0 B6R0.1 C#CCC(CO)O DA-39002 [0,0,0,0,0,0|1,0,3]=4 1 B6R0.1 CC(CC=C)C=O DA-25871 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.1 CC(CCO)C=C DA-23352 [0,0,0,0,0,0|2,0,0]=2 3 B6R0.1 CCC(C)CCCl DA-29559 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.1 CCNC(C)CO DA-27702 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.1 CCOC(C)C=O DA-26268 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.1 COCC(CBr)O DA-29655 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.1 C(CO)C(N)O DA-29834 [1,0,0,0,0,0|2,0,0]=3 8 B5R0.1 CC#CC(C)O DA-23259 [1,0,0,0,0,0|0,0,3]=4 9 B5R0.1 CCCC(C)N DA-25725 [1,0,0,0,0,0|1,0,1]=3 10 B5R0.2 C(CCBr)CN DA-21372 [1,0,0,0,0,0|2,0,1]=4 11 B5R0.2 C=CC=CCBr DA-37930 [1,0,0,0,0,0|1,0,2]=4 12 B5R0.2 C=CCNC=O DA-43596 [1,0,0,0,0,0|2,0,1]=4 13 B5R0.2 CNCCC=C DA-42589 [1,0,0,0,0,0|1,0,0]=2 14 B5R0.2 CNCCCBr DA-25561 [1,0,0,0,0,0|2,0,1]=4 15 B5R0.2 CNCCCBr DA-42177 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.2 CNCCSC DA-39999 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.3 CCC(CN)N DA-30336 [1,0,0,0,0,0|2,0,1]=4 18 B7R0.2 CC(C)CC(=O)C=O DA-39138 [0,1,0,0,0,0|1,0,2]=4 19 B7R0.2 CC(C)CC(C#C)O DA-37159 [0,1,0,0,0,0|0,0,2]=3 20 B7R0.5 C#CCC(C(=O)O)O DA-26130 [0,1,0,0,0,0|1,0,2]=4 21 B7R0.5 C(CBr)C(C(=O)Br)Br DA-27326 [0,1,0,0,0,0|3,0,0]=4 22 B7R0.5 CCCN(C)C(=O)Cl DA-42245 [0,1,0,0,0,0|3,0,0]=4 23 B7R0.7 CNCC(COC)O DA-29261 [0,1,0,0,0,0|1,0,2]=4 24 B7R0.11 CC(COC)(C#C)O DA-29264 [0,1,0,0,0,0|1,0,2]=4 25 B7R0.12 CCCC(CN)CN DA-25686 [0,1,0,0,0,0|2,0,1]=4 26 B7R1.1 C1CC(NC1)C#N DA-25679 [0,0,0,1,0,0|2,0,1]=4 27 B7R1.1 C1COC(O1)CO DA-30497 [0,0,0,1,0,0|2,0,1]=4 28 B7R1.1 C1CSCC1C=O DA-48034 [0,0,0,1,0,0|3,0,0]=4 29 B7R1.1 CNC1CCCC1 DA-41441 [0,0,0,1,0,0|2,0,1]=4 30 B7R1.1 COC1CCCC1 DA-34934 [0,0,0,1,0,0|2,0,1]=4 31 B7R1.2 C1C(C=CC1=O)O DA-39357 [0,0,0,1,0,0|1,0,1]=3 32 B7R1.2 Cc1ccc(s1)O DA-37079 [0,0,0,1,0,0|1,0,2]=4 33 B7R1.3 C1C=CC(=O)CO1 DA-39998 [0,0,0,1,0,0|1,0,2]=4 34 B7R1.3 C1C=CC(CO1)O DA-42425 [0,0,0,1,0,0|1,0,0]=2 35 B7R1.3 C1CC(=COC1)Br DA-37788 [0,0,0,1,0,0|2,0,1]=4 36 B7R1.3 C1CC=CC(C1)N DA-26341 [0,0,0,1,0,0|1,0,0]=2 37 B7R1.4 C1[C@H]([C@H](CN1)O)O DA-34970 [0,0,0,1,0,0|2,0,1]=4 38 B7R1.25 C1C(CN1)(CO)O DA-24898 [0,0,0,1,0,0|2,0,1]=4 39 B7R1.25 CC1(CCC1)C=O DA-29144 [0,0,0,1,0,0|2,0,0]=3 40 B7R1.25 CCC1(COC1)O DA-23641 [0,0,0,1,0,0|1,0,2]=4 41 B4R0.2 C(CF)CI DA-31704 [2,0,0,0,0,0|2,0,0]=4 42 B4R0.2 CSCCI DA-47993 [2,0,0,0,0,0|2,0,0]=4 43 B6R0.3 