0 B8R1.1 C=CC1COC(=O)O1 SC-15987 [0,0,0,0,0,0|1,0,2]=3 1 B8R1.1 CN1CCC(CN)C1 SC-29935 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.1 CN1CCC(CN)C1 SC-51576 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.1 CN1CCC(CO)C1 SC-48010 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.1 CN1CC[C@@H](CO)C1 SC-A3243 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.1 C[C@H]1CC[C@@H](CO)N1 SC-91672 [0,0,0,0,0,0|3,0,1]=4 6 B8R1.1 NCC1CCC(=O)N1 SC-53656 [0,0,0,0,0,0|2,0,0]=2 7 B8R1.1 NC[C@@H]1CCC(=O)N1 SC-44056 [0,0,0,0,0,0|2,0,0]=2 8 B8R1.1 O=C1CC(CO)CN1 SC-66045 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.1 O=C1CC[C@@H](CO)N1 SC-09020 [0,0,0,0,0,0|2,0,0]=2 10 B8R1.1 O=C1CC[C@@H](CO)O1 SC-03496 [0,0,0,0,0,0|1,0,0]=1 11 B8R1.1 O=C1CC[C@H](CO)N1 SC-19648 [0,0,0,0,0,0|2,0,0]=2 12 B8R1.1 O=C1N[C@@H](CO)CO1 SC-33166 [0,0,0,0,0,0|3,0,0]=3 13 B8R1.1 [C@H]1(CBr)CCC(=O)N1 SC-23592 [0,0,0,0,0,0|2,0,0]=2 14 B7R1.1 BrCC1CCCC1 SC-04017 [1,0,0,0,0,0|2,0,1]=4 15 B7R1.1 BrCC1CCCO1 SC-00526 [1,0,0,0,0,0|1,0,1]=3 16 B7R1.1 CCC1CCCN1 SC-29181 [1,0,0,0,0,0|1,0,1]=3 17 B7R1.1 CNC1CCCC1 SC-52894 [1,0,0,0,0,0|2,0,1]=4 18 B7R1.1 CNC1CCCC1 SC-A3381 [1,0,0,0,0,0|2,0,1]=4 19 B7R1.1 CNC1CCOC1 SC-81912 [1,0,0,0,0,0|3,0,0]=4 20 B7R1.1 CN[C@@H]1CCOC1 SC-A2281 [1,0,0,0,0,0|3,0,0]=4 21 B7R1.1 COC1CCNC1 SC-12454 [1,0,0,0,0,0|3,0,0]=4 22 B7R1.1 COC1CCNC1 SC-24177 [1,0,0,0,0,0|3,0,0]=4 23 B7R1.1 CO[C@@H]1CCNC1 SC-25526 [1,0,0,0,0,0|3,0,0]=4 24 B7R1.1 CO[C@@H]1CCNC1 SC-51990 [1,0,0,0,0,0|3,0,0]=4 25 B7R1.1 CO[C@H]1CCNC1 SC-25506 [1,0,0,0,0,0|3,0,0]=4 26 B7R1.1 ICC1CCOC1 SC-26534 [1,0,0,0,0,0|3,0,0]=4 27 B7R1.1 NCC1CCCC1 SC-22285 [1,0,0,0,0,0|2,0,1]=4 28 B7R1.1 NCC1CCCC1 SC-25234 [1,0,0,0,0,0|2,0,1]=4 29 B7R1.1 NCC1CCCN1 SC-98158 [1,0,0,0,0,0|2,0,1]=4 30 B7R1.1 NCC1CCOC1 SC-12415 [1,0,0,0,0,0|3,0,0]=4 31 B7R1.1 NC[C@@H]1CCCO1 SC-28608 [1,0,0,0,0,0|1,0,1]=3 32 B7R1.1 OCC1C=CCN1 SC-92889 [1,0,0,0,0,0|3,0,0]=4 33 B7R1.1 OCC1CC=CC1 SC-45771 [1,0,0,0,0,0|2,0,1]=4 34 B7R1.1 OCC1CCCC1 SC-03842 [1,0,0,0,0,0|2,0,1]=4 35 B7R1.1 OCC1CCCN1 SC-12006 [1,0,0,0,0,0|2,0,1]=4 36 B7R1.1 OCC1CCCO1 SC-94849 [1,0,0,0,0,0|1,0,1]=3 37 B7R1.1 OCC1CCOC1 SC-21250 [1,0,0,0,0,0|3,0,0]=4 38 B7R1.1 OC[C@@H]1CCCN1 SC-02696 [1,0,0,0,0,0|2,0,1]=4 39 B7R1.1 OC[C@@H]1CCCN1 SC-48321 [1,0,0,0,0,0|2,0,1]=4 40 B7R1.1 OC[C@@H]1CCCO1 SC-20330 [1,0,0,0,0,0|1,0,1]=3 41 B7R1.1 OC[C@@H]1CCNC1 SC-48002 [1,0,0,0,0,0|3,0,0]=4 42 B7R1.1 OC[C@H]1CCCN1 SC-06270 [1,0,0,0,0,0|2,0,1]=4 43 B7R1.2 CC1=CC(=O)CC1 SC-18727 [1,0,0,0,0,0|1,0,1]=3 