0 B8R0.7 C=C(Br)CCCCCC 3761AD [0,0,0,0,0,0|2,0,2]=4 1 B8R0.7 CCCCC#CC(=O)O 5639AL [0,0,0,0,0,0|0,0,2]=2 2 B8R0.7 CCCCCC[N+](=O)[O-] 7544AF [0,0,0,0,0,0|1,0,3]=4 3 B7R0.1 C=CC\C=C\CCC 4639AL [1,0,0,0,0,0|1,0,2]=4 4 B7R0.1 CC\C=C/CCCC 7443AL [1,0,0,0,0,0|1,0,1]=3 5 B7R0.4 CCC\C=C\B(O)O X4901 [1,0,0,0,0,0|1,0,1]=3 6 B7R0.4 C\C=C\C=C\C(=O)Cl Y2082 [1,0,0,0,0,0|1,0,2]=4 7 B7R0.4 C\C=C\C=C\C(C)=O 5332AL [1,0,0,0,0,0|1,0,2]=4 8 B7R0.4 NCCNCC(=O)O W4767 [1,0,0,0,0,0|2,0,1]=4 9 B9R0.4 CCCCC(C)CC(=O)O 7656AB [0,1,0,0,0,0|0,0,2]=3 10 B9R0.47 NC(CCCCO)C(=O)O 3217AB [0,1,0,0,0,0|1,0,2]=4 11 B9R0.47 N[C@@H](CCCCO)C(=O)O 8990AB [0,1,0,0,0,0|1,0,2]=4 12 B9R0.47 O=C(O)C(Br)CCCCBr 5812AA [0,1,0,0,0,0|1,0,2]=4 13 B9R0.48 CCCC(=O)CCC(=O)O 3321AF [0,1,0,0,0,0|0,0,3]=4 14 B9R1.2 CCC1CCCC(=O)N1 7643AB [0,0,0,1,0,0|1,0,2]=4 15 B9R1.6 O=C(O)C1=CCCNC1 Y1163 [0,0,0,1,0,0|1,0,0]=2 16 B9R1.6 O=C(O)C1=CCNCC1 7359AE [0,0,0,1,0,0|1,0,0]=2 17 B9R1.6 O=C(O)C1CNCCS1 3882AD [0,0,0,1,0,0|2,0,1]=4 18 B9R1.6 O=C(O)C1CSCCN1 Z5417 [0,0,0,1,0,0|2,0,1]=4 19 B9R1.6 O=C(O)[C@@H]1CNCCO1 7772AA [0,0,0,1,0,0|2,0,1]=4 20 B9R1.6 O=C([O-])C1CCCCC1 6421AA [0,0,0,1,0,0|0,0,3]=4 21 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O 5394AA [0,0,0,1,0,0|1,0,2]=4 22 B9R1.50 NC1C=CCCCCC1 5931AD [0,0,0,1,0,0|2,0,1]=4 23 B9R1.84 O=[N+]([O-])\C=C\C1CCC1 0885AA [0,0,0,1,0,0|1,0,1]=3 24 B6R0.6 COCCCC=O Y8222 [2,0,0,0,0,0|1,0,1]=4 25 B6R0.4 CCCC[Sn](=O)O 8518AL [2,0,0,0,0,0|1,0,0]=3 26 B6R0.4 C\C=C\CC(=O)O 6149AL [2,0,0,0,0,0|0,0,2]=4 27 B8R0.4 CCCCCC\C=C\I 0029AQ [1,1,0,0,0,0|1,0,1]=4 28 B8R0.4 O=CCCCCCCBr 3685AJ [1,1,0,0,0,0|0,0,2]=4 29 B8R0.8 CCCOC(C)C(=O)O 5764AE [1,1,0,0,0,0|1,0,1]=4 30 B8R0.8 CSCCC(O)C(=O)O 5652AL [1,1,0,0,0,0|1,0,1]=4 31 B8R0.28 CC(=O)C\C=C\C(=O)O 7022AA [1,1,0,0,0,0|0,0,1]=3 32 