0 B8R1.18 CC1=C(C)OC(N)=N1 6278AB [0,0,0,0,0,0|1,0,2]=3 1 B8R1.18 CC1=CC(S)=C(C)O1 U424 [0,0,0,0,0,0|2,0,2]=4 2 B8R1.18 CC1=NC(Br)=NN1C 5747AE [0,0,0,0,0,0|3,0,1]=4 3 B8R1.18 CC1=NC(Cl)=NN1C 5748AE [0,0,0,0,0,0|3,0,1]=4 4 B8R1.18 CC1=NC(N)=NN1C 1073AE [0,0,0,0,0,0|3,0,1]=4 5 B8R1.18 CC1=NN(C)C(Cl)=N1 5750AE [0,0,0,0,0,0|3,0,1]=4 6 B8R1.18 CC1=NN(C)C=C1Cl 5020AD [0,0,0,0,0,0|3,0,1]=4 7 B8R1.18 CC1=NN(C)N=C1Br 6070AC [0,0,0,0,0,0|3,0,1]=4 8 B8R1.18 CC1CC(Br)C(=O)O1 1181AQ [0,0,0,0,0,0|4,0,0]=4 9 B7R1.2 CC1=COC(C)=N1 5323AL [1,0,0,0,0,0|0,0,2]=3 10 B7R1.2 CC1=NN(C)N=C1 8968AB [1,0,0,0,0,0|2,0,1]=4 11 B7R1.2 CC1=NN=C(C)O1 Z4081 [1,0,0,0,0,0|1,0,2]=4 12 B7R1.2 CC1=NOC(N)=N1 1713AE [1,0,0,0,0,0|2,0,1]=4 13 B7R1.2 CC1CCC(C)O1 Z5431 [1,0,0,0,0,0|1,0,1]=3 14 B7R1.2 NC1=NC(=O)CO1 9344AA [1,0,0,0,0,0|2,0,1]=4 15 B7R1.4 CC1=C(C)OC=N1 X5138 [1,0,0,0,0,0|0,0,2]=3 16 B7R1.4 CC1=CCOC1=O 7576AD [1,0,0,0,0,0|2,0,1]=4 17 B9R1.22 CC1=NC(C)=C(C=O)O1 0653AC [0,1,0,0,0,0|0,0,3]=4 18 B9R1.22 CC1=NC(C)=C(CO)O1 7282AD [0,1,0,0,0,0|0,0,2]=3 19 B9R1.22 CC1=NC(C)=C(CO)S1 W6569 [0,1,0,0,0,0|0,1,2]=4 20 B9R1.22 CC1=NC(C=O)=C(C)O1 Y4728 [0,1,0,0,0,0|0,0,3]=4 21 B9R1.22 CC1=NC(CCl)=C(C)O1 Y4075 [0,1,0,0,0,0|0,0,2]=3 22 B9R1.22 CC1=NN(C)C=C1CN 3406AA [0,1,0,0,0,0|2,0,1]=4 23 B9R1.37 CC1=NC(C)=C(C)N1C 4404AL [0,1,0,0,0,0|1,0,2]=4 24 B7R0.2 C=CC(C)OC(C)=O 6010AL [0,0,1,0,0,0|1,0,2]=4 25 B7R0.2 CCC(C)CC(C)C 5322AL [0,0,1,0,0,0|2,0,1]=4 26 B7R0.5 CCCC(=O)C(C)C 5712AL [0,0,1,0,0,0|3,0,0]=4 27 B7R0.5 CCNC(=O)C(C)Cl 7969AE [0,0,1,0,0,0|2,0,1]=4 28 B7R0.5 CCNC(=O)C(C)N 8428AC [0,0,1,0,0,0|2,0,1]=4 29 B7R0.5 CCNC(C)C(N)=O 7697AD [0,0,1,0,0,0|2,0,1]=4 30 B7R0.5 CCOC(=N)C(C)C 8345AC [0,0,1,0,0,0|3,0,0]=4 31 B7R0.5 CCSC(C)C(=O)O 6924AD [0,0,1,0,0,0|2,1,0]=4 32 B9R2.39 BrC1=CC2CCC1C2 V7347 [0,0,0,1,0,0|3,0,0]=4 33 B9R1.34 CC1CC(=O)CC(C)N1 