44 B7R1.2 CC1=CC(=O)OC1 SC-25541 [1,0,0,0,0,0|2,0,1]=4 45 B7R1.2 CC1CCC(=O)C1 SC-93748 [1,0,0,0,0,0|1,0,0]=2 46 B7R1.2 CC1CNC(=O)C1 SC-50248 [1,0,0,0,0,0|2,0,0]=3 47 B7R1.2 CC1COC(=O)C1 SC-60836 [1,0,0,0,0,0|2,0,0]=3 48 B7R1.2 CC1COC(=O)O1 SC-65189 [1,0,0,0,0,0|1,0,0]=2 49 B7R1.2 C[C@H]1COC(=O)N1 SC-51056 [1,0,0,0,0,0|2,0,0]=3 50 B7R1.2 C[C@H]1COC(=O)O1 SC-04943 [1,0,0,0,0,0|1,0,0]=2 51 B7R1.2 NC1CNC(=O)C1 SC-66063 [1,0,0,0,0,0|3,0,0]=4 52 B7R1.2 NC1COC(=O)C1 SC-34183 [1,0,0,0,0,0|3,0,0]=4 53 B7R1.2 N[C@@H]1CNC(=O)C1 SC-A4379 [1,0,0,0,0,0|3,0,0]=4 54 B7R1.2 N[C@@H]1COC(=O)C1 SC-71558 [1,0,0,0,0,0|3,0,0]=4 55 B7R1.2 O=C1CC(O)CN1 SC-29049 [1,0,0,0,0,0|3,0,0]=4 56 B7R1.2 O=C1CCC(=O)C1 SC-15331 [1,0,0,0,0,0|2,0,1]=4 57 B7R1.2 O=C1CCC(=O)N1 SC-26697 [1,0,0,0,0,0|2,0,1]=4 58 B7R1.2 O=C1CNC(=O)O1 SC-21301 [1,0,0,0,0,0|2,0,1]=4 59 B7R1.2 O=C1C[C@@H](O)CN1 SC-02616 [1,0,0,0,0,0|3,0,0]=4 60 B7R1.2 O=C1C[C@H](O)CN1 SC-13587 [1,0,0,0,0,0|3,0,0]=4 61 B7R1.2 O=C1C[C@H](O)CO1 SC-06559 [1,0,0,0,0,0|3,0,0]=4 62 B9R1.7 COCC1CNC(=O)C1 SC-48746 [0,1,0,0,0,0|2,0,0]=3 63 B9R1.21 COC1CCC(OC)O1 SC-06338 [0,1,0,0,0,0|1,0,2]=4 64 B9R1.21 OCC1CCC(CO)O1 SC-66811 [0,1,0,0,0,0|1,0,2]=4 65 B9R1.35 CC(C)[C@@H]1CSC(=S)N1 SC-49794 [0,1,0,0,0,0|2,1,0]=4 66 B9R1.35 O=C1CCC(C(=O)O)C1 SC-28724 [0,1,0,0,0,0|2,0,1]=4 67 B9R1.35 O=C1CCC(C(=O)O)N1 SC-01249 [0,1,0,0,0,0|2,0,1]=4 68 B9R1.35 O=C1CCC(C(=O)O)O1 SC-93768 [0,1,0,0,0,0|1,0,1]=3 69 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 SC-07520 [0,1,0,0,0,0|2,0,1]=4 70 B9R1.35 O=C1NCC(C(=O)O)O1 SC-99665 [0,1,0,0,0,0|2,0,1]=4 71 B9R1.35 [C@@H]1(C(=O)O)CCC(=O)O1 SC-47439 [0,1,0,0,0,0|1,0,1]=3 72 B9R1.35 [C@@H]1(C(C)C)COC(=O)N1 SC-07436 [0,1,0,0,0,0|2,0,0]=3 73 B9R1.35 [C@H]1(C(=O)O)CCC(=O)N1 SC-04305 [0,1,0,0,0,0|2,0,1]=4 74 B9R1.35 [C@H]1(C(=O)O)CCC(=O)O1 SC-08888 [0,1,0,0,0,0|1,0,1]=3 75 B9R1.35 [C@H]1(C(C)C)COC(=O)N1 SC-01650 [0,1,0,0,0,0|2,0,0]=3 76 B9R1.35 [C@H]1(C(C)C)CSC(=S)N1 SC-08832 [0,1,0,0,0,0|2,1,0]=4 77 B7R0.2 CCC(C)CC(=O)O SC-19132 [0,0,1,0,0,0|2,0,0]=3 78 B7R0.2 CCC(N)CC(=O)O SC-59260 [0,0,1,0,0,0|3,0,0]=4 79 B7R0.2 CCC(O)CC(C)=O SC-92943 [0,0,1,0,0,0|2,0,0]=3 80 B7R0.3 C=CCOC(=O)CCl SC-95960 [0,0,1,0,0,0|1,0,2]=4 81 B7R0.3 C=CCOC(=O)OC SC-82329 [0,0,1,0,0,0|1,0,2]=4 82 B7R0.3 CCCCC(=N)OC SC-91480 [0,0,1,0,0,0|3,0,0]=4 83 B7R0.3 CCCCC(O)CO SC-74356 [0,0,1,0,0,0|2,0,1]=4 84 B7R0.3 COC(=O)CCC=O SC-47529 [0,0,1,0,0,0|1,0,2]=4 85 B7R0.3 COC(=O)CCCCl SC-15079 [0,0,1,0,0,0|3,0,0]=4 86 B7R0.3 COCCC(=O)OC SC-46379 [0,0,1,0,0,0|3,0,0]=4 87 