0 B7R0.3 C#CCCC(=O)NN DA-47769 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.3 C(CC(=O)CBr)CCl DA-29610 [0,0,0,0,0,0|4,0,0]=4 2 B7R0.3 CCC#CC(=O)OC DA-43094 [0,0,0,0,0,0|1,0,2]=3 3 B7R0.3 CCCOC(=O)CBr DA-42657 [0,0,0,0,0,0|4,0,0]=4 4 B7R0.3 CNCCC(=O)NC DA-42263 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.3 COC(=O)CCC=C DA-41292 [0,0,0,0,0,0|1,0,1]=2 6 B7R0.3 COC(=O)NCC#C DA-45403 [0,0,0,0,0,0|2,0,1]=3 7 B7R0.3 COC(=O)NCCN DA-33027 [0,0,0,0,0,0|3,0,0]=3 8 B6R0.1 CCNC(=O)OC DA-41968 [1,0,0,0,0,0|1,0,0]=2 9 B6R0.1 COC(=O)CC#C DA-23882 [1,0,0,0,0,0|0,0,2]=3 10 B6R0.1 COC(=O)NC#N DA-42250 [1,0,0,0,0,0|2,0,1]=4 11 B6R0.1 COCC(=N)OC DA-32949 [1,0,0,0,0,0|1,1,0]=3 12 B6R0.4 C=CCCC(=O)Cl DA-39003 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.4 CC(=C)CCC#N DA-39108 [1,0,0,0,0,0|3,0,0]=4 14 B6R0.4 CC(=C)CCC=O DA-39109 [1,0,0,0,0,0|3,0,0]=4 15 B6R0.4 CC(=O)OCC=O DA-27942 [1,0,0,0,0,0|3,0,0]=4 16 B6R0.6 CCNCCOC DA-42706 [1,0,0,0,0,0|2,0,1]=4 17 B6R0.6 CCOCCNC DA-26269 [1,0,0,0,0,0|3,0,0]=4 18 B8R0.1 CCC#CC(=O)OCC DA-25724 [0,1,0,0,0,0|1,0,2]=4 19 B8R0.1 CCOC(=O)CCC=O DA-23087 [0,1,0,0,0,0|2,0,0]=3 20 B8R0.1 CCOC(=O)NCC#C DA-33640 [0,1,0,0,0,0|2,0,1]=4 21 B8R0.3 CC(CCBr)C(=O)OC DA-23145 [0,1,0,0,0,0|2,0,0]=3 22 B8R0.3 CCCC(=O)C(=O)CC DA-24673 [0,1,0,0,0,0|2,0,1]=4 23 B8R0.3 COC(=O)C(CC#C)N DA-33025 [0,1,0,0,0,0|1,0,1]=3 24 B8R0.6 CCCC#CC(=O)OC DA-26182 [0,1,0,0,0,0|1,0,1]=3 25 B8R0.6 CCCCCC(=O)CBr DA-29678 [0,1,0,0,0,0|3,0,0]=4 26 B8R0.6 COC(=O)CCCCN DA-32363 [0,1,0,0,0,0|1,0,0]=2 27 B8R0.6 COC(=O)CCCCO DA-32302 [0,1,0,0,0,0|1,0,0]=2 28 B8R0.6 COC(=O)CNCC=C DA-33139 [0,1,0,0,0,0|1,0,1]=3 29 B8R0.6 COCC#CC(=O)OC DA-32439 [0,1,0,0,0,0|0,1,1]=3 30 B8R0.8 CN(C)C(=O)CCC#C DA-42188 [0,1,0,0,0,0|2,0,1]=4 31 B8R0.9 CC(C)CCC(=O)CBr DA-29606 [0,1,0,0,0,0|3,0,0]=4 32 B8R0.9 CC(C)NNC(=O)OC DA-28771 [0,1,0,0,0,0|3,0,0]=4 33 B8R0.9 CC(CCC(=O)OC)I DA-40744 [0,1,0,0,0,0|1,0,0]=2 34 B8R0.9 CCC(=O)NCC(C)C DA-42026 [0,1,0,0,0,0|3,0,0]=4 35 B8R0.9 COC(=O)NCC(=O)Cl DA-41337 [0,1,0,0,0,0|3,0,0]=4 36 B8R0.9 COC(=O)NCC(=O)O DA-43563 [0,1,0,0,0,0|3,0,0]=4 37 B8R0.19 CC(CC(=O)OC)CBr DA-23140 [0,1,0,0,0,0|2,0,0]=3 38 B8R0.19 CNC(=O)CC(=O)OC DA-32818 [0,1,0,0,0,0|1,0,1]=3 39 B8R1.1 