CCC(C)C(C)N DA-23377 [1,1,0,0,0,0|1,0,1]=4 44 B6R0.4 CC(C)CCCCl DA-29542 [1,1,0,0,0,0|1,0,1]=4 45 B6R0.6 C=CCOCC=O DA-27938 [1,1,0,0,0,0|1,0,1]=4 46 B6R0.6 CCCOCC=O DA-25689 [1,1,0,0,0,0|1,0,0]=3 47 B6R0.6 CCC[Sn+2]CCC DA-34908 [1,1,0,0,0,0|0,0,2]=4 48 B6R0.6 CCNCCOC DA-42706 [1,1,0,0,0,0|1,0,1]=4 49 B6R0.6 CCOCCNC DA-26269 [1,1,0,0,0,0|1,0,1]=4 50 B6R0.6 COCOCC=O DA-27663 [1,1,0,0,0,0|2,0,0]=4 51 B8R0.2 C[C@H]([C@H]([C@H](C=O)O)O)O DA-37415 [0,2,0,0,0,0|1,0,0]=3 52 B8R0.16 CC(CC(OC)OC)O DA-22092 [0,2,0,0,0,0|1,0,1]=4 53 B8R0.19 CCC(CC(CC)O)O DA-41068 [0,2,0,0,0,0|0,0,2]=4 54 B8R0.6 C=CCNCC(C=C)O DA-47205 [0,2,0,0,0,0|0,0,1]=3 55 B8R0.9 CC(CCC(=O)O)C=C DA-39098 [0,2,0,0,0,0|1,0,1]=4 56 B8R0.12 CCCC(C)(C(=O)O)O DA-26145 [0,2,0,0,0,0|1,0,0]=3 57 B8R0.22 CCOC(C=O)OCC DA-27512 [0,2,0,0,0,0|2,0,0]=4 58 B6R1.10 CC1(CCC1)O DA-29143 [1,0,0,1,0,0|0,0,1]=3 59 B6R1.4 CC1CNC1=O DA-23380 [1,0,0,1,0,0|2,0,0]=4 60 B6R1.6 C1CC(C1)CCl DA-31839 [1,0,0,1,0,0|1,0,1]=4 61 B6R1.6 CNC1CCC1 DA-42717 [1,0,0,1,0,0|1,0,1]=4 62 B6R1.7 CC1(CC1)C=O DA-29139 [1,0,0,1,0,0|2,0,0]=4 63 B8R1.1 CC1CCC(O1)CN DA-41589 [0,1,0,1,0,0|1,0,1]=4 64 B8R1.4 C1C(COCC1O)N DA-45315 [0,1,0,1,0,0|1,0,1]=4 65 B8R1.4 C1CC(CC(C1)O)N DA-24178 [0,1,0,1,0,0|0,0,2]=4 66 B8R1.4 CC1=CC(CCC1)Cl DA-23862 [0,1,0,1,0,0|1,0,0]=3 67 B8R1.4 CC1CCCC(=O)O1 DA-41276 [0,1,0,1,0,0|2,0,0]=4 68 B8R1.51 CC1(CCC(C1)O)O DA-29251 [0,1,0,1,0,0|0,0,2]=4 69 B8R1.2 C1C(COCO1)C=O DA-30247 [0,1,0,1,0,0|2,0,0]=4 70 B8R1.2 C1CC(CSC1)C=O DA-41962 [0,1,0,1,0,0|1,1,0]=4 71 B8R1.3 CC1=CCC(CC1)N DA-42007 [0,1,0,1,0,0|1,0,1]=4 72 B8R1.5 C1COCC(C1=O)O DA-41566 [0,1,0,1,0,0|1,0,0]=3 73 B8R1.5 CC1=CCCCC1Br DA-42500 [0,1,0,1,0,0|1,0,0]=3 74 B8R1.5 CC1COCCC1=O DA-46235 [0,1,0,1,0,0|2,0,0]=4 75 B8R1.13 CCCC1CCC1=O DA-25683 [0,1,0,1,0,0|1,0,1]=4 76 B8R1.52 C#CC1(CCOC1)O DA-23616 [0,1,0,1,0,0|0,0,2]=4 77 B8R1.52 C1CNCC1(CO)O DA-23563 [0,1,0,1,0,0|1,0,1]=4 78 B8R1.52 C1COCC1(CCl)O DA-44080 [0,1,0,1,0,0|1,0,1]=4 79 B8R1.52 CC1(CCCO1)C=O DA-41324 [0,1,0,1,0,0|1,0,0]=3 80 B8R1.52 CC1(CCCO1)CO DA-41290 [0,1,0,1,0,0|1,0,1]=4 81 B8R1.7 C1CC(NC1)C(=O)Cl DA-41821 [0,1,0,1,0,0|2,0,0]=4 82 B8R1.7 C1CC(SC1)C(=O)Cl DA-41850 [0,1,0,1,0,0|1,1,0]=4 83 B8R1.8 CCCn1cccn1 DA-29084 [0,1,0,1,0,0|2,0,0]=4 84 B8R1.72 CC1(CCCOC1)O DA-42642 [0,1,0,1,0,0|1,0,1]=4 85 B8R1.60 C1CC(C1)(C=O)C=O DA-30480 [0,1,0,1,0,0|1,0,1]=4 86 B8R1.60 CNC1(CCC1)CO DA-30605 [0,1,0,1,0,0|1,0,1]=4 87 B8R2.18 C1C2C1CC(C2)O DA-35031 [0,0,0,2,0,0|0,0,2]=4