B7R0.4 C#CCCCC(=O)O SC-73017 [0,0,1,0,0,0|0,0,2]=3 88 B7R0.4 C#CCNCC(=O)O SC-10418 [0,0,1,0,0,0|1,0,2]=4 89 B7R0.4 C#CCNCC(=O)O SC-10419 [0,0,1,0,0,0|1,0,2]=4 90 B7R0.4 C#CCNCC(=O)O SC-65650 [0,0,1,0,0,0|1,0,2]=4 91 B7R0.4 C=CCNCC(=O)O SC-74362 [0,0,1,0,0,0|1,0,2]=4 92 B7R0.4 C=CCOCC(=O)O SC-49027 [0,0,1,0,0,0|1,0,2]=4 93 B7R0.4 CCCC#CC(=O)O SC-96568 [0,0,1,0,0,0|0,0,2]=3 94 B7R0.4 CCCNCC(=O)O SC-97541 [0,0,1,0,0,0|1,0,0]=2 95 B7R0.4 CCCSCC(=O)O SC-45283 [0,0,1,0,0,0|1,0,0]=2 96 B7R0.4 CCC\C=C\C(C)=O SC-49007 [0,0,1,0,0,0|1,0,2]=4 97 B7R0.4 CCO\C=C\C(=O)O SC-89061 [0,0,1,0,0,0|1,0,2]=4 98 B7R0.4 CNCCCC(=O)O SC-49793 [0,0,1,0,0,0|1,0,0]=2 99 B7R0.4 CNCCCC(=O)O SC-A2900 [0,0,1,0,0,0|1,0,0]=2 100 B7R0.4 COCCCC(=O)O SC-51378 [0,0,1,0,0,0|1,0,0]=2 101 B7R0.4 COCCNC(N)=O SC-62189 [0,0,1,0,0,0|3,0,0]=4 102 B7R0.4 C\C=C\CCC(=O)O SC-21245 [0,0,1,0,0,0|0,0,2]=3 103 B7R0.4 NC(=O)CCCCBr SC-98143 [0,0,1,0,0,0|2,0,0]=3 104 B7R0.4 NCCCCC(=O)O SC-10120 [0,0,1,0,0,0|1,0,0]=2 105 B7R0.4 NCCCCC(=O)O SC-92391 [0,0,1,0,0,0|1,0,0]=2 106 B7R0.4 NCCCCC(N)=O SC-94858 [0,0,1,0,0,0|2,0,0]=3 107 B7R0.4 NCCCCC(N)=O SC-A4262 [0,0,1,0,0,0|2,0,0]=3 108 B7R0.4 NCCNCC(=O)O SC-21750 [0,0,1,0,0,0|2,0,0]=3 109 B7R0.4 O=C(Cl)CCCCBr SC-13447 [0,0,1,0,0,0|2,0,0]=3 110 B7R0.4 O=C(Cl)CCCCCl SC-16009 [0,0,1,0,0,0|2,0,0]=3 111 B7R0.4 O=C(O)CCCCBr SC-02338 [0,0,1,0,0,0|1,0,0]=2 112 B7R0.4 O=C([O-])COCCO SC-A2671 [0,0,1,0,0,0|2,0,1]=4 113 B9R2.39 BrC1CC2CCC1C2 SC-A3245 [0,0,0,1,0,0|2,0,1]=4 114 B9R2.39 O=C1CC2CCC1C2 SC-50094 [0,0,0,1,0,0|1,0,0]=2 115 B9R2.39 O=C1NC2C=CC1C2 SC-17066 [0,0,0,1,0,0|1,0,2]=4 116 B9R2.39 [C@@H]12C=C[C@@H](C1)C(=O)N2 SC-14133 [0,0,0,1,0,0|1,0,2]=4 117 B9R2.39 [C@H]12CC[C@H](C1)C(=O)N2 SC-52249 [0,0,0,1,0,0|1,0,0]=2 118 B9R2.68 C1CC2CNCC1O2 SC-25409 [0,0,0,1,0,0|2,0,1]=4 119 B9R2.68 C1CC2CNCC1O2 SC-89187 [0,0,0,1,0,0|2,0,1]=4 120 B9R2.68 C1CC2CNCC1O2 SC-89272 [0,0,0,1,0,0|2,0,1]=4 121 B7R1.10 O=C1CC(CO)C1 SC-86648 [0,0,0,0,1,0|2,0,0]=3 122 B9R1.1 CNC1CCC(=O)CC1 SC-92932 [0,0,0,0,0,1|2,0,0]=3 123 B9R1.1 COC1CCC(=O)CC1 SC-51182 [0,0,0,0,0,1|2,0,0]=3 124 B9R1.1 N#CC1CCC(=O)CC1 SC-29485 [0,0,0,0,0,1|2,0,1]=4 125 B9R1.1 NCC1CCC(=O)NC1 SC-A2876 [0,0,0,0,0,1|2,0,0]=3 126 B9R1.1 O=C1CCC(CO)CC1 SC-66212 [0,0,0,0,0,1|2,0,0]=3 127 B9R1.2 CCC1CC(=O)CCN1 SC-35111 [0,0,0,0,0,1|1,0,0]=2 128 B9R1.2 O=C1CCCC(CO)N1 SC-21439 [0,0,0,0,0,1|2,0,0]=3 129 B6R0.1 C#CC(=O)OCC SC-05846 [1,0,1,0,0,0|0,0,2]=4 130 B6R0.1 CCOC(=N)CCl SC-39703 [1,0,1,0,0,0|2,0,0]=4 131 B6R0.1 CCOC(=N)CCl SC-53117 [1,0,1,0,0,0|2,0,0]=4 