B8R0.28 C\C(Br)=C/CCC(C)C 4781AJ [1,1,0,0,0,0|2,0,0]=4 33 B8R0.28 O=C(O)\C=C\CC(=O)O C638 [1,1,0,0,0,0|1,0,1]=4 34 B10R0.98 CC(C)CCC[C@H](N)C(=O)O 3499AB [0,2,0,0,0,0|0,0,2]=4 35 B10R0.4 O=C(O)CCCCCCCO 1908AC [0,2,0,0,0,0|0,0,2]=4 36 B10R0.4 O=C(O)CCCCCCCS 0512AQ [0,2,0,0,0,0|0,0,2]=4 37 B10R0.4 O=C(O)COCCOCCO X3816 [0,2,0,0,0,0|1,0,1]=4 38 B10R0.55 CCC(=O)CCCCC(=O)O 3107AE [0,2,0,0,0,0|0,0,2]=4 39 B10R0.1 CCOC(=O)\C=C\CCCCl 3021AL [0,2,0,0,0,0|1,0,0]=3 40 B8R1.2 BrC=C1CCCCC1 0651AQ [1,0,0,1,0,0|1,0,1]=4 41 B8R1.2 BrCC1=CCCCC1 1457AL [1,0,0,1,0,0|1,0,1]=4 42 B8R1.2 NCC1CCC=CO1 2289AL [1,0,0,1,0,0|1,0,1]=4 43 B8R1.8 BrCCC1=CC=CO1 1031AJ [1,0,0,1,0,0|1,0,1]=4 44 B8R1.1 O=C1C=C[C@@H](CO)O1 N842 [1,0,0,1,0,0|1,0,0]=3 45 B8R1.1 O=C1CCC(CBr)O1 3312AH [1,0,0,1,0,0|1,0,1]=4 46 B8R1.1 O=C1CCC(CCl)O1 2512AE [1,0,0,1,0,0|1,0,1]=4 47 B8R1.1 O=C1CC[C@H](CO)O1 B249 [1,0,0,1,0,0|1,0,1]=4 48 B8R1.4 CC1CCCC(=O)N1 6454AJ [1,0,0,1,0,0|1,0,1]=4 49 B8R1.4 CC1CCNC(=O)N1 V4468 [1,0,0,1,0,0|2,0,0]=4 50 B8R1.7 NC(=O)N1CCCC1 4081AE [1,0,0,1,0,0|2,0,0]=4 51 B8R1.31 CC1CCC1C(=O)O 5817AB [1,0,0,1,0,0|0,0,1]=3 52 B8R1.34 CC(=O)C=C1CCC1 0333AC [1,0,0,1,0,0|1,0,0]=3 53 B8R1.34 O=C(O)CN1CCC1 1240AJ [1,0,0,1,0,0|1,0,1]=4 54 B8R1.34 O=C(O)CN1CCC1 9681AH [1,0,0,1,0,0|1,0,1]=4 55 B10R1.13 O=C(O)[C@@H]1CC[C@@H](O)CN1 8584AH [0,1,0,1,0,0|1,0,1]=4 56 B10R1.31 CCC1=NC=C(C(=O)O)O1 1708AJ [0,1,0,1,0,0|1,0,1]=4 57 B10R1.54 N[C@@H]1CCN(CC(=O)O)C1 8924AH [0,1,0,1,0,0|1,0,1]=4 58 B10R1.54 N[C@H]1CCN(CC(=O)O)C1 9075AH [0,1,0,1,0,0|1,0,1]=4 59 B10R1.54 O=C(O)CC1CCC(O)C1 1109AJ [0,1,0,1,0,0|0,0,2]=4 60 B10R1.54 O=C(O)CN1CCC(O)C1 3125AA [0,1,0,1,0,0|1,0,1]=4 61 B10R1.54 O=C(O)CN1CC[C@H](O)C1 Z2136 [0,1,0,1,0,0|1,0,1]=4 62 B10R1.153 CNC(=O)\C=C\CC1CC1 3584AA [0,1,0,1,0,0|1,0,0]=3 63 B10R1.16 