C1C(COC1=O)CO DA-34846 [0,0,0,1,0,0|2,0,0]=3 40 B8R1.3 CC1CNC(=O)CO1 DA-36000 [0,0,0,1,0,0|3,0,0]=4 41 B8R1.5 C1COCC(C1=O)O DA-41566 [0,0,0,1,0,0|2,1,0]=4 42 B8R1.5 CC1COCCC1=O DA-46235 [0,0,0,1,0,0|1,1,0]=3 43 B8R1.5 CN1CCNCC1=O DA-29215 [0,0,0,1,0,0|3,0,0]=4 44 B8R1.13 CCCC1CCC1=O DA-25683 [0,0,0,1,0,0|2,0,0]=3 45 B8R1.22 C1CNCC(=O)NC1 DA-30234 [0,0,0,1,0,0|3,0,0]=4 46 B8R1.22 C1COCCNC1=O DA-48241 [0,0,0,1,0,0|1,1,0]=3 47 B8R1.22 CC1CCNCCO1 DA-35898 [0,0,0,1,0,0|2,0,1]=4 48 B8R1.38 CNC(=O)C1CNC1 DA-41080 [0,0,0,1,0,0|2,0,0]=3 49 B8R1.83 CC1C(O1)C(=O)OC DA-32664 [0,0,0,1,0,0|2,0,0]=3 50 B5R0.1 C(C(=O)O)NN DA-26159 [2,0,0,0,0,0|2,0,0]=4 51 B5R0.1 CC(=O)CCN DA-21357 [2,0,0,0,0,0|1,0,0]=3 52 B5R0.1 CCCC(C)N DA-25725 [2,0,0,0,0,0|1,0,1]=4 53 B5R0.2 CNCCC=C DA-42589 [2,0,0,0,0,0|1,0,1]=4 54 B5R0.2 CNCCSC DA-39999 [2,0,0,0,0,0|1,0,0]=3 55 B7R0.2 CC(C)CC(=O)C=O DA-39138 [1,1,0,0,0,0|2,0,0]=4 56 B7R0.2 CC(C)CC(=O)CBr DA-29611 [1,1,0,0,0,0|2,0,0]=4 57 B7R0.2 COC(=O)CC(=S)N DA-32774 [1,1,0,0,0,0|0,0,2]=4 58 B7R0.5 CN(C)C(=O)CCCl DA-23719 [1,1,0,0,0,0|2,0,0]=4 59 B7R0.7 CCOC(=O)CC#C DA-23883 [1,1,0,0,0,0|0,0,2]=4 60 B7R0.7 COCC(=O)CC#N DA-39210 [1,1,0,0,0,0|1,0,1]=4 61 B7R0.10 CC(C#C)C(=O)OC DA-32932 [1,1,0,0,0,0|0,0,2]=4 62 B7R0.10 COC(C(=O)OC)Cl DA-33008 [1,1,0,0,0,0|0,1,0]=3 63 B7R0.10 C[C@@H](C(=O)OC)NC DA-47787 [1,1,0,0,0,0|1,0,0]=3 64 B7R0.4 CC(=O)NCCCO DA-48072 [1,1,0,0,0,0|2,0,0]=4 65 B7R0.4 COCC#CC(=O)O DA-39237 [1,1,0,0,0,0|0,1,1]=4 66 B7R0.6 CC(CCC(=O)O)I DA-41244 [1,1,0,0,0,0|1,0,0]=3 67 B9R0.5 CCOC(=O)C#CCOC DA-33863 [0,2,0,0,0,0|0,1,1]=4 68 B9R0.5 CCOC(=O)CCCCN DA-33789 [0,2,0,0,0,0|1,0,0]=3 69 B9R0.5 CCOC(=O)CNCC=C DA-42823 [0,2,0,0,0,0|1,0,1]=4 70 B9R0.5 CCOC(=O)COCCN DA-45829 [0,2,0,0,0,0|2,0,0]=4 71 B9R0.8 CCCCC(=O)N(C)OC DA-46355 [0,2,0,0,0,0|1,0,0]=3 72 B9R0.8 CN(C(=O)CCCBr)OC DA-23133 [0,2,0,0,0,0|2,0,0]=4 73 B9R0.34 CCOC(=O)CC(=N)NC DA-34076 [0,2,0,0,0,0|1,0,1]=4 74 B9R0.34 CCOC(=O)CC(C=O)Br DA-34105 [0,2,0,0,0,0|2,0,0]=4 75 B9R0.34 CCOC(=O)CC(CCl)O DA-33892 [0,2,0,0,0,0|2,0,0]=4 76 B9R0.34 CCOC(=O)CC(CI)O DA-34080 [0,2,0,0,0,0|2,0,0]=4 77 B9R0.6 CCCC(C(=O)N(C)C)Br DA-26733 [0,2,0,0,0,0|2,0,0]=4 78 B9R0.23 CC(CC(=O)C)C(=O)OC DA-32936 [0,2,0,0,0,0|1,0,0]=3 