132 B6R0.1 CCOC(=O)C#N SC-20120 [1,0,1,0,0,0|1,0,1]=4 133 B6R0.1 CCOC(=O)CBr SC-17870 [1,0,1,0,0,0|1,0,0]=3 134 B6R0.1 CCOC(=O)CCl SC-79310 [1,0,1,0,0,0|1,0,0]=3 135 B6R0.1 CCOC(=O)CN SC-09569 [1,0,1,0,0,0|1,0,0]=3 136 B6R0.1 CCOC(=O)CN SC-48652 [1,0,1,0,0,0|1,0,0]=3 137 B6R0.1 CCOC(=O)CO SC-50412 [1,0,1,0,0,0|1,0,0]=3 138 B6R0.1 CCOC(=O)CS SC-18381 [1,0,1,0,0,0|1,0,0]=3 139 B6R0.1 CCOC(=O)NN SC-50147 [1,0,1,0,0,0|2,0,0]=4 140 B6R0.1 CNCC(=O)OC SC-10432 [1,0,1,0,0,0|2,0,0]=4 141 B6R0.1 COC(=O)CCBr SC-18677 [1,0,1,0,0,0|2,0,0]=4 142 B6R0.1 COC(=O)CCN SC-21486 [1,0,1,0,0,0|2,0,0]=4 143 B6R0.1 COC(=O)CCO SC-21690 [1,0,1,0,0,0|2,0,0]=4 144 B6R0.1 COC(=O)CSC SC-20536 [1,0,1,0,0,0|2,0,0]=4 145 B6R0.1 COC(=O)OCCl SC-53303 [1,0,1,0,0,0|2,0,0]=4 146 B6R0.1 COCC(=O)OC SC-62202 [1,0,1,0,0,0|2,0,0]=4 147 B6R0.1 OCCC(O)CO SC-15322 [1,0,1,0,0,0|1,0,1]=4 148 B6R0.1 OCC[C@H](O)CO SC-08973 [1,0,1,0,0,0|1,0,1]=4 149 B6R0.2 CC(=O)NC(C)C SC-A3057 [1,0,1,0,0,0|1,0,0]=3 150 B6R0.2 CC(=O)OC(C)C SC-25616 [1,0,1,0,0,0|0,0,0]=2 151 B6R0.2 CC(C)OC(C)C SC-65190 [1,0,1,0,0,0|1,0,1]=4 152 B6R0.2 CC(Cl)OC(=O)Cl SC-13624 [1,0,1,0,0,0|2,0,0]=4 153 B6R0.4 C=CCCC(=O)O SC-25836 [1,0,1,0,0,0|0,0,2]=4 154 B6R0.4 CC(=O)CCCBr SC-91341 [1,0,1,0,0,0|2,0,0]=4 155 B6R0.4 CC(=O)NCCN SC-19651 [1,0,1,0,0,0|2,0,0]=4 156 B6R0.4 CCCCC(=O)Cl SC-46867 [1,0,1,0,0,0|1,0,0]=3 157 B6R0.4 CC\C=C\C(=O)O SC-92876 [1,0,1,0,0,0|0,0,2]=4 158 B6R0.4 CN(C)CCC=O SC-12823 [1,0,1,0,0,0|2,0,0]=4 159 B6R0.4 CNCCC(=O)O SC-27492 [1,0,1,0,0,0|1,0,0]=3 160 B6R0.4 CNCCC(=O)O SC-52914 [1,0,1,0,0,0|1,0,0]=3 161 B6R0.4 COCCC(=O)O SC-50255 [1,0,1,0,0,0|1,0,0]=3 162 B6R0.4 CSCCC(=O)O SC-96567 [1,0,1,0,0,0|1,0,0]=3 163 B6R0.4 NCCCC(=O)O SC-10045 [1,0,1,0,0,0|1,0,0]=3 164 B6R0.4 O=C(Cl)CCCBr SC-70369 [1,0,1,0,0,0|2,0,0]=4 165 B6R0.4 O=C(O)CCCCl SC-89723 [1,0,1,0,0,0|1,0,0]=3 166 B6R0.6 C=CCCCCBr SC-27023 [1,0,1,0,0,0|2,0,0]=4 167 B6R0.6 CCCCCNC SC-25672 [1,0,1,0,0,0|2,0,0]=4 168 B6R0.6 CCCCON=O SC-70750 [1,0,1,0,0,0|2,0,0]=4 169 B6R0.6 CCC\C=C\C=O SC-25240 [1,0,1,0,0,0|0,0,2]=4 170 B6R0.6 CCOCCCO SC-00354 [1,0,1,0,0,0|1,0,1]=4 171 B6R0.6 CNCCCCO SC-13108 [1,0,1,0,0,0|1,0,1]=4 172 B6R0.6 NCCCCCO SC-20467 [1,0,1,0,0,0|1,0,1]=4 173 B6R0.6 O=CCCCCCl SC-A3300 [1,0,1,0,0,0|1,0,0]=3 174 B6R0.6 OCCCCCBr SC-43699 [1,0,1,0,0,0|1,0,1]=4 175 B6R0.6 OCCCCCO SC-69222 [1,0,1,0,0,0|1,0,1]=4 176 B6R0.9 CCB(CC)OC SC-22792 [1,0,1,0,0,0|1,0,1]=4 177 B6R0.9 CCC(OC)OC SC-85699 [1,0,1,0,0,0|1,0,1]=4 178 B6R1.2 CC1=CCCC1 SC-46849 [2,0,0,0,0,0|2,0,0]=4 179 B6R1.2 CC1=CCCO1 