0 B9R0.5 C=CCCCC(=O)OCC 5392AE [0,0,0,0,0,0|0,0,0]=0 1 B9R0.5 CCCNCC(=O)OCC 0138AP [0,0,0,0,0,0|1,0,2]=3 2 B9R0.5 CCOC(=O)CNCCN V4614 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.1 C=CCNC(=O)CCCl 8322AC [1,0,0,0,0,0|3,0,0]=4 4 B8R0.1 C=CCNC(=O)CCN 2213AD [1,0,0,0,0,0|3,0,0]=4 5 B8R0.1 C=CCNC(=O)CNC 2215AD [1,0,0,0,0,0|3,0,0]=4 6 B8R0.1 CCCCC(=O)CCC 8758AB [1,0,0,0,0,0|1,0,1]=3 7 B8R0.1 CCOC(=O)CCOC 6085AL [1,0,0,0,0,0|1,0,1]=3 8 B8R0.1 C\C=C\C(=O)CCCC 5771AL [1,0,0,0,0,0|1,0,2]=4 9 B8R0.4 C=CCCCCCCC 8130AF [1,0,0,0,0,0|1,0,1]=3 10 B8R0.6 C=CCCCC(=O)OC 6778AL [1,0,0,0,0,0|0,0,0]=1 11 B8R0.6 CCNCCC(=O)OC 6995AJ [1,0,0,0,0,0|1,0,2]=4 12 B8R0.6 COC(=O)CCCCN 9801AB [1,0,0,0,0,0|1,0,1]=3 13 B8R0.6 COC(=O)CCN=C=O 4514AE [1,0,0,0,0,0|2,0,1]=4 14 B10R0.1 C=CCNCCC(=O)OCC 3858AE [0,1,0,0,0,0|0,0,0]=1 15 B10R0.1 CCCNCCC(=O)NCC 7923AC [0,1,0,0,0,0|1,0,2]=4 16 B10R0.1 CCCNCCC(=O)OCC 0093AE [0,1,0,0,0,0|0,0,2]=3 17 B10R0.1 CCOC(=O)CCCN=C=S 5523AD [0,1,0,0,0,0|1,0,1]=3 18 B10R0.1 CCOC(=O)\C=C\CCCCl 3021AL [0,1,0,0,0,0|1,0,2]=4 19 B10R0.3 C=C(C)CCCC(=O)OCC 5166AB [0,1,0,0,0,0|0,0,0]=1 20 B10R0.3 CCOC(=O)CSCC(C)=O 7389AE [0,1,0,0,0,0|1,0,1]=3 21 B10R0.19 CCOC(=O)[C@@H](N)CCCN X4052 [0,1,0,0,0,0|1,0,1]=3 22 B10R1.11 CCNC(=O)C1CCCN1 6332AE [0,0,0,1,0,0|2,0,1]=4 23 B10R1.11 CCOC(=O)C1=CNC=C1 Z4680 [0,0,0,1,0,0|1,0,2]=4 24 B10R1.11 CCOC(=O)C1CC=NN1 Z5298 [0,0,0,1,0,0|2,0,1]=4 25 B10R1.11 CCOC(=O)C1CCOC1 6739AA [0,0,0,1,0,0|1,0,1]=3 26 B10R1.29 CCCCC1CCCC1=O 5846AC [0,0,0,1,0,0|1,0,2]=4 27 B10R1.78 O=C1CCCCCCCN1 5501AL [0,0,0,1,0,0|1,0,2]=4 28 B10R1.135 CCOC(=O)C1CC1CO 1740AJ [0,0,0,1,0,0|1,0,1]=3 29 B10R1.137 CCOC(=O)CC1COC1 3606AA [0,0,0,1,0,0|1,0,1]=3 30 B7R0.1 C=CCCCCCCl 5718AC [2,0,0,0,0,0|1,0,1]=4 31 B7R0.1 C=CCOCCCC 7029AL [2,0,0,0,0,0|1,0,1]=4 32 B7R0.1 CC\C=C\CCCC 9221AL [2,0,0,0,0,0|1,0,1]=4 33 B7R0.3 C=C(CC)CCCC 5608AL [2,0,0,0,0,0|1,0,1]=4 34 B7R0.3 C=CCCC(=O)OC 0026AQ [2,0,0,0,0,0|0,0,0]=2 35 B7R0.3 C=CCNC(=O)CN 2048AD [2,0,0,0,0,0|2,0,0]=4 36 B7R0.3 CCC(=O)NCCN 3366AF [2,0,0,0,0,0|2,0,0]=4 37 B7R0.3 CCC(=O)NCCO 8325AL [2,0,0,0,0,0|2,0,0]=4 38 B7R0.3 CCNCC(=O)OC 2143AA [2,0,0,0,0,0|1,0,1]=4 39 B7R0.3 CCNCC(=O)OC 2988AC [2,0,0,0,0,0|1,0,1]=4 