0 B8R0.7 CC#CCNCC(C)C 0456AD [0,0,0,0,0,0|2,0,2]=4 1 B8R0.7 CC(C)CCCCCBr 4961AE [0,0,0,0,0,0|1,0,1]=2 2 B8R0.7 CC(C)CCCCCN 8012AF [0,0,0,0,0,0|1,0,1]=2 3 B8R0.7 CCCCCCC(C)C 5738AL [0,0,0,0,0,0|1,0,1]=2 4 B8R0.7 CCCCOCC(C)C AMTGC740 [0,0,0,0,0,0|2,0,1]=3 5 B8R0.7 CN(C)CCCN=C=S 8962AD [0,0,0,0,0,0|2,1,1]=4 6 B7R0.1 C=CC\C=C\CCC 4639AL [1,0,0,0,0,0|1,0,2]=4 7 B7R0.1 CCCCCCNC Y1198 [1,0,0,0,0,0|2,0,0]=3 8 B7R0.1 CCCCNCCC 6811AD [1,0,0,0,0,0|2,0,1]=4 9 B7R0.1 CC\C=C/CCC=O 8476AJ [1,0,0,0,0,0|0,0,2]=3 10 B7R0.1 COCCCCCBr Y7509 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.1 COCOCCC=O 5717AJ [1,0,0,0,0,0|2,0,0]=3 12 B7R0.4 CC(C)NCCCN 0603AE [1,0,0,0,0,0|2,0,0]=3 13 B7R0.4 CC(O)CCCCO 7560AF [1,0,0,0,0,0|1,0,1]=3 14 B7R0.4 CCCCC[C@@H](C)N Z2122 [1,0,0,0,0,0|1,0,1]=3 15 B7R0.4 CN(C)CCCC=O 5485AH [1,0,0,0,0,0|1,0,0]=2 16 B7R0.4 CN(C)CCNC=O 1239AC [1,0,0,0,0,0|2,0,0]=3 17 B9R0.1 CCC(C)CCCC(C)C 5421AL [0,1,0,0,0,0|1,0,1]=3 18 B9R0.46 C=CCCCCC(=O)OC 0116AQ [0,1,0,0,0,0|2,0,1]=4 19 B9R0.46 CCCCCCC(C)CC 6115AL [0,1,0,0,0,0|1,0,1]=3 20 B9R0.46 CC[C@H](C)CCCCCO 4206AL [0,1,0,0,0,0|0,0,2]=3 21 B9R0.46 OCCCCCC(O)CO 4414AL [0,1,0,0,0,0|1,0,2]=4 22 B9R0.55 CC(C)NCCCN(C)C 9328AH [0,1,0,0,0,0|3,0,0]=4 23 B9R1.2 CN1CCCC(C=O)C1 Z2329 [0,0,0,1,0,0|1,0,0]=2 24 B9R1.2 N#C[C@@H]1CCC[C@H](N)C1 4161AD [0,0,0,1,0,0|2,0,1]=4 25 B9R1.6 CC(C)[C@@H]1CNCCN1 4020AA [0,0,0,1,0,0|2,0,1]=4 26 B9R1.6 CC(C)[C@H]1CNCCN1 X9850 [0,0,0,1,0,0|2,0,1]=4 27 B9R1.6 CN(C)[C@@H]1CCCNC1 Z2127 [0,0,0,1,0,0|3,0,0]=4 28 B9R1.6 CN(C)[C@H]1CCCNC1 Z2163 [0,0,0,1,0,0|3,0,0]=4 29 B9R1.13 CC(C)OC1CCNC1 2309AJ [0,0,0,1,0,0|3,0,0]=4 30 B9R1.13 CC(C)O[C@H]1CCNC1 9170AH [0,0,0,1,0,0|3,0,0]=4 31 B9R1.13 CN(C)C[C@@H]1CCCN1 9550AC [0,0,0,1,0,0|2,0,1]=4 32 B9R1.40 CC1(C)CCCCC1=O X4695 [0,0,0,1,0,0|0,0,0]=1 33 B9R1.40 CC1(C)CNCCC1=O 7548AA [0,0,0,1,0,0|1,0,0]=2 34 B9R1.40 CN1CCNCC1(C)C 9566AH [0,0,0,1,0,0|3,0,0]=4 35 B9R1.41 CC(C)C1CCCC1=O