0 B5R0.1 C(C(=O)O)NN DA-26159 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.1 C(CO)C(N)O DA-29834 [0,0,0,0,0,0|1,0,0]=1 2 B5R0.1 CC#CC(C)O DA-23259 [0,0,0,0,0,0|1,0,2]=3 3 B5R0.1 CC(=O)CCN DA-21357 [0,0,0,0,0,0|1,0,2]=3 4 B5R0.1 CC(C)C#CO DA-23402 [0,0,0,0,0,0|1,0,2]=3 5 B5R0.1 CC(C)CC#C DA-39164 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.1 CCCC(C)N DA-25725 [0,0,0,0,0,0|2,0,0]=2 7 B5R0.1 CN(C)CC=O DA-27712 [0,0,0,0,0,0|2,0,2]=4 8 B5R0.1 CN(C)CC=O DA-27713 [0,0,0,0,0,0|2,0,2]=4 9 B5R0.1 CN(C)CC=O DA-27714 [0,0,0,0,0,0|2,0,2]=4 10 B4R0.1 C(C(F)F)I DA-30473 [1,0,0,0,0,0|3,0,0]=4 11 B4R0.2 C#CCCI DA-23101 [1,0,0,0,0,0|1,0,2]=4 12 B4R0.2 C(CF)CI DA-31704 [1,0,0,0,0,0|2,0,0]=3 13 B4R0.2 CSCCI DA-47993 [1,0,0,0,0,0|2,0,0]=3 14 B6R0.1 C#CCC(CO)O DA-39002 [0,1,0,0,0,0|1,0,1]=3 15 B6R0.1 CC(CC=C)C=O DA-25871 [0,1,0,0,0,0|1,0,2]=4 16 B6R0.1 CC(CCO)C=C DA-23352 [0,1,0,0,0,0|1,0,0]=2 17 B6R0.1 CCC(C)CCCl DA-29559 [0,1,0,0,0,0|2,0,0]=3 18 B6R0.1 CCNC(C)CO DA-27702 [0,1,0,0,0,0|2,0,0]=3 19 B6R0.1 CCOC(C)C=O DA-26268 [0,1,0,0,0,0|2,0,1]=4 20 B6R0.1 COCC(CBr)O DA-29655 [0,1,0,0,0,0|2,0,0]=3 21 B6R0.2 CC(CN(C)C)N DA-46451 [0,1,0,0,0,0|3,0,0]=4 22 B6R0.3 CC(C)C(CN)N DA-23404 [0,1,0,0,0,0|2,0,0]=3 23 B6R0.3 CCC(C)C(C)N DA-23377 [0,1,0,0,0,0|2,0,0]=3 24 B6R0.4 C(C#CC(=O)O)O DA-41575 [0,1,0,0,0,0|1,0,2]=4 25 B6R0.4 C(CO)NC(=S)N DA-42881 [0,1,0,0,0,0|1,1,1]=4 26 B6R0.4 CC(=C)CCC#N DA-39108 [0,1,0,0,0,0|2,0,1]=4 27 B6R0.4 CC(=C)CCC=O DA-39109 [0,1,0,0,0,0|1,0,2]=4 28 B6R0.4 CC(C)CCCCl DA-29542 [0,1,0,0,0,0|2,0,0]=3 29 B6R0.4 CC(C)NCCCl DA-41865 [0,1,0,0,0,0|2,0,0]=3 30 B6R0.5 CC(C)(CCO)N DA-25577 [0,1,0,0,0,0|1,0,0]=2 31 B6R1.2 CC1=NCON1 DA-27205 [0,0,0,1,0,0|2,0,1]=4 32 B6R1.2 CC1=NNCC1 DA-22085 [0,0,0,1,0,0|2,0,1]=4 33 B6R1.3 C1CC1CCI DA-32105 [0,0,0,1,0,0|2,0,0]=3 34 B6R1.5 C1C(CC1N)N DA-30289 [0,0,0,1,0,0|2,0,0]=3 35 B6R1.8 C=C1CC1CBr DA-30696 [0,0,0,1,0,0|2,0,1]=4 36 B6R1.10 CC1(CCC1)O DA-29143 [0,0,0,1,0,0|1,0,0]=2 37 B5R0.3 CCC(CN)N DA-30336 [1,1,0,0,0,0|1,0,0]=3 38 B5R0.4 CC(C)(CBr)F DA-29680 [1,1,0,0,0,0|2,0,0]=4 39 B5R0.4 CC(C)(CO)F DA-26205 [1,1,0,0,0,0|1,0,0]=3 40 B5R0.4 CC(C)(CO)O DA-42092 [1,1,0,0,0,0|0,0,0]=2 41 B5R0.2 C(CCBr)CN DA-21372 [1,1,0,0,0,0|1,0,0]=3 42 B5R0.2 CNCCC=C DA-42589 [1,1,0,0,0,0|1,0,1]=4 43 B5R0.2 CNCCCBr DA-25561 [1,1,0,0,0,0|1,0,0]=3 44 B5R0.2 CNCCCBr DA-42177 [1,1,0,0,0,0|1,0,0]=3 45 B5R0.2 CNCCSC DA-39999 [1,1,0,0,0,0|1,1,0]=4 46 B7R0.2 CC(C)CC(=O)CBr DA-29611 [0,2,0,0,0,0|2,0,0]=4 47 B7R0.2 CC(C)CC(C#C)O DA-37159 [0,2,0,0,0,0|1,0,0]=3 48 B7R0.2 CCC(C)NC(C)C DA-42747 [0,2,0,0,0,0|2,0,0]=4 