SC-69814 [2,0,0,0,0,0|1,0,1]=4 180 B6R1.2 CC1=NCCC1 SC-07079 [2,0,0,0,0,0|2,0,0]=4 181 B6R1.2 CC1CCCN1 SC-89376 [2,0,0,0,0,0|1,0,1]=4 182 B6R1.2 CC1CCCN1 SC-A3822 [2,0,0,0,0,0|1,0,1]=4 183 B6R1.2 CC1CCNC1 SC-24125 [2,0,0,0,0,0|2,0,0]=4 184 B6R1.2 CC1CCNC1 SC-49333 [2,0,0,0,0,0|2,0,0]=4 185 B6R1.2 C[C@@H]1CCNC1 SC-23714 [2,0,0,0,0,0|2,0,0]=4 186 B6R1.2 C[C@@H]1CCNC1 SC-50232 [2,0,0,0,0,0|2,0,0]=4 187 B6R1.2 C[C@H]1CCCN1 SC-95860 [2,0,0,0,0,0|1,0,1]=4 188 B6R1.2 C[C@H]1CCNC1 SC-50233 [2,0,0,0,0,0|2,0,0]=4 189 B6R1.2 NC1=NCCC1 SC-68430 [2,0,0,0,0,0|2,0,0]=4 190 B6R1.2 NC1=NCCO1 SC-89542 [2,0,0,0,0,0|2,0,0]=4 191 B6R1.2 O=C1C=CCC1 SC-07348 [2,0,0,0,0,0|1,0,1]=4 192 B6R1.2 O=C1C=CCO1 SC-50260 [2,0,0,0,0,0|0,0,2]=4 193 B6R1.2 O=C1CCCN1 SC-85210 [2,0,0,0,0,0|1,0,0]=3 194 B6R1.2 O=C1CCNC1 SC-24328 [2,0,0,0,0,0|2,0,0]=4 195 B6R1.2 O=C1CCNC1 SC-50749 [2,0,0,0,0,0|2,0,0]=4 196 B6R1.2 O=C1CCNN1 SC-21405 [2,0,0,0,0,0|2,0,0]=4 197 B6R1.2 O=C1CCOC1 SC-21867 [2,0,0,0,0,0|2,0,0]=4 198 B6R1.2 O=C1NCCO1 SC-04833 [2,0,0,0,0,0|1,0,0]=3 199 B6R1.2 O=C1NCCS1 SC-27050 [2,0,0,0,0,0|1,1,0]=4 200 B6R1.2 O=S1OCCO1 SC-15793 [2,0,0,0,0,0|2,0,0]=4 201 B6R1.2 [C@@H]1(C)CCCN1 SC-48604 [2,0,0,0,0,0|1,0,1]=4 202 B8R0.2 CCC(C)C(N)C(=O)O SC-09610 [0,1,1,0,0,0|2,0,0]=4 203 B8R0.2 CCC(C)C(N)C(N)=O SC-24873 [0,1,1,0,0,0|2,0,0]=4 204 B8R0.16 COC(CC(C)=O)OC SC-15190 [0,1,1,0,0,0|2,0,0]=4 205 B8R0.19 CCC(=O)OC(=O)CC SC-26875 [0,1,1,0,0,0|1,0,1]=4 206 B8R0.23 CC(=O)CC(O)[C@H](C)N SC-76554 [0,1,1,0,0,0|2,0,0]=4 207 B8R0.1 CCC#CC(=O)OCC SC-70982 [0,1,1,0,0,0|1,0,1]=4 208 B8R0.1 CCOC(=O)CCCN SC-87395 [0,1,1,0,0,0|2,0,0]=4 209 B8R0.1 CCOC(=O)CCCO SC-99324 [0,1,1,0,0,0|2,0,0]=4 210 B8R0.3 CCCC(N)C(=O)OC SC-10383 [0,1,1,0,0,0|2,0,0]=4 211 B8R0.3 CCOC(=O)C(=O)CC SC-46250 [0,1,1,0,0,0|2,0,0]=4 212 B8R0.3 O=CCC(O)C(O)CO SC-13541 [0,1,1,0,0,0|1,0,0]=3 213 B8R0.3 O=CC[C@H](O)[C@H](O)CO SC-09180 [0,1,1,0,0,0|1,0,0]=3 214 B8R0.6 CCCSCC(=O)OC SC-44744 [0,1,1,0,0,0|1,1,0]=4 215 B8R0.6 COC(=O)CCCCBr SC-66180 [0,1,1,0,0,0|2,0,0]=4 216 B8R0.9 CCC(=O)CCC(=O)O SC-58454 [0,1,1,0,0,0|0,0,2]=4 217 B8R0.11 CCO\C=C(\C=O)CC SC-74280 [0,1,1,0,0,0|2,0,0]=4 218 B8R0.7 C#CCCCCC(=O)O SC-20440 [0,1,1,0,0,0|0,0,1]=3 219 B8R0.7 C#CCOCCC(=O)O SC-A2263 [0,1,1,0,0,0|0,0,2]=4 220 B8R0.7 CCCCCCB(O)O SC-97201 [0,1,1,0,0,0|1,0,1]=4 221 B8R0.7 CCCCCCC(C)O SC-47133 [0,1,1,0,0,0|1,0,1]=4 222 B8R0.7 CCCCOCC(=O)O SC-22619 [0,1,1,0,0,0|0,0,0]=2 223 B8R0.7 CCCCSCC(=N)N SC-38959 [0,1,1,0,0,0|2,0,0]=4 224 B8R0.7 COCCOCC(=O)O SC-89730 [0,1,1,0,0,0|1,0,0]=3 