S802 [0,0,0,1,0,0|0,0,0]=1 36 B9R1.77 CC1(C)C[C@@H]1CCCBr 5624AA [0,0,0,1,0,0|1,0,1]=3 37 B9R1.148 CC1(C)CNCCCO1 3679AD [0,0,0,1,0,0|1,0,2]=4 38 B9R1.148 CC1(C)CNCCNC1 3361AJ [0,0,0,1,0,0|3,0,0]=4 39 B6R0.6 CCCSCCN 1695AE [2,0,0,0,0,0|2,0,0]=4 40 B6R0.6 COCCCC=O Y8222 [2,0,0,0,0,0|1,0,0]=3 41 B6R0.4 CC(N)CCCN U481 [2,0,0,0,0,0|2,0,0]=4 42 B6R0.4 CCOCC(C)N 0535AD [2,0,0,0,0,0|2,0,0]=4 43 B8R0.1 CCCCC(O)CCC 7995AF [1,1,0,0,0,0|1,0,1]=4 44 B8R0.1 CCCC[C@H](N)CCO 2562AA [1,1,0,0,0,0|0,0,2]=4 45 B8R0.1 CCOC(=O)CCC=O Y1687 [1,1,0,0,0,0|1,0,1]=4 46 B8R0.4 CCCCCC\C=C\I 0029AQ [1,1,0,0,0,0|1,0,0]=3 47 B8R0.4 O=CCCCCCC=O 7540AB [1,1,0,0,0,0|0,0,1]=3 48 B8R0.4 O=CCCCCCCBr 3685AJ [1,1,0,0,0,0|0,0,0]=2 49 B8R0.6 CCCCCC(C)CC 6116AL [1,1,0,0,0,0|1,0,1]=4 50 B8R0.6 CCCCCC(O)CCl 7654AB [1,1,0,0,0,0|1,0,1]=4 51 B8R0.6 CC[C@H](C)CCCCO 4205AL [1,1,0,0,0,0|0,0,2]=4 52 B8R0.5 CCCC(=O)CC(C)C 9453AB [1,1,0,0,0,0|0,0,2]=4 53 B8R0.9 CC(C)OCC(O)CN 9962AD [1,1,0,0,0,0|2,0,0]=4 54 B8R0.28 C=C(C)CCCC(C)C 5416AL [1,1,0,0,0,0|0,0,1]=3 55 B8R0.28 C\C(Br)=C/CCC(C)C 4781AJ [1,1,0,0,0,0|1,0,1]=4 56 B10R0.3 CC(C)=CCC[C@@H](C)CC=O E470 [0,2,0,0,0,0|0,0,1]=3 57 B10R0.44 C=CC(=C)CC(O)CC(C)C 7381AJ [0,2,0,0,0,0|1,0,1]=4 58 B10R0.98 CC(C)CCC[C@H](N)C(=O)O 3499AB [0,2,0,0,0,0|0,0,0]=2 59 B10R0.55 CCC(=O)CCCCC(=O)O 3107AE [0,2,0,0,0,0|1,0,1]=4 60 B10R0.97 CC(C)CCNCCC(C)C 7668AL [0,2,0,0,0,0|1,0,1]=4 61 B10R0.28 CC(C)(C)OC(=O)CCC=O X3538 [0,2,0,0,0,0|1,0,1]=4 62 B10R0.96 CC(=O)CCC(=O)OC(C)C 3475AL [0,2,0,0,0,0|1,0,1]=4 63 B8R1.2 BrC=C1CCCCC1 0651AQ [1,0,0,1,0,0|1,0,1]=4 64 B8R1.2 COC1C=CCCC1 6080AL [1,0,0,1,0,0|2,0,0]=4 65 B8R1.2 O=CC1CCNCC1 Y9263 [1,0,0,1,0,0|1,0,0]=3 66 B8R1.5 C[C@@H]1CCCC[C@@H]1N 8411AH [1,0,0,1,0,0|1,0,1]=4 67 B8R1.5 C[C@H]1CCCC[C@@H]1O 9211AL [1,0,0,1,0,0|0,0,2]=4 68 B8R1.5 C[C@H]1CCCC[C@H]1N 8370AH [1,0,0,1,0,0|1,0,1]=4 69 B8R1.5 C[C@H]1CCCC[C@H]1N 8371AH [1,0,0,1,0,0|1,0,1]=4 70 B8R1.5 