0 B9R1.7 N#CC[C@@H]1CCC(=O)N1 9252AH [0,0,0,0,0,0|2,0,1]=3 1 B8R1.1 CCN1CCC(=O)C1 0571AA [1,0,0,0,0,0|2,0,0]=3 2 B8R1.1 COC1CCC(=O)N1 W1034 [1,0,0,0,0,0|2,0,0]=3 3 B8R1.1 NC[C@@H]1CCC(=O)N1 7181AA [1,0,0,0,0,0|2,0,0]=3 4 B8R1.1 O=C1C=C[C@@H](CO)O1 N842 [1,0,0,0,0,0|1,0,2]=4 5 B8R1.1 O=C1CCC(CBr)O1 3312AH [1,0,0,0,0,0|1,0,0]=2 6 B8R1.1 O=C1CCC(CCl)O1 2512AE [1,0,0,0,0,0|1,0,0]=2 7 B8R1.1 O=C1CC[C@H](CO)O1 B249 [1,0,0,0,0,0|1,0,0]=2 8 B8R1.8 BrCCC1CCCC1 9860AA [1,0,0,0,0,0|2,0,1]=4 9 B8R1.8 CCNC1CCNC1 5822AL [1,0,0,0,0,0|3,0,0]=4 10 B8R1.8 CCN[C@@H]1CCNC1 4068AL [1,0,0,0,0,0|3,0,0]=4 11 B8R1.8 CCOC1CCNC1 0346AD [1,0,0,0,0,0|3,0,0]=4 12 B8R1.8 COCC1CCNC1 Z2650 [1,0,0,0,0,0|3,0,0]=4 13 B8R1.8 ClCCC1OCCO1 6026AB [1,0,0,0,0,0|2,0,1]=4 14 B8R1.8 NCCC1CCOC1 0563AC [1,0,0,0,0,0|3,0,0]=4 15 B8R1.8 OCCC1CCCN1 1282AJ [1,0,0,0,0,0|2,0,1]=4 16 B8R1.8 OCCC1CCCN1 1283AJ [1,0,0,0,0,0|2,0,1]=4 17 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 1231AL [0,1,0,0,0,0|2,0,1]=4 18 B8R0.1 CCCCC(O)CCC 7995AF [0,0,1,0,0,0|1,0,1]=3 19 B8R0.1 CCOC(=O)CCC=O Y1687 [0,0,1,0,0,0|1,0,2]=4 20 B8R0.6 CCCCCC(C)CC 6116AL [0,0,1,0,0,0|2,0,1]=4 21 B8R0.6 CCCCOC(C)CC AMTGC741 [0,0,1,0,0,0|1,0,1]=3 22 B8R0.6 COCCOC(=O)CCl 7354AL [0,0,1,0,0,0|2,0,0]=3 23 B8R0.7 C=C(Br)CCCCCC 3761AD [0,0,1,0,0,0|2,0,0]=3 24 B8R0.7 CCCCC#CC(=O)O 5639AL [0,0,1,0,0,0|0,0,2]=3 25 B8R0.7 CCCCCCC(C)C 5738AL [0,0,1,0,0,0|2,0,1]=4 26 B8R0.7 CCCCCC[N+](=O)[O-] 7544AF [0,0,1,0,0,0|1,0,1]=3 27 B8R0.7 [N-]=[N+]=NCCCC(=O)O 5328AE [0,0,1,0,0,0|3,0,0]=4 28 B10R2.14 O=C1CC(C2CC2)CN1 X9678 [0,0,0,1,0,0|2,0,0]=3 29 B10R1.1 N#CCC1CCC(=O)CC1 1195AJ [0,0,0,0,0,1|2,0,1]=4 30 B7R0.1 CCCCCCNC Y1198 [1,0,1,0,0,0|2,0,0]=4 31 B7R0.1 CCCCNCCC 6811AD [1,0,1,0,0,0|1,0,1]=4 32 B7R0.1 CC\C=C/CCC=O 8476AJ [1,0,1,0,0,0|0,0,2]=4 33 B7R0.1 CC\C=C/CCCC 7443AL [1,0,1,0,0,0|1,0,0]=3 34 B7R0.1 COCOCCC=O 5717AJ [1,0,1,0,0,0|2,0,0]=4 35 B7R0.3 C=CCCC(O)CCl 0700AA [1,0,1,0,0,0|2,0,0]=4 36 B7R0.3 CCCCC(=O)CCl 6831AD [1,0,1,0,0,0|1,0,0]=3 37 B7R0.3 CNC(=O)CCCO 2742AL [1,0,1,0,0,0|2,0,0]=4 38 B7R0.7 CCC[C@H](N)CCO 0636AC [1,0,1,0,0,0|1,0,1]=4 39 B7R0.7 CCC[C@H](N)CCO 9828AB [1,0,1,0,0,0|1,0,1]=4 40 B7R0.2 CC(=O)OC(Br)CBr V0729 [1,0,1,0,0,0|2,0,0]=4 41 B7R0.2 CC[C@@H](C)CC(=O)O 8695AA [1,0,1,0,0,0|2,0,0]=4 42 B7R0.4 NCCNCC(=O)O W4767 [1,0,1,0,0,0|2,0,0]=4 43 B7R1.1 CCC1OCCO1 8516AD [2,0,0,0,0,0|1,0,1]=4 44 B7R1.2 CC1CNC(=O)C1 X7991 [2,0,0,0,0,0|2,0,0]=4 45 B7R1.2 CC1CNC(=O)O1 8398AC [2,0,0,0,0,0|1,0,0]=3 46 B7R1.2 