1417AJ [0,0,0,0,0,1|3,0,0]=4 34 B9R1.34 CC1CC(C)CC(C)C1 4493AL [0,0,0,0,0,1|2,0,1]=4 35 B9R1.34 CC1CC(O)CC(C)O1 0633AE [0,0,0,0,0,1|2,0,1]=4 36 B9R1.69 CC1CCC(C)C(=O)C1 5379AL [0,0,0,0,0,1|3,0,0]=4 37 B9R1.69 CC1CCC(C)C(C)C1 4409AL [0,0,0,0,0,1|2,0,1]=4 38 B6R0.1 C=CC(C)CCC 6092AL [1,0,1,0,0,0|1,0,1]=4 39 B6R0.1 CCCC(C)CC 7810AF [1,0,1,0,0,0|1,0,1]=4 40 B6R0.1 CCCC(C)CO 1207AA [1,0,1,0,0,0|1,0,1]=4 41 B6R0.1 CCNC(C)CC 7145AD [1,0,1,0,0,0|0,0,2]=4 42 B6R0.1 CCNC(C)CO 8218AD [1,0,1,0,0,0|0,0,2]=4 43 B6R0.1 CCOC(=N)CC 8352AC [1,0,1,0,0,0|2,0,0]=4 44 B6R0.1 CCOC(C)CC 8956AL [1,0,1,0,0,0|0,0,1]=3 45 B6R0.1 CCOC(C)CN 0082AD [1,0,1,0,0,0|0,0,2]=4 46 B6R0.1 CCSC(=O)CC 8960AL [1,0,1,0,0,0|2,0,0]=4 47 B6R0.1 CC[C@H](C)CCO 4202AL [1,0,1,0,0,0|1,0,1]=4 48 B6R0.1 CNCC(C)OC 1691AF [1,0,1,0,0,0|2,0,0]=4 49 B6R0.2 CC(C)=NN(C)C 6998AL [1,0,1,0,0,0|2,0,0]=4 50 B6R0.2 CC(C)CC(C)Br 3157AB [1,0,1,0,0,0|2,0,0]=4 51 B6R0.2 CC(C)CC(C)C 7809AF [1,0,1,0,0,0|2,0,0]=4 52 B6R0.4 C=C(C)CCCC 5699AL [1,0,1,0,0,0|2,0,0]=4 53 B6R0.4 CCCCC(C)O 9467AB [1,0,1,0,0,0|1,0,1]=4 54 B6R0.4 CCOCC(C)N 0535AD [1,0,1,0,0,0|0,0,2]=4 55 B6R0.3 CCC(=O)C(C)Br 5539AL [1,0,1,0,0,0|2,0,0]=4 56 B6R0.3 CCC(=O)C(C)S 5675AL [1,0,1,0,0,0|1,1,0]=4 57 B6R0.3 CCC(C)C(C)=O U423 [1,0,1,0,0,0|1,0,0]=3 58 B6R0.3 CCC(C)C(C)C 5239AL [1,0,1,0,0,0|1,0,1]=4 59 B6R0.3 CCC(S)C(C)=O 9471AJ [1,0,1,0,0,0|2,0,0]=4 60 B6R0.3 CCN(C)C(=N)N 8784AC [1,0,1,0,0,0|2,0,0]=4 61 B6R0.3 CC[C@@H](C)C(=O)O 1204AL [1,0,1,0,0,0|2,0,0]=4 62 B6R0.3 CC[C@@H](C)C(N)=O 5046AB [1,0,1,0,0,0|1,0,1]=4 63 B6R0.3 CSC(C)C(C)=O 6125AL [1,0,1,0,0,0|1,1,0]=4 64 B6R0.6 CCCCOCC 7302AL [1,0,1,0,0,0|1,0,1]=4 65 B6R0.6 CCOCCNC 5385AD [1,0,1,0,0,0|2,0,0]=4 66 B6R0.6 C\C=C/CCCC 7422AL [1,0,1,0,0,0|2,0,0]=4 67 B6R0.6 C\C=C\CCCC 7780AF [1,0,1,0,0,0|2,0,0]=4 68 B6R1.2 CC1=CCCC1 9313AJ [2,0,0,0,0,0|2,0,0]=4 69 