225 B8R0.7 NCCCCCC(=O)O SC-10067 [0,1,1,0,0,0|0,0,0]=2 226 B8R0.7 O=C(O)CCCCCBr SC-04420 [0,1,1,0,0,0|0,0,0]=2 227 B8R0.7 O=C(O)CCCCCO SC-17400 [0,1,1,0,0,0|0,0,0]=2 228 B8R0.7 O=C(O)CCOCCBr SC-A2260 [0,1,1,0,0,0|1,0,0]=3 229 B8R0.7 O=C([O-])CCCCCO SC-82416 [0,1,1,0,0,0|0,0,1]=3 230 B8R0.21 CCCCCS(=O)(=O)O SC-90285 [0,1,1,0,0,0|1,0,0]=3 231 B8R0.21 CCCCCS(=O)(=O)[O-] SC-15136 [0,1,1,0,0,0|1,0,1]=4 232 B8R0.21 O=S(=O)(O)CCCCO SC-53329 [0,1,1,0,0,0|2,0,0]=4 233 B8R0.28 CC(C)C\C=C\C(=O)O SC-96534 [0,1,1,0,0,0|0,0,2]=4 234 B8R1.7 CC(C)[C@@H]1CCCN1 SC-A3785 [1,1,0,0,0,0|1,0,1]=4 235 B8R1.8 BrCCC1CCCC1 SC-51481 [1,1,0,0,0,0|1,0,1]=4 236 B8R1.8 BrCCC1OCCO1 SC-17714 [1,1,0,0,0,0|1,0,1]=4 237 B8R1.8 CNCC1CCCN1 SC-84535 [1,1,0,0,0,0|1,0,1]=4 238 B8R1.8 COCC1CCNC1 SC-A4865 [1,1,0,0,0,0|2,0,0]=4 239 B8R1.8 COC[C@@H]1CCCN1 SC-08833 [1,1,0,0,0,0|1,0,1]=4 240 B8R1.8 COC[C@H]1CCCN1 SC-06922 [1,1,0,0,0,0|1,0,1]=4 241 B8R1.8 NCCC1CCCC1 SC-44893 [1,1,0,0,0,0|1,0,1]=4 242 B8R1.8 NCCC1CCCC1 SC-A3050 [1,1,0,0,0,0|1,0,1]=4 243 B8R1.8 OCCC1CCCC1 SC-41116 [1,1,0,0,0,0|1,0,1]=4 244 B8R1.8 OCCC1CCCN1 SC-48011 [1,1,0,0,0,0|1,0,1]=4 245 B8R1.8 OCCC1CCNC1 SC-48001 [1,1,0,0,0,0|2,0,0]=4 246 B8R1.8 OCCC1CCNC1 SC-83461 [1,1,0,0,0,0|2,0,0]=4 247 B8R1.18 CC1CC(=O)OC1=O SC-97577 [1,1,0,0,0,0|1,0,1]=4 248 B8R1.18 CC1OC(=O)OC1C SC-21491 [1,1,0,0,0,0|1,0,0]=3 249 B8R1.50 CC1=C(O)C(=O)CC1 SC-74535 [1,1,0,0,0,0|1,0,1]=4 250 B8R1.50 CN1C(=O)CCC1O SC-88414 [1,1,0,0,0,0|2,0,0]=4 251 B8R1.51 CC1(C)CCC(=O)O1 SC-21203 [1,1,0,0,0,0|0,0,0]=2 252 B8R1.51 CC1(C)CNC(=O)C1 SC-70558 [1,1,0,0,0,0|2,0,0]=4 253 B8R1.51 CC1CCS(=O)(=O)O1 SC-21616 [1,1,0,0,0,0|1,0,0]=3 254 B8R1.51 C[C@@H]1COS(=O)(=O)O1 SC-69929 [1,1,0,0,0,0|2,0,0]=4 255 B10R1.1 CCCC1CCC(=O)CC1 SC-77109 [0,1,0,0,0,1|1,0,0]=3 256 B10R1.1 CCCN1CCC(=O)CC1 SC-02678 [0,1,0,0,0,1|2,0,0]=4 257 B10R1.13 CN(C)C1CCC(=O)CC1 SC-85674 [0,1,0,0,0,1|2,0,0]=4 258 B10R1.8 CCC1CC(=O)CC(=O)C1 SC-54604 [0,1,0,0,0,1|1,0,0]=3 259 B10R1.10 CCOC1=CC(=O)CCC1 SC-70370 [0,1,0,0,0,1|1,0,1]=4 260 B10R1.14 COC(=O)C1CCC(=O)C1 SC-32839 [0,2,0,0,0,0|1,0,1]=4 261 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 SC-24234 [0,2,0,0,0,0|1,0,1]=4 262 B10R1.54 CC(C)CC1CNC(=O)C1 SC-94804 [0,2,0,0,0,0|2,0,0]=4 263 B10R1.54 O=C(O)CC1CCC(=O)C1 SC-32553 [0,2,0,0,0,0|1,0,1]=4 264 B10R1.34 CCC1OC(=O)C(O)=C1C SC-06363 [0,2,0,0,0,0|0,0,2]=4 265 B8R1.4 CC1CC(=O)CCN1 SC-14913 [0,0,1,1,0,0|2,0,0]=4 266 B8R1.4 CC1CC(=O)CCN1 SC-26346 [0,0,1,1,0,0|2,0,0]=4 267 B8R1.4 CC1CC(=O)CCO1 SC-43658 [0,0,1,1,0,0|2,0,0]=4 