CC1CSC(=O)S1 0954AB [2,0,0,0,0,0|1,1,0]=4 47 B7R1.2 O=C1CCC(F)C1 3909AA [2,0,0,0,0,0|2,0,0]=4 48 B9R0.35 CCCC(C)C(O)CCC 8147AF [0,1,1,0,0,0|1,0,1]=4 49 B9R0.48 CCCC(=O)CCC(=O)O 3321AF [0,1,1,0,0,0|0,0,2]=4 50 B9R0.24 CCC(=O)CCC(=O)CC 3019AB [0,1,1,0,0,0|1,0,1]=4 51 B9R0.2 COCCNCCC(N)=O 7908AC [0,1,1,0,0,0|2,0,0]=4 52 B9R1.132 CN1C(=O)CCC1CN X2997 [1,1,0,0,0,0|2,0,0]=4 53 B9R1.12 CNCCC1OCCO1 5054AL [1,1,0,0,0,0|1,0,1]=4 54 B9R1.12 COCCC1CCCN1 3594AF [1,1,0,0,0,0|1,0,1]=4 55 B11R1.75 O=C(O)CCC1CCC(=O)C1 4130AB [0,2,0,0,0,0|1,0,1]=4 56 B11R1.75 O=C(O)CCC1CCC(=O)N1 9629AE [0,2,0,0,0,0|1,0,1]=4 57 B9R1.2 CN1CCCC(C=O)C1 Z2329 [0,0,1,1,0,0|2,0,0]=4 58 B9R1.69 N[C@H]1C[C@@H](O)CNC1=O 1642AC [0,0,1,1,0,0|2,0,0]=4 59 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)N1 3928AJ [0,0,1,1,0,0|2,0,0]=4 60 B9R1.1 NCC1CCC(=O)CC1 5848AC [0,0,1,1,0,0|2,0,0]=4 61 B9R1.79 COC(=O)CC1CCC1 1218AC [0,0,1,1,0,0|2,0,0]=4 62 B9R1.6 O=C(O)C1CNCCS1 3882AD [0,0,1,1,0,0|2,0,0]=4 63 B9R1.6 O=C(O)C1CSCCN1 Z5417 [0,0,1,1,0,0|2,0,0]=4 64 B9R1.6 O=C(O)[C@@H]1CNCCO1 7772AA [0,0,1,1,0,0|2,0,0]=4 65 B9R1.6 O=C([O-])C1CCCCC1 6421AA [0,0,1,1,0,0|0,0,1]=3 66 B9R2.39 O=C1CN2CCC1C2 4321AA [1,0,0,1,0,0|2,0,0]=4 67 B9R2.39 [C@@H]12CCN(CC1=O)C2 0921AB [1,0,0,1,0,0|2,0,0]=4 68 B9R2.39 [C@H]12C=C(C)[C@H](CC1)C2 2133AL [1,0,0,1,0,0|2,0,0]=4 69 B9R2.2 C1CNC(C2CC2)C1 1686AJ [1,0,0,1,0,0|1,0,1]=4 70 B9R2.2 C1CNC(C2CC2)C1 1687AJ [1,0,0,1,0,0|1,0,1]=4 71 B9R2.138 O=C1CC2(CCC2)C1 4503AJ [0,0,0,1,1,0|1,0,0]=3 72 B11R2.35 O=C1CCCN(C2CC2)C1 Y4546 [0,0,0,1,0,1|2,0,0]=4 73 B11R2.106 O=C1CCCC2CNCC12 4435AJ [0,0,0,1,0,1|2,0,0]=4 74 B11R2.106 O=C1CCCN2CCCC12 4136AJ [0,0,0,1,0,1|2,0,0]=4 75 B11R2.106 O=C1CCNC2CCCC12 2822AJ [0,0,0,1,0,1|1,0,0]=3 76 B11R2.106 O=C1CCNC2CCCC12 4130AJ [0,0,0,1,0,1|1,0,0]=3 77 B11R2.106 O=C1CNCC2CCCN12 4138AJ [0,0,0,1,0,1|1,0,0]=3 78 B11R2.106 [C@@H]12CCCN1C(=O)CNC2 9217AH [0,0,0,1,0,1|1,0,0]=3 79 B11R2.352 O=C1CC(C2CCC2)CN1 2536AB [0,1,0,1,0,0|2,0,0]=4 80 B11R2.1 O=C1CC[C@@H]2CNCCN12 7610AA [0,1,0,1,0,0|1,0,0]=3 81 B11R2.1 [C@H]12CCC(=O)N1CCNC2 8898AH [0,1,0,1,0,0|1,0,0]=3 82 B11R2.139 O=C1CC2CC(=O)CC2C1 4751AE [0,1,0,1,0,0|1,0,1]=4 83 B11R2.1074 CC1(C2CC2)CNC(=O)C1 4487AF [0,1,0,1,0,0|2,0,0]=4 84 B7R0.5 CC(CCN)C(=O)O 5853AB [0,0,1,0,1,0|2,0,0]=4 85 B7R0.5 CCCC(C)C(C)=O 2081AB [0,0,1,0,1,0|0,0,0]=2 86 B7R0.5 CCCC(C)C(C)C 5237AL [0,0,1,0,1,0|1,0,1]=4 87 B7R0.5 CCC[C@H](Cl)C(=O)O Z6042 [0,0,1,0,1,0|2,0,0]=4 88 B7R1.10 O=C1CC(CCl)C1 2253AL [1,0,0,0,1,0|2,0,0]=4