40 B7R0.3 CNC(=O)CCCN 5583AD [2,0,0,0,0,0|2,0,0]=4 41 B7R0.3 CNCCC(=O)OC 1857AB [2,0,0,0,0,0|1,0,1]=4 42 B7R0.3 CNCCC(=O)OC X3419 [2,0,0,0,0,0|1,0,1]=4 43 B7R0.3 COC(=N)CCCCl 2164AC [2,0,0,0,0,0|2,0,0]=4 44 B7R0.3 COC(=O)CCC=O W3030 [2,0,0,0,0,0|1,0,0]=3 45 B7R0.3 COC(=O)CCCS X9990 [2,0,0,0,0,0|1,0,0]=3 46 B7R0.3 C\C=C\CC(=O)OC 9761AJ [2,0,0,0,0,0|0,0,2]=4 47 B7R0.7 C=C=CC(=O)OCC 4330AD [2,0,0,0,0,0|0,0,2]=4 48 B7R0.7 C=CCC(=O)OCC X3652 [2,0,0,0,0,0|0,0,0]=2 49 B7R0.7 CCNC(=O)CCN 1836AD [2,0,0,0,0,0|2,0,0]=4 50 B7R0.7 CCOC(=N)CCCl 7257AD [2,0,0,0,0,0|2,0,0]=4 51 B7R0.7 CCOC(=O)\C=C/Br 8650AJ [2,0,0,0,0,0|1,0,1]=4 52 B7R0.7 CCOC(=O)\C=C/I 7873AL [2,0,0,0,0,0|1,0,1]=4 53 B7R0.7 CCOS(=O)OCC 7113AF [2,0,0,0,0,0|2,0,0]=4 54 B7R0.4 C=CCCCB(O)O X0893 [2,0,0,0,0,0|1,0,1]=4 55 B7R0.4 C=CCCOC(C)=O 3121AL [2,0,0,0,0,0|1,0,0]=3 56 B7R0.4 C=CCSCC(=O)O 6981AD [2,0,0,0,0,0|1,0,0]=3 57 B7R0.4 CC(=O)CCCC#N 6789AL [2,0,0,0,0,0|1,0,1]=4 58 B9R0.4 CCCCC(=O)CC(C)C 1651AC [1,1,0,0,0,0|1,0,1]=4 59 B9R0.18 O=C(OCCCl)OCCCl 7328AL [1,1,0,0,0,0|2,0,0]=4 60 B9R0.34 CCOC(=O)C[C@H](O)CBr 6466AC [1,1,0,0,0,0|1,0,0]=3 61 B9R0.35 CCOC(=O)C(Cl)OCC 4043AB [1,1,0,0,0,0|1,0,1]=4 62 B9R0.48 CCOC(=O)CC[N+](=O)[O-] Y8858 [1,1,0,0,0,0|2,0,0]=4 63 B9R0.48 CCOC(=O)CNC(N)=O 7014AE [1,1,0,0,0,0|2,0,0]=4 64 B9R0.2 C=CCCCCOC(C)=O 6779AL [1,1,0,0,0,0|0,0,2]=4 65 B9R0.45 C\C=C/CCCCCCC 7421AL [1,1,0,0,0,0|1,0,1]=4 66 B9R0.1 COC(=O)CCC[N+](=O)[O-] Z9740 [1,1,0,0,0,0|2,0,0]=4 67 B9R0.1 COC(=O)CCNC(C)=O 3347AB [1,1,0,0,0,0|1,0,1]=4 68 B11R0.4 CCOC(=O)CCNCCCO 8074AC [0,2,0,0,0,0|0,0,2]=4 69 B11R0.4 CCOC(=O)CCNCCOC 7588AE [0,2,0,0,0,0|0,0,2]=4 70 B11R0.4 CCOC(=O)NCCCCCO 7138AD [0,2,0,0,0,0|0,0,2]=4 71 B11R0.4 CCOC(=O)\C=C\CCCCCl 3076AL [0,2,0,0,0,0|1,0,1]=4 72 B11R0.174 CCOC(=O)CCNC(C)CC 0197AF [0,2,0,0,0,0|0,0,2]=4 73 B11R0.147 CCCCC(=O)CCCC(=O)O 1675AE [0,2,0,0,0,0|2,0,0]=4 74 B11R0.165 CC(C)(C)OC(=O)NCCC=O Y3132 [0,2,0,0,0,0|2,0,0]=4 75 B9R1.2 O=C1CC(CO)CCN1 5141AE [1,0,0,1,0,0|2,0,0]=4 76 B9R1.15 CCC1CCCCC1=O 6094AB [1,0,0,1,0,0|1,0,1]=4 77 B9R1.15 COC1=CCCCC1=O 1767AJ [1,0,0,1,0,0|2,0,0]=4 78 B9R1.27 CCN1C(=O)CCC1=O 8556AL [1,0,0,1,0,0|2,0,0]=4 79 B9R1.69 CC1CC(=O)CCC1O 4918AC [1,0,0,1,0,0|2,0,0]=4 80 B9R1.73 CCOC(=O)C1CCN1 1941AC [1,0,0,1,0,0|1,0,0]=3 81 B9R1.73 CCOC(=O)C1CCN1 8256AA [1,0,0,1,0,0|1,0,0]=3 82 B9R1.73 CCOC(=O)[C@@H]1CCN1 2353AC [1,0,0,1,0,0|1,0,0]=3 83 B9R1.183 CCOC(=O)C1CC1C 0688AB [1,0,0,1,0,0|0,0,1]=3 84 B9R1.183 CCOC(=O)[C@H]1C[C@H]1F 3219AL [1,0,0,1,0,0|1,0,0]=3 85 B9R1.1 CNC1CCC(=O)CC1 Y5985 [1,0,0,1,0,0|1,0,1]=4 86 B9R1.1 O=CC1CCC(=O)CC1 6740AC [1,0,0,1,0,0|1,0,0]=3 87 B9R1.11 COC(=O)[C@@H]1CCNC1 5916AB [1,0,0,1,0,0|1,0,1]=4 88 B9R1.79 COC(=O)CC1CNC1 4710AC [1,0,0,1,0,0|1,0,1]=4 89 B11R1.16 CCOC(=O)C1CNCCO1 1605AA [0,1,0,1,0,0|1,0,1]=4 90 B11R1.16 CCOC(=O)C1CNCCS1 6815AJ [0,1,0,1,0,0|1,0,1]=4 91 B11R1.16 CCOC(=O)C1COCCN1 5295AA [0,1,0,1,0,0|1,0,1]=4 92 B11R1.16 CCOC(=O)C1COCCN1 6742AJ [0,1,0,1,0,0|1,0,1]=4 93 B11R1.16 CCOC(=O)C1CSCCN1 W7174 [0,1,0,1,0,0|1,0,1]=4 94 B11R1.16 CCOC(=O)C1CSCCN1 Y7685 [0,1,0,1,0,0|1,0,1]=4 95 B11R1.16 CCOC(=O)N1CCCCC1 7551AB [0,1,0,1,0,0|0,0,2]=4 96 B11R1.16 CCOC(=O)[C@@H]1CCCCN1 1290AB [0,1,0,1,0,0|0,0,2]=4 97 B11R1.16 CCOC(=O)[C@@H]1COCCN1 1075AB [0,1,0,1,0,0|1,0,1]=4 98 B11R1.16 CCOC(=O)[C@H]1CCCCN1 1289AB [0,1,0,1,0,0|0,0,2]=4 99 B11R1.16 CCOC(=O)[C@H]1CCCNC1 2534AA [0,1,0,1,0,0|0,0,2]=4 100 B11R1.16 CCOC(=O)[C@H]1CCCNC1 3621AH [0,1,0,1,0,0|0,0,2]=4 101 B11R1.16 CCOC(=O)[C@H]1CCCNC1 V1785 [0,1,0,1,0,0|0,0,2]=4 102 B11R1.30 CCOC(=O)CC1=CSC=N1 6665AJ [0,1,0,1,0,0|1,0,1]=4 103 B11R1.30 CCOC(=O)CC1=NC=CS1 W3087 [0,1,0,1,0,0|1,0,1]=4 104 B11R1.30 CCOC(=O)CC1=NNC=C1 8330AH [0,1,0,1,0,0|1,0,1]=4 105 B11R1.30 CCOC(=O)CC1CCNC1 1258AC [0,1,0,1,0,0|0,0,2]=4 106 B11R1.30 CCOC(=O)CC1OCCO1 6496AE [0,1,0,1,0,0|1,0,1]=4 107 B11R1.30 CCOC(=O)CN1C=CC=N1 0534AA [0,1,0,1,0,0|1,0,1]=4 108 B11R1.30 CCOC(=O)CN1C=NC=N1 5741AE [0,1,0,1,0,0|2,0,0]=4 109 B11R1.199 CCOC(=O)C1CCCC1O 3350AL [0,1,0,1,0,0|0,0,2]=4 110 B11R1.199 CCOC(=O)[C@H]1CCC[C@@H]1N 6621AJ [0,1,0,1,0,0|0,0,2]=4 111 B11R1.199 CCOC(=O)[C@H]1CCC[C@H]1N 6619AJ [0,1,0,1,0,0|0,0,2]=4 112 B11R1.157 O=C(O)CN1CCOC(=O)C1 9536AD [0,1,0,1,0,0|2,0,0]=4 113 B11R1.645 C=C(C)CC1CC(=O)OC1=O 4039AL [0,1,0,1,0,0|1,0,1]=4 114 B11R1.819 CCOC(=O)C1(N)CCCC1 7735AD [0,1,0,1,0,0|0,0,2]=4 115 B11R1.834 C=CC1CC1(N)C(=O)OCC X5903 [0,1,0,1,0,0|0,0,0]=2