B6R1.2 CC1=CCCO1 0728AQ [2,0,0,0,0,0|1,0,1]=4 70 B6R1.2 CC1=NNCC1 6440AD [2,0,0,0,0,0|2,0,0]=4 71 B6R1.2 CC1CCOC1 6124AL [2,0,0,0,0,0|1,0,1]=4 72 B6R1.2 CC1COCO1 6593AL [2,0,0,0,0,0|1,0,1]=4 73 B6R1.2 CC1OCCO1 7260AF [2,0,0,0,0,0|1,0,1]=4 74 B8R0.19 CCC(C)OC(C)CC 8955AL [0,1,1,0,0,0|1,0,1]=4 75 B8R0.8 CC(O)C(=O)NCCO 8324AL [0,1,1,0,0,0|1,0,1]=4 76 B8R0.8 CCCOC(=O)[C@H](C)O 7652AB [0,1,1,0,0,0|2,0,0]=4 77 B8R0.8 CCCOC(C)C(=O)O 5764AE [0,1,1,0,0,0|2,0,0]=4 78 B8R0.14 CCCC(C)C(C)(C)O 7989AF [0,1,1,0,0,0|1,0,1]=4 79 B8R0.22 CCOC(CI)OCC 4776AE [0,1,1,0,0,0|1,0,1]=4 80 B8R1.1 CC1=NC(CBr)=NO1 4500AF [1,1,0,0,0,0|1,0,1]=4 81 B8R1.1 CC1=NC(CO)=NO1 8569AD [1,1,0,0,0,0|1,0,1]=4 82 B8R1.1 CC1=NC=C(CO)O1 8519AH [1,1,0,0,0,0|0,0,2]=4 83 B8R1.1 CC1=NOC(CN)=N1 8442AD [1,1,0,0,0,0|1,0,1]=4 84 B8R1.1 CC1=NOC(CN)C1 0418AD [1,1,0,0,0,0|2,0,0]=4 85 B8R1.1 CCC1CSC(C)=N1 5718AL [1,1,0,0,0,0|2,0,0]=4 86 B8R1.51 CC1(C)OCC(=O)O1 5725AB [1,1,0,0,0,0|2,0,0]=4 87 B8R1.51 CC1COC(C)(C)O1 5088AL [1,1,0,0,0,0|1,0,1]=4 88 B8R1.4 CC1CCOC(C)O1 5310AL [0,0,1,1,0,0|1,0,1]=4 89 B8R1.4 CN1CCC[C@H](O)C1 Z2139 [0,0,1,1,0,0|2,0,0]=4 90 B8R1.5 CC1OCCNC1=O 5590AJ [0,0,1,1,0,0|1,0,1]=4 91 B8R1.5 C[C@@H]1CCCC[C@@H]1O 7425AL [0,0,1,1,0,0|1,0,1]=4 92 B8R1.7 CC(C)C1=NCCO1 5673AL [0,0,1,1,0,0|2,0,0]=4 93 B8R1.37 CCOC(=O)[C@H]1CO1 3304AL [0,0,1,1,0,0|2,0,0]=4 94 B8R1.8 CCOC1CCNC1 2264AJ [0,0,1,1,0,0|2,0,0]=4 95 B8R1.8 CCOC1CCNC1 6283AB [0,0,1,1,0,0|2,0,0]=4 96 B8R1.8 CCO[C@@H]1CCNC1 8998AH [0,0,1,1,0,0|2,0,0]=4 97 B8R1.8 CCO[C@@H]1CCNC1 V3659 [0,0,1,1,0,0|2,0,0]=4 98 B8R1.8 CCO[C@H]1CCNC1 7072AA [0,0,1,1,0,0|2,0,0]=4 99 B8R2.34 C12CCC(CC1)O2 6894AL [1,0,0,1,0,0|1,0,1]=4 100 B10R2.99 [C@@H]12CC[C@@H](O1)C(CN)C2 4751AD [0,1,0,1,0,0|1,0,1]=4 101 B8R0.9 CCC(C)CCC(C)O 6794AL [0,0,1,0,0,1|1,0,1]=4 102 B8R1.3 CC1CNC(=O)CO1 6453AJ [1,0,0,0,0,1|1,0,1]=4