268 B8R1.4 CC1CCCC(=O)N1 SC-90092 [0,0,1,1,0,0|1,0,0]=3 269 B8R1.4 CC1CCNC(=O)C1 SC-65553 [0,0,1,1,0,0|2,0,0]=4 270 B8R1.4 CC1CNCC(=O)N1 SC-68745 [0,0,1,1,0,0|2,0,0]=4 271 B8R1.4 CN1CCCC(=O)C1 SC-88063 [0,0,1,1,0,0|2,0,0]=4 272 B8R1.4 C[C@H]1COCC(=O)N1 SC-82343 [0,0,1,1,0,0|2,0,0]=4 273 B8R1.4 O=C1CCCC(=O)O1 SC-43876 [0,0,1,1,0,0|1,0,1]=4 274 B8R1.4 O=C1CCCC(O)C1 SC-52929 [0,0,1,1,0,0|2,0,0]=4 275 B8R1.34 O=C(O)CC1CCC1 SC-26391 [0,0,1,1,0,0|2,0,0]=4 276 B8R1.42 CC(=O)OC1(C)CC1 SC-91864 [0,0,1,1,0,0|0,0,0]=2 277 B8R1.3 CN1CCC(=O)CC1 SC-01124 [0,0,1,1,0,0|2,0,0]=4 278 B8R1.3 CN1CCC(=O)CC1 SC-90211 [0,0,1,1,0,0|2,0,0]=4 279 B8R1.3 NC1CCC(=O)CC1 SC-51421 [0,0,1,1,0,0|1,0,0]=3 280 B8R1.3 NC1CCC(=O)CC1 SC-94303 [0,0,1,1,0,0|1,0,0]=3 281 B8R1.3 NC1CCC(O)CC1 SC-26489 [0,0,1,1,0,0|1,0,1]=4 282 B8R1.3 NC1CCC(O)CC1 SC-43558 [0,0,1,1,0,0|1,0,1]=4 283 B8R1.3 NC1CCC(O)CC1 SC-45530 [0,0,1,1,0,0|1,0,1]=4 284 B8R1.3 N[C@H]1CCC(=O)NC1 SC-A3084 [0,0,1,1,0,0|2,0,0]=4 285 B8R1.3 N[C@H]1CC[C@H](O)CC1 SC-03065 [0,0,1,1,0,0|1,0,1]=4 286 B8R1.3 N[C@H]1CC[C@H](O)CC1 SC-21292 [0,0,1,1,0,0|1,0,1]=4 287 B8R1.3 O=C1CCC(=O)CC1 SC-15336 [0,0,1,1,0,0|0,0,2]=4 288 B8R1.3 O=C1CCC(O)CC1 SC-22101 [0,0,1,1,0,0|0,0,0]=2 289 B8R1.3 O=C1CCC(O)CN1 SC-14920 [0,0,1,1,0,0|1,0,0]=3 290 B8R1.3 OC1CCC(O)CC1 SC-22723 [0,0,1,1,0,0|0,0,2]=4 291 B8R1.3 O[C@H]1CC[C@H](O)CC1 SC-51814 [0,0,1,1,0,0|0,0,2]=4 292 B8R1.5 CC1CCCCC1=O SC-20428 [0,0,1,1,0,0|1,0,0]=3 293 B8R1.5 C[C@H]1NCCNC1=O SC-05130 [0,0,1,1,0,0|2,0,0]=4 294 B8R1.5 NC1CCCCC1=O SC-22252 [0,0,1,1,0,0|2,0,0]=4 295 B8R1.5 NC1CCCCC1=O SC-84826 [0,0,1,1,0,0|2,0,0]=4 296 B8R1.5 NC1CCCNC1=O SC-14514 [0,0,1,1,0,0|2,0,0]=4 297 B8R1.5 N[C@@H]1CCCNC1=O SC-48796 [0,0,1,1,0,0|2,0,0]=4 298 B8R1.5 N[C@H]1CCCNC1=O SC-27263 [0,0,1,1,0,0|2,0,0]=4 299 B8R1.5 O=C1CCCCC1Br SC-86496 [0,0,1,1,0,0|2,0,0]=4 300 B8R1.5 O=C1CCCCC1Cl SC-20977 [0,0,1,1,0,0|2,0,0]=4 301 B8R1.5 O=C1CCCCC1O SC-49144 [0,0,1,1,0,0|2,0,0]=4 302 B8R1.5 O=C1NCCCC1O SC-14922 [0,0,1,1,0,0|2,0,0]=4 303 B8R1.22 O=C1C=CCCCC1 SC-99582 [0,0,1,1,0,0|1,0,1]=4 304 B8R1.22 O=C1CCCNCC1 SC-20974 [0,0,1,1,0,0|2,0,0]=4 305 B8R1.22 O=C1CCCNCC1 SC-20993 [0,0,1,1,0,0|2,0,0]=4 306 B8R1.22 O=C1CCNCCN1 SC-05951 [0,0,1,1,0,0|2,0,0]=4 307 B8R1.22 O=C1CNCCCN1 SC-21981 [0,0,1,1,0,0|2,0,0]=4 308 B8R1.38 O=C(CBr)C1CCC1 SC-23369 [0,0,1,1,0,0|2,0,0]=4 309 B8R1.35 O=C(O)CCC1CC1 SC-31428 [0,0,1,1,0,0|0,0,0]=2 310 B8R1.72 CC1(O)CCCCC1 SC-44648 [0,0,1,1,0,0|1,0,1]=4 311 B8R2.34 C1=CC2CCC1C2 SC-49283 [1,0,0,1,0,0|1,0,0]=3 312 B8R2.34 