0 B8R0.28 C=C(C)CCCC(C)C 5416AL [0,0,0,0,0,0|2,0,0]=2 1 B8R0.28 CC(=O)CNCC(C)=O W1126 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.28 CC(=O)O[Pd]OC(C)=O 9229AB [0,0,0,0,0,0|3,0,1]=4 3 B8R0.28 C\C(Br)=C/CCC(C)C 4781AJ [0,0,0,0,0,0|2,0,0]=2 4 B7R0.4 C=C(C)CC\C=C\C 5695AL [1,0,0,0,0,0|1,0,2]=4 5 B7R0.4 CCCCC[C@@H](C)N Z2122 [1,0,0,0,0,0|2,0,1]=4 6 B7R0.4 CN(C)CCCC=O 5485AH [1,0,0,0,0,0|2,0,0]=3 7 B7R0.4 CN(C)CCNC=O 1239AC [1,0,0,0,0,0|2,0,0]=3 8 B9R0.1 CCC(C)CCCC(C)C 5421AL [0,1,0,0,0,0|2,0,1]=4 9 B9R1.35 CC(=O)N1CCC(=O)C1 Z2278 [0,0,0,1,0,0|2,0,1]=4 10 B9R1.35 CC(=O)N1CCC(N)C1 Z2206 [0,0,0,1,0,0|2,0,0]=3 11 B9R1.35 CN1CC[C@@H](C(=O)O)C1 6381AC [0,0,0,1,0,0|3,0,0]=4 12 B9R1.35 CN1CC[C@H](C(=O)O)C1 6382AC [0,0,0,1,0,0|3,0,0]=4 13 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 4684AJ [0,0,0,1,0,0|3,0,0]=4 14 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 8377AH [0,0,0,1,0,0|3,0,0]=4 15 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 3938AJ [0,0,0,1,0,0|3,0,0]=4 16 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 8419AH [0,0,0,1,0,0|3,0,0]=4 17 B9R1.35 O=C(O)[C@@H]1CC[C@@H](O)C1 8378AH [0,0,0,1,0,0|3,0,0]=4 18 B9R1.35 O=C(O)[C@@H]1CC[C@H](O)C1 3940AJ [0,0,0,1,0,0|3,0,0]=4 19 B9R1.35 O=C(O)[C@@H]1CC[C@H](O)C1 8380AH [0,0,0,1,0,0|3,0,0]=4 20 B9R1.35 O=C(O)[C@H]1CC[C@@H](O)C1 1615AA [0,0,0,1,0,0|3,0,0]=4 21 B9R1.49 CN1CCNC(=O)CC1 3270AC [0,0,0,1,0,0|2,0,0]=3 22 B9R1.49 O=C1CCNC(=O)CC1 3823AJ [0,0,0,1,0,0|2,0,1]=4 23 B9R1.66 CC1(C)CC(=O)CCN1 1325AJ [0,0,0,1,0,0|2,0,0]=3 24 B9R1.66 CC1(C)CSCC(=O)C1 6245AD [0,0,0,1,0,0|2,0,0]=3 25 B9R1.66 CC1CCCC(C)(C)C1 8129AF [0,0,0,1,0,0|2,0,1]=4 26 B7R0.6 CC(=O)CC[N+](=O)[O-] 2788AL [0,0,0,0,1,0|3,0,0]=4 27 B7R0.6 CC(C)=CCC(C)C 5373AL [0,0,0,0,1,0|1,0,1]=3 28 B7R0.6 CC(C)CNC(C)C 2335AE [0,0,0,0,1,0|2,0,1]=4 29 B7R0.6 CC(N)CCN(C)C 6120AD [0,0,0,0,1,0|2,0,1]=4 30 B9R0.55 CC(C)NCCCN(C)C 9328AH [0,0,0,0,0,1|3,0,0]=4 31 B6R0.4 CCCC[Sn](=O)O 8518AL [2,0,0,0,0,0|2,0,0]=4 32 B6R0.4 CCOCC(C)N 0535AD [2,0,0,0,0,0|1,0,1]=4 33 B6R0.6 COCCCC=O Y8222 [2,0,0,0,0,0|2,0,0]=4 34 B8R0.6 CCCCCC(C)CC 6116AL [1,1,0,0,0,0|1,0,1]=4 35 B8R0.6 CCCCOC(C)CC AMTGC741 [1,1,0,0,0,0|1,0,1]=4 36 B8R0.6 COCCOC(=O)CCl 7354AL [1,1,0,0,0,0|1,0,0]=3 37 B8R0.7 CC#CCNCC(C)C 0456AD [1,1,0,0,0,0|1,0,1]=4 38 B8R0.7 CC(=O)OCCOCCl 5472AB [1,1,0,0,0,0|1,0,0]=3 39 B8R0.7 CC(C)CCCCCBr 4961AE [1,1,0,0,0,0|1,0,1]=4 