NC1CCCCC1=O Y8332 [1,0,0,1,0,0|1,0,0]=3 71 B8R1.5 O=C1CCCCC1F Z5041 [1,0,0,1,0,0|1,0,0]=3 72 B8R1.5 O=C1NCCC[C@H]1O 1192AB [1,0,0,1,0,0|2,0,0]=4 73 B8R1.5 O=C1OCCCC1O Y3190 [1,0,0,1,0,0|2,0,0]=4 74 B8R1.8 BrCCC1CCCC1 9860AA [1,0,0,1,0,0|1,0,1]=4 75 B8R1.8 O=CCC1OCCO1 5104AC [1,0,0,1,0,0|2,0,0]=4 76 B8R1.22 O=C1COCCCN1 1535AL [1,0,0,1,0,0|2,0,0]=4 77 B8R1.36 CCCCCC1CO1 4463AL [1,0,0,1,0,0|0,0,2]=4 78 B8R1.4 CC1CCCC(=O)N1 6454AJ [1,0,0,1,0,0|1,0,0]=3 79 B8R1.4 CC1CCNC(=O)N1 V4468 [1,0,0,1,0,0|2,0,0]=4 80 B8R1.4 CC1CCNC(C)C1 W9513 [1,0,0,1,0,0|1,0,1]=4 81 B8R1.4 CN1CCCC(Br)C1 Z2702 [1,0,0,1,0,0|2,0,0]=4 82 B8R1.4 C[C@@H]1COCC(=O)N1 3435AA [1,0,0,1,0,0|2,0,0]=4 83 B8R1.4 C[C@H]1C[C@@H](O)CCO1 2705AC [1,0,0,1,0,0|1,0,1]=4 84 B8R1.4 C[C@H]1C[C@H](O)CCO1 8425AA [1,0,0,1,0,0|1,0,1]=4 85 B8R1.4 NC1CCCC(F)C1 5333AA [1,0,0,1,0,0|2,0,0]=4 86 B8R1.4 NC1CCNC(=O)C1 X9664 [1,0,0,1,0,0|2,0,0]=4 87 B8R1.4 N[C@@H]1CCC[C@H](O)C1 8414AH [1,0,0,1,0,0|1,0,1]=4 88 B8R1.4 N[C@H]1CCC[C@@H](O)C1 8379AH [1,0,0,1,0,0|1,0,1]=4 89 B8R1.4 N[C@H]1CCC[C@H](O)C1 8418AH [1,0,0,1,0,0|1,0,1]=4 90 B8R1.6 CN1CC(CCO)C1 5810AA [1,0,0,1,0,0|1,0,1]=4 91 B8R1.7 CC(C)C1CCCC1 8114AL [1,0,0,1,0,0|0,0,1]=3 92 B8R1.7 C[C@H](N)C1CCCC1 8399AH [1,0,0,1,0,0|1,0,1]=4 93 B8R1.19 CC1(Br)CCOC1=O 0648AQ [1,0,0,1,0,0|2,0,0]=4 94 B10R1.13 CC(C)[C@@H]1C=CC(=O)CC1 0975AB [0,1,0,1,0,0|1,0,1]=4 95 B10R1.13 CC(C)[C@H]1CC[C@@H](C)CC1 7419AL [0,1,0,1,0,0|1,0,1]=4 96 B10R1.13 CC(C)[C@H]1CC[C@H](O)CC1 9231AL [0,1,0,1,0,0|1,0,1]=4 97 B10R1.54 CN1CCC(CC(=O)O)C1 1504AA [0,1,0,1,0,0|1,0,0]=3 98 B10R1.54 N[C@@H]1CCN(CC(=O)O)C1 8924AH [0,1,0,1,0,0|2,0,0]=4 99 B10R1.54 N[C@H]1CCN(CC(=O)O)C1 9075AH [0,1,0,1,0,0|2,0,0]=4 100 B10R1.54 O=C(O)CC1CCC(O)C1 1109AJ [0,1,0,1,0,0|1,0,0]=3 101 B10R1.54 O=C(O)CN1CCC(O)C1 3125AA [0,1,0,1,0,0|2,0,0]=4 102 B10R1.54 O=C(O)CN1CC[C@H](O)C1 Z2136 [0,1,0,1,0,0|2,0,0]=4 103 B10R1.18 CC(C)CC1CNCCN1 W8832 [0,1,0,1,0,0|1,0,1]=4 104 B10R1.18 CC(C)CC1CNCCO1 5678AC [0,1,0,1,0,0|0,0,2]=4 105 B10R1.18 CC(C)C[C@@H]1CNCCN1 W8809 [0,1,0,1,0,0|1,0,1]=4 106 B10R1.18 CC(C)C[C@@H]1CNCCO1 1601AC [0,1,0,1,0,0|0,0,2]=4 107 B10R1.18 CC(C)C[C@H]1CNCCN1 4557AA [0,1,0,1,0,0|1,0,1]=4 108 B10R1.18 CC(C)C[C@H]1CNCCO1 5431AA [0,1,0,1,0,0|0,0,2]=4 109 B10R1.38 CC1(C)NCCCC1C#N 4045AD [0,1,0,1,0,0|1,0,1]=4 110 B10R1.39 CC(C)N1CCCC1CN 8596AD [0,1,0,1,0,0|1,0,1]=4 111 B10R1.61 CC(=O)N1CCCCC1=O W5499 [0,1,0,1,0,0|1,0,1]=4 112 B10R1.64 CC(C)\N=C1/CCCC1=O 6822AE [0,1,0,1,0,0|0,0,1]=3 113 B10R1.66 CC(C)NCC1CCCO1 4479AE [0,1,0,1,0,0|0,0,2]=4 114 B10R1.66 CC(C)OCC1CCNC1 1568AD [0,1,0,1,0,0|2,0,0]=4 115 B10R1.8 CC1CC(C=O)CC(C)O1 1418AJ [0,1,0,1,0,0|1,0,0]=3 116 B10R1.65 O=C1CCCC1C(F)(F)F 6461AC [0,1,0,1,0,0|2,0,0]=4 117 B10R1.1 CN1CCC(CC=O)CC1 0804AA [0,1,0,1,0,0|1,0,0]=3 118 B10R1.113 CC(C)C1CC(O)CCN1 1752AJ [0,1,0,1,0,0|1,0,1]=4 119 B10R1.113 CC(C)N1CCCC(=O)C1 W8425 [0,1,0,1,0,0|1,0,0]=3 120 B10R1.113 CC1CCCC(C(=O)O)C1 6026AA [0,1,0,1,0,0|0,0,0]=2 121 B10R1.113 CC1CCCN(C(=N)N)C1 0209AD [0,1,0,1,0,0|2,0,0]=4 122 B10R1.113 CN1CCCC(C(N)=O)C1 5699AB [0,1,0,1,0,0|1,0,0]=3 123 B10R1.113 CN1CCNC(C(=O)O)C1 2893AJ [0,1,0,1,0,0|2,0,0]=4 124 B10R1.113 NC(=O)[C@@H]1CCC[C@@H](N)C1 3253AF [0,1,0,1,0,0|1,0,0]=3 125 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 4020AL [0,1,0,1,0,0|1,0,0]=3 126 B10R1.113 O=C(O)C1CC(O)CCN1 6950AA [0,1,0,1,0,0|2,0,0]=4 127 B10R1.113 O=C(O)[C@H]1C[C@@H](O)CCN1 8222AA [0,1,0,1,0,0|2,0,0]=4 128 B10R1.128 CC1(C)CNCC1C(=O)O 2274AB [0,1,0,1,0,0|1,0,0]=3 129 B10R1.128 CC1(C)CNC[C@@H]1C(=O)O 8671AH [0,1,0,1,0,0|1,0,0]=3 130 B10R2.71 ClC1=CC2CCC(C1)C2 1365AQ [0,0,0,2,0,0|1,0,1]=4 131 B10R2.99 NCC1CC2CCC1C2 4332AD [0,0,0,2,0,0|1,0,1]=4 132 B10R2.15 NC1CCCCC12CC2 4500AJ [0,0,0,2,0,0|1,0,1]=4 133 B10R2.15 O=C1CCCCC12CC2 4501AJ [0,0,0,2,0,0|0,0,0]=2 134 B10R2.15 O=C1CCOCC12CC2 3294AJ [0,0,0,2,0,0|1,0,0]=3