C1CC2CC1CN2 SC-67774 [1,0,0,1,0,0|1,0,1]=4 313 B8R2.34 C1CC2CC1CN2 SC-A4189 [1,0,0,1,0,0|1,0,1]=4 314 B8R2.34 C1CC2CCC1N2 SC-70696 [1,0,0,1,0,0|1,0,1]=4 315 B8R2.34 C1O[C@@H]2CN[C@H]1C2 SC-35864 [1,0,0,1,0,0|1,0,1]=4 316 B8R2.34 [C@@H]12CO[C@@H](CN1)C2 SC-51029 [1,0,0,1,0,0|1,0,1]=4 317 B8R2.34 [C@H]12CO[C@H](CN1)C2 SC-48245 [1,0,0,1,0,0|1,0,1]=4 318 B8R2.55 C1CNC2(C1)CC2 SC-68619 [1,0,0,1,0,0|1,0,1]=4 319 B10R2.335 O=C1COC2(CC2)CN1 SC-68615 [0,0,0,1,0,1|1,0,0]=3 320 B10R2.71 O=C1CC2CCC(C1)O2 SC-51298 [0,0,0,1,0,1|1,0,0]=3 321 B10R2.71 [C@H]12CC[C@H](CC(=O)C1)N2 SC-21470 [0,0,0,1,0,1|1,0,0]=3 322 B10R2.2 [C@H]12CC=C[C@H]1CC(=O)O2 SC-47307 [0,1,0,1,0,0|0,0,1]=3 323 B10R2.332 O=C1CC2(CNC2)CN1 SC-93838 [0,1,0,1,0,0|2,0,0]=4 324 B6R0.3 CC(CBr)C(=O)O SC-53016 [0,0,1,0,1,0|2,0,0]=4 325 B6R0.3 CC(CN)C(=O)O SC-10095 [0,0,1,0,1,0|2,0,0]=4 326 B6R0.3 CC(CN)C(=O)O SC-16443 [0,0,1,0,1,0|2,0,0]=4 327 B6R0.3 CCC(F)C(=O)O SC-82839 [0,0,1,0,1,0|2,0,0]=4 328 B6R0.3 CCC(N)C(=O)O SC-25570 [0,0,1,0,1,0|2,0,0]=4 329 B6R0.3 CCC(N)C(N)=O SC-67619 [0,0,1,0,1,0|2,0,0]=4 330 B6R0.3 CCC(S)C(=O)O SC-90417 [0,0,1,0,1,0|2,0,0]=4 331 B6R0.3 CCN(O)C(C)=O SC-69302 [0,0,1,0,1,0|2,0,0]=4 332 B6R0.3 CC[C@@H](C)C(=O)O SC-92309 [0,0,1,0,1,0|1,0,0]=3 333 B6R0.3 CC[C@@H](N)C(=O)O SC-10051 [0,0,1,0,1,0|2,0,0]=4 334 B6R0.3 CC[C@@H](O)C(=O)O SC-53865 [0,0,1,0,1,0|2,0,0]=4 335 B6R0.3 CC[C@H](N)C(=O)O SC-10052 [0,0,1,0,1,0|2,0,0]=4 336 B6R0.3 CC[C@H](N)C(N)=O SC-15825 [0,0,1,0,1,0|2,0,0]=4 337 B6R0.3 CN[C@H](C)C(=O)O SC-45134 [0,0,1,0,1,0|2,0,0]=4 338 B6R0.3 COC(C)C(=O)O SC-49776 [0,0,1,0,1,0|2,0,0]=4 339 B6R0.3 CON(C)C(C)=O SC-20924 [0,0,1,0,1,0|2,0,0]=4 340 B6R0.3 CO[C@@H](C)C(=O)O SC-89341 [0,0,1,0,1,0|2,0,0]=4 341 B6R0.3 CO[C@H](C)C(=O)O SC-A3340 [0,0,1,0,1,0|2,0,0]=4 342 B6R0.3 C[C@@H](CN)C(=O)O SC-69436 [0,0,1,0,1,0|2,0,0]=4 343 B6R0.3 C[C@H](CN)C(=O)O SC-90232 [0,0,1,0,1,0|2,0,0]=4 344 B6R0.3 C[C@H](CN)C(=O)O SC-A1203 [0,0,1,0,1,0|2,0,0]=4 345 B6R0.3 [C@@H](N)(CC)C(N)=O SC-49088 [0,0,1,0,1,0|2,0,0]=4 346 B6R1.6 BrCC1CCC1 SC-17177 [1,0,0,0,1,0|1,0,1]=4 347 B6R1.6 CNC1CCC1 SC-48003 [1,0,0,0,1,0|1,0,1]=4 348 B6R1.6 ICC1CCC1 SC-B3939 [1,0,0,0,1,0|1,0,1]=4 349 B6R1.6 NCC1CCC1 SC-12470 [1,0,0,0,1,0|1,0,1]=4 350 B6R1.6 NCC1CCC1 SC-22241 [1,0,0,0,1,0|1,0,1]=4 351 B6R1.6 NCC1CCC1 SC-A4294 [1,0,0,0,1,0|1,0,1]=4 352 B6R1.6 OCC1CCC1 SC-16736 [1,0,0,0,1,0|1,0,1]=4 353 B6R1.6 OCC1CCO1 SC-48256 [1,0,0,0,1,0|1,0,0]=3 354 B6R1.5 NC1CC(=O)C1 SC-50311 [1,0,0,0,1,0|2,0,0]=4 355 B6R1.5 NC1CC(=O)C1 SC-67476 [1,0,0,0,1,0|2,0,0]=4