CC1=NOC(CCCO)=C1 X6519 [0,1,0,1,0,0|2,0,0]=4 64 B10R1.16 CCCCN1C=CC(N)=N1 8995AE [0,1,0,1,0,0|2,0,0]=4 65 B10R1.18 O=C(O)C=C1CCNCC1 4458AJ [0,1,0,1,0,0|0,0,0]=2 66 B10R1.61 CC(=O)N1CCCCC1=O W5499 [0,1,0,1,0,0|2,0,0]=4 67 B10R1.61 CC1=CCC=CC1C(=O)O 0416AQ [0,1,0,1,0,0|0,0,2]=4 68 B10R1.61 CC1CCCCC1C(=O)O 2112AL [0,1,0,1,0,0|0,0,2]=4 69 B10R1.61 CC1NCCCC1C(=O)O 1812AJ [0,1,0,1,0,0|0,0,2]=4 70 B10R1.61 NC(=O)C1CCCCC1=O 1458AB [0,1,0,1,0,0|1,0,1]=4 71 B10R1.61 O=C(O)C1CNCCC1=O 1103AB [0,1,0,1,0,0|1,0,1]=4 72 B10R1.61 O=C(O)[C@H]1NCCC[C@@H]1O Z1639 [0,1,0,1,0,0|1,0,1]=4 73 B10R1.61 [C@@H]1(N)CCCC[C@H]1C(=O)O 0075AP [0,1,0,1,0,0|0,0,2]=4 74 B10R1.64 CC1CCCC1CC(=O)O Y7155 [0,1,0,1,0,0|0,0,2]=4 75 B10R1.64 CN1CCC\C1=C/[N+](=O)[O-] 3994AF [0,1,0,1,0,0|1,0,1]=4 76 B10R1.64 O=C(O)\C=C1/CCCC1=O 4938AC [0,1,0,1,0,0|0,0,1]=3 77 B10R1.66 O=C(O)CC[C@@H]1CCCN1 9638AB [0,1,0,1,0,0|0,0,2]=4 78 B10R1.348 O=C(O)C1CNCCCO1 5563AJ [0,1,0,1,0,0|1,0,1]=4 79 B10R1.15 COC(=O)[C@@H]1CCCCN1 5103AC [0,1,0,1,0,0|1,0,1]=4 80 B10R1.23 CC(C(=O)O)N1CCCC1 8686AC [0,1,0,1,0,0|1,0,1]=4 81 B10R1.23 C[C@@H](C(=O)O)N1CCCC1 4842AJ [0,1,0,1,0,0|1,0,1]=4 82 B10R1.113 CC1CCCC(C(=O)O)C1 6026AA [0,1,0,1,0,0|0,0,2]=4 83 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 4020AL [0,1,0,1,0,0|0,0,2]=4 84 B10R1.113 O=C(O)C1CC(O)CCN1 6950AA [0,1,0,1,0,0|1,0,1]=4 85 B10R1.113 O=C(O)[C@H]1C[C@@H](O)CCN1 8222AA [0,1,0,1,0,0|1,0,1]=4 86 B10R1.204 NC(CC1CCC1)C(=O)O 6096AB [0,1,0,1,0,0|0,0,2]=4 87 B10R1.363 CC1(C(=O)O)CCCCO1 2984AE [0,1,0,1,0,0|1,0,1]=4 88 B10R1.363 C[C@@]1(C(=O)O)CCCCN1 2973AH [0,1,0,1,0,0|1,0,1]=4 89 B10R1.363 C[C@]1(C(=O)O)CCCCN1 2920AH [0,1,0,1,0,0|1,0,1]=4 90 B10R2.355 O=C(O)C1NCC2CC21 2663AB [0,0,0,2,0,0|1,0,1]=4 91 B10R2.355 O=C(O)[C@H]1NC[C@H]2C[C@H]21 3870AB [0,0,0,2,0,0|1,0,1]=4