49 B7R0.7 CN(CCN)CCO DA-27048 [0,2,0,0,0,0|2,0,0]=4 50 B7R0.7 CNCC(COC)O DA-29261 [0,2,0,0,0,0|2,0,0]=4 51 B7R0.11 CC(C)(CCN)OC DA-23461 [0,2,0,0,0,0|1,0,0]=3 52 B7R0.11 CC(COC)(C#C)O DA-29264 [0,2,0,0,0,0|2,0,0]=4 53 B7R0.11 CCNC(C)(C)CO DA-27701 [0,2,0,0,0,0|2,0,0]=4 54 B7R0.12 CCCC(CN)CN DA-25686 [0,2,0,0,0,0|2,0,0]=4 55 B7R0.15 CN(C)C(CO)CO DA-27734 [0,2,0,0,0,0|2,0,0]=4 56 B7R0.4 CC(=O)NCCCO DA-48072 [0,2,0,0,0,0|0,0,2]=4 57 B7R0.4 CC(C)CCCCCl DA-29531 [0,2,0,0,0,0|2,0,0]=4 58 B7R0.4 CC(C)NCCOC DA-48104 [0,2,0,0,0,0|1,0,0]=3 59 B7R0.4 CCCNCC(C)C DA-42549 [0,2,0,0,0,0|2,0,0]=4 60 B7R0.6 CC(C#CC(=O)O)O DA-41638 [0,2,0,0,0,0|0,0,2]=4 61 B7R0.6 CC(CCC(=O)O)I DA-41244 [0,2,0,0,0,0|1,0,0]=3 62 B7R0.8 CC(C)(C#CCO)O DA-39137 [0,2,0,0,0,0|0,0,1]=3 63 B7R0.8 CC(C)(C)CCCO DA-22054 [0,2,0,0,0,0|1,0,0]=3 64 B7R0.8 CCCCC(C)(C)Cl DA-26681 [0,2,0,0,0,0|2,0,0]=4 65 B7R0.8 CCNCC(C)(C)O DA-30635 [0,2,0,0,0,0|1,0,0]=3 66 B7R0.8 CCSCC(C)(C)O DA-42921 [0,2,0,0,0,0|1,0,0]=3 67 B7R0.8 C[Si](C)(C)CCCO DA-24837 [0,2,0,0,0,0|1,1,0]=4 68 B5R1.2 C1COC1N DA-25746 [1,0,0,1,0,0|1,0,0]=3 69 B7R1.1 C1COC(O1)CO DA-30497 [0,1,0,1,0,0|2,0,0]=4 70 B7R1.1 C1CSCC1C=O DA-48034 [0,1,0,1,0,0|0,1,1]=4 71 B7R1.1 CNC1CCCC1 DA-41441 [0,1,0,1,0,0|2,0,0]=4 72 B7R1.1 COC1CCC=N1 DA-24737 [0,1,0,1,0,0|2,0,0]=4 73 B7R1.1 COC1CCCC1 DA-34934 [0,1,0,1,0,0|1,0,0]=3 74 B7R1.3 C1C=CC(CO1)O DA-42425 [0,1,0,1,0,0|0,0,1]=3 75 B7R1.3 C1COCC=C1Br DA-39895 [0,1,0,1,0,0|1,0,1]=4 76 B7R1.3 C=C1CCOCC1 DA-42620 [0,1,0,1,0,0|1,0,1]=4 77 B7R1.3 CC1CCOCC1 DA-42393 [0,1,0,1,0,0|1,0,0]=3 78 B7R1.4 C1[C@H]([C@H](CN1)O)O DA-34970 [0,1,0,1,0,0|1,0,0]=3 79 B7R1.4 CC1CNCC1N DA-39111 [0,1,0,1,0,0|2,0,0]=4 80 B7R1.6 CNCC1COC1 DA-45244 [0,1,0,1,0,0|2,0,0]=4 81 B7R1.8 CC1COC1CI DA-27675 [0,1,0,1,0,0|1,0,0]=3 82 B7R1.9 C#CC1CC1CO DA-44618 [0,1,0,1,0,0|1,0,0]=3 83 B7R1.10 C1C(CC1=O)CO DA-25588 [0,1,0,1,0,0|0,0,2]=4 84 B7R1.10 CNC1CC(C1)O DA-24867 [0,1,0,1,0,0|1,0,0]=3 85 B7R1.21 C1CC1(CCO)Br DA-29600 [0,1,0,1,0,0|1,0,0]=3 86 B7R1.25 C1C(CN1)(CO)O DA-24898 [0,1,0,1,0,0|2,0,0]=4 87 B7R1.25 CC1(CCC1)C=O DA-29144 [0,1,0,1,0,0|1,0,1]=4 88 B7R1.25 CCC1(COC1)O DA-23641 [0,1,0,1,0,0|2,0,0]=4 89 B7R1.16 CC1(CC(C1)N)C DA-24793 [0,1,0,1,0,0|2,0,0]=4 90 B7R1.20 CC(C)NC1CC1 DA-41542 [0,1,0,1,0,0|2,0,0]=4 91 B7R1.7 C1CC1C#CCO DA-48339 [0,1,0,1,0,0|1,0,1]=4 92 B7R1.7 C1CC1CCC=O DA-34928 [0,1,0,1,0,0|1,0,1]=4 93 B7R1.7 C1CC1CCCO DA-34927 [0,1,0,1,0,0|1,0,0]=3 94 B7R1.7 CCNCC1CC1 DA-42986 [0,1,0,1,0,0|2,0,0]=4 95 B7R1.14 CC1(CCOC1)O DA-41808 [0,1,0,1,0,0|0,0,0]=2 96 B7R1.14 CC1(NCCO1)C DA-27473 [0,1,0,1,0,0|1,0,0]=3