0,1,0,0|1,0,1]=4 134 B8R1.4 CC1CCNC(=O)C1 SC-65553 [1,0,0,1,0,0|1,0,0]=3 135 B8R1.4 CN1CCCC(=O)C1 SC-88063 [1,0,0,1,0,0|1,0,1]=4 136 B8R1.4 CN1CCNC(=O)C1 SC-43594 [1,0,0,1,0,0|2,0,0]=4 137 B8R1.4 O=C1CC(O)CCN1 SC-14921 [1,0,0,1,0,0|2,0,0]=4 138 B8R1.4 O=C1CC(O)CCN1 SC-26449 [1,0,0,1,0,0|2,0,0]=4 139 B8R1.4 O=C1CCCC(O)C1 SC-52929 [1,0,0,1,0,0|1,0,1]=4 140 B8R1.40 COC(=O)CC1CC1 SC-93890 [1,0,0,1,0,0|1,0,0]=3 141 B8R1.40 NNC(=O)CC1CC1 SC-91241 [1,0,0,1,0,0|2,0,0]=4 142 B8R1.51 CC1(C)C=CC(=O)C1 SC-91103 [1,0,0,1,0,0|0,0,1]=3 143 B8R1.51 CC1(C)CCC(=O)O1 SC-21203 [1,0,0,1,0,0|1,0,1]=4 144 B8R1.51 CC1(C)CNC(=O)C1 SC-70558 [1,0,0,1,0,0|1,0,0]=3 145 B8R1.83 COC(=O)[C@@H]1O[C@H]1C SC-49429 [1,0,0,1,0,0|2,0,0]=4 146 B8R1.5 CC1CCCCC1=O SC-20428 [1,0,0,1,0,0|1,0,1]=4 147 B8R1.5 NC1CCCCC1=O SC-22252 [1,0,0,1,0,0|1,0,1]=4 148 B8R1.5 NC1CCCCC1=O SC-84826 [1,0,0,1,0,0|1,0,1]=4 149 B8R1.5 O=C1CCCCC1=O SC-46435 [1,0,0,1,0,0|0,0,0]=2 150 B8R1.5 O=C1CCCCC1Br SC-86496 [1,0,0,1,0,0|1,0,1]=4 151 B8R1.5 O=C1CCCCC1Cl SC-20977 [1,0,0,1,0,0|1,0,1]=4 152 B8R1.5 O=C1CCCCC1O SC-49144 [1,0,0,1,0,0|0,0,2]=4 153 B8R1.7 CC(=O)C1CCCC1 SC-69830 [1,0,0,1,0,0|1,0,1]=4 154 B8R1.7 O=C(O)C1=CCCC1 SC-65352 [1,0,0,1,0,0|2,0,0]=4 155 B8R1.54 CC(Br)C(=O)C1CC1 SC-B7707 [1,0,0,1,0,0|1,0,1]=4 156 B8R1.54 O=C(O)C(=O)C1CC1 SC-49223 [1,0,0,1,0,0|1,0,0]=3 157 B8R1.3 CN1CCC(=O)CC1 SC-01124 [1,0,0,1,0,0|1,0,1]=4 158 B8R1.3 CN1CCC(=O)CC1 SC-90211 [1,0,0,1,0,0|1,0,1]=4 159 B8R1.3 NC1CCC(=O)CC1 SC-51421 [1,0,0,1,0,0|1,0,1]=4 160 B8R1.3 NC1CCC(=O)CC1 SC-94303 [1,0,0,1,0,0|1,0,1]=4 161 B8R1.3 N[C@H]1CCC(=O)NC1 SC-A3084 [1,0,0,1,0,0|2,0,0]=4 162 B8R1.3 O=C1CCC(O)CC1 SC-22101 [1,0,0,1,0,0|1,0,1]=4 163 B8R1.3 O=C1CCC(O)CN1 SC-14920 [1,0,0,1,0,0|2,0,0]=4 164 B8R1.35 O=C(O)CCC1CC1 SC-31428 [1,0,0,1,0,0|1,0,1]=4 165 B8R1.50 C=C1CCN(C)C1=O SC-48828 [0,0,0,1,1,0|2,0,0]=4 166 B8R1.50 CC1=C(O)C(=O)CC1 SC-74535 [0,0,0,1,1,0|0,0,2]=4 167 B10R1.329 CC1(C)CC(=O)CC(=O)C1 SC-17394 [0,0,0,1,0,1|0,0,0]=2 168 B10R1.329 CC1(C)CC(=O)CC(=O)N1 SC-84619 [0,0,0,1,0,1|1,0,0]=3 169 B10R1.329 CC1(C)CC(=O)NC(=O)C1 SC-99802 [0,0,0,1,0,1|0,0,0]=2 170 B10R1.329 CC1(C)CC(=O)OC(=O)C1 SC-A4598 [0,0,0,1,0,1|0,0,0]=2 171 B10R1.329 CC1(C)OC(=O)CC(=O)O1 SC-16180 [0,0,0,1,0,1|2,0,0]=4 172 B10R1.329 CC1CC(=O)CC(C)(C)C1 SC-95744 [0,0,0,1,0,1|1,0,1]=4 173 B10R1.560 CC1(C)CC(=O)C(C)(C)O1 SC-21325 [0,1,0,1,0,0|0,0,2]=4 174 B10R1.31 CC(=O)N1CCC(CBr)C1 SC-92944 [0,1,0,1,0,0|2,0,0]=4 175 B8R0.28 CC(C)C\C=C\C(=O)O SC-96534 [1,0,0,0,0,1|1,0,0]=3 176 B8R0.28 CN(C)C\C=C\C(=O)O SC-20214 [1,0,0,0,0,1|2,0,0]=4 177 B8R0.28 CN(C)C\C=C\C(=O)O SC-82699 [1,0,0,0,0,1|2,0,0]=4