79 B9R0.27 CC(C(=O)OC)C(=O)OC DA-34794 [0,2,0,0,0,0|0,1,1]=4 80 B9R0.60 CC(C)(CSC)C(=O)OC DA-33091 [0,2,0,0,0,0|0,0,0]=2 81 B9R0.1 CC(=O)CCCC(=O)OC DA-32281 [0,2,0,0,0,0|1,0,0]=3 82 B9R0.24 CCC(C#CC(=O)OC)O DA-32445 [0,2,0,0,0,0|1,0,1]=4 83 B9R0.24 COC(=O)CCS(=O)OC DA-32819 [0,2,0,0,0,0|0,0,1]=3 84 B9R0.46 CCOCC#CC(=O)OC DA-32460 [0,2,0,0,0,0|0,1,1]=4 85 B9R0.46 COC(=O)CCCCC#C DA-36139 [0,2,0,0,0,0|1,0,0]=3 86 B9R0.46 COC(=O)CCCCCN DA-42938 [0,2,0,0,0,0|1,0,0]=3 87 B9R0.46 COC(=O)CCCN=C=O DA-32443 [0,2,0,0,0,0|1,0,1]=4 88 B9R0.47 CCCCOC(=O)C(C)Br DA-35000 [0,2,0,0,0,0|2,0,0]=4 89 B9R0.21 CC(C)(C)OCC(=O)OC DA-32922 [0,2,0,0,0,0|2,0,0]=4 90 B9R0.21 COC(=O)CCC(Cl)(Cl)Cl DA-43382 [0,2,0,0,0,0|2,0,0]=4 91 B7R1.1 COC1CCCC1 DA-34934 [1,0,0,1,0,0|1,0,1]=4 92 B7R1.1 CSC1=NCCC1 DA-24719 [1,0,0,1,0,0|1,1,0]=4 93 B7R1.2 CC1CC(=O)NN1 DA-37107 [1,0,0,1,0,0|2,0,0]=4 94 B7R1.12 C=C1CC1C(=O)O DA-25803 [1,0,0,1,0,0|1,0,1]=4 95 B7R1.12 CC1CC1C(=O)N DA-25804 [1,0,0,1,0,0|2,0,0]=4 96 B7R1.20 CC(=O)NC1CC1 DA-42871 [1,0,0,1,0,0|2,0,0]=4 97 B9R1.2 CCC1CCNC(=O)C1 DA-39441 [0,1,0,1,0,0|2,0,0]=4 98 B9R1.2 COC1CCCC(=O)C1 DA-23429 [0,1,0,1,0,0|1,1,0]=4 99 B9R1.15 C1CCC(=O)C(C1)CO DA-28975 [0,1,0,1,0,0|2,0,0]=4 100 B9R1.49 C1CC(CCC(=O)C1)O DA-23103 [0,1,0,1,0,0|2,0,0]=4 101 B9R1.69 CN1CC(CCC1=O)N DA-38066 [0,1,0,1,0,0|2,0,0]=4 102 B9R1.75 CCOC(=O)CC1CC1 DA-34930 [0,1,0,1,0,0|1,0,0]=3 103 B9R1.183 CCOC(=O)C1CC1=C DA-34266 [0,1,0,1,0,0|1,0,1]=4 104 B9R1.183 CCOC(=O)N1CC1C DA-34267 [0,1,0,1,0,0|2,0,0]=4 105 B9R1.3 CN1CCCC(C1=O)Br DA-25574 [0,1,0,1,0,0|2,0,0]=4 106 B9R1.3 CN1CCCC(C1=O)N DA-24331 [0,1,0,1,0,0|2,0,0]=4 107 B9R1.11 COC(=O)N1CC=CC1 DA-41841 [0,1,0,1,0,0|1,0,1]=4 108 B9R1.82 COC(=O)C1CC(=C)C1 DA-43929 [0,1,0,1,0,0|1,0,0]=3 109 B9R1.186 COC(=O)C1(COC1)N DA-32731 [0,1,0,1,0,0|0,1,0]=3 110 B9R1.79 CCC(=O)NC1CNC1 DA-45618 [0,1,0,1,0,0|2,0,0]=4 111 B9R1.79 COC(=O)CC1CNC1 DA-24123 [0,1,0,1,0,0|1,0,0]=3 112 B9R1.79 COC(=O)CC1CNC1 DA-32728 [0,1,0,1,0,0|1,0,0]=3 113 B9R1.79 COC(=O)CC1CNC1 DA-32729 [0,1,0,1,0,0|1,0,0]=3 114 B9R1.80 COC(=O)C#CC1CC1 DA-41317 [0,1,0,1,0,0|1,0,1]=4 115 B9R1.40 CC1(CNCCC1=O)C DA-24796 [0,1,0,1,0,0|2,0,0]=4 116 B9R1.113 COC(=O)CC1(CC1)N DA-48133 [0,1,0,1,0,0|1,0,0]=3