40 B8R0.7 CC(C)CCCCCN 8012AF [1,1,0,0,0,0|1,0,1]=4 41 B8R0.7 CCCCC#CC(=O)O 5639AL [1,1,0,0,0,0|2,0,0]=4 42 B8R0.7 CCCCCCC(C)C 5738AL [1,1,0,0,0,0|1,0,1]=4 43 B8R0.7 CCCCOCC(C)C AMTGC740 [1,1,0,0,0,0|1,0,1]=4 44 B8R0.7 O=[N+]([O-])OCCCCO 7808AD [1,1,0,0,0,0|2,0,0]=4 45 B8R0.9 CC(=O)NCC(C)CN 8476AL [1,1,0,0,0,0|2,0,0]=4 46 B8R0.9 CC(=O)NCC(O)CCl 5114AB [1,1,0,0,0,0|2,0,0]=4 47 B8R0.9 CC(=O)NC[C@H](O)CCl 1336AB [1,1,0,0,0,0|2,0,0]=4 48 B8R0.23 CC(CC(=O)O)N(C)C 9307AE [0,1,0,0,1,0|2,0,0]=4 49 B8R0.23 CN(C)C[C@H](N)C(=O)O Q375 [0,1,0,0,1,0|2,0,0]=4 50 B10R0.96 CC(=O)CCC(=O)OC(C)C 3475AL [0,1,0,0,0,1|1,0,1]=4 51 B10R0.98 CC(C)CCC[C@H](N)C(=O)O 3499AB [0,1,0,0,0,1|2,0,0]=4 52 B10R0.3 CC(C)=CCC[C@@H](C)CC=O E470 [0,2,0,0,0,0|2,0,0]=4 53 B10R0.44 COC(=O)CC(N)CC(C)C TMBA019 [0,2,0,0,0,0|1,0,0]=3 54 B8R1.1 C=C[C@@H]1COC(=O)C1 4157AA [1,0,0,1,0,0|0,0,2]=4 55 B8R1.1 C=C[C@H]1COC(=O)C1 1309AL [1,0,0,1,0,0|0,0,2]=4 56 B8R1.1 CCN1CCC(=O)C1 0571AA [1,0,0,1,0,0|2,0,0]=4 57 B8R1.4 CC1CCCC(=O)N1 6454AJ [1,0,0,1,0,0|2,0,0]=4 58 B8R1.4 CC1CCNC(=O)N1 V4468 [1,0,0,1,0,0|2,0,0]=4 59 B8R1.4 CC1CCNC(C)C1 W9513 [1,0,0,1,0,0|1,0,1]=4 60 B8R1.4 C[C@H]1C[C@@H](O)CCO1 2705AC [1,0,0,1,0,0|1,0,1]=4 61 B8R1.4 C[C@H]1C[C@H](O)CCO1 8425AA [1,0,0,1,0,0|1,0,1]=4 62 B8R1.4 NC1CCNC(=O)C1 X9664 [1,0,0,1,0,0|2,0,0]=4 63 B8R1.7 CC(=O)[C@@H]1CCCO1 5805AA [1,0,0,1,0,0|2,0,0]=4 64 B8R1.7 CC(=O)[C@H]1CCCO1 0229AC [1,0,0,1,0,0|2,0,0]=4 65 B8R1.7 CC(C)C1CCCC1 8114AL [1,0,0,1,0,0|1,0,1]=4 66 B8R1.7 NC(=O)N1CCCC1 4081AE [1,0,0,1,0,0|2,0,0]=4 67 B8R1.19 CC1(Br)CCOC1=O 0648AQ [1,0,0,1,0,0|1,0,0]=3 68 B8R1.22 CC1CCCNCC1 2641AE [1,0,0,1,0,0|1,0,1]=4 69 B8R1.22 O=C1COCCCN1 1535AL [1,0,0,1,0,0|2,0,0]=4 70 B8R1.31 CC1CCC1C(=O)O 5817AB [1,0,0,1,0,0|2,0,0]=4 71 B8R1.34 CC(=O)C=C1CCC1 0333AC [1,0,0,1,0,0|1,0,1]=4 72 B8R1.3 C=C1CCN(C)CC1 6500AA [0,0,0,1,1,0|2,0,0]=4 73 B8R1.3 CC1COC(=O)OC1 3991AC [0,0,0,1,1,0|1,0,0]=3 74 B8R1.3 N[C@@H]1CCC(=O)NC1 0145AA [0,0,0,1,1,0|2,0,0]=4 75 B8R1.23 CC1CC(C(=O)O)C1 3997AC [0,0,0,1,1,0|1,0,0]=3 76 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 3996AC [0,0,0,1,1,0|1,0,0]=3 77 B8R1.51 CC1(O)CNC(=O)C1 7641AB [0,0,0,1,1,0|2,0,0]=4 78 B10R1.113 CC(C)N1CCCC(=O)C1 W8425 [0,0,0,1,0,1|1,0,0]=3 79 B10R1.113 CC1CCCC(C(=O)O)C1 6026AA [0,0,0,1,0,1|2,0,0]=4 80 B10R1.128 CC1(C)CNCC1C(=O)O 2274AB [0,0,0,1,0,1|2,0,0]=4 81 B10R1.128 CC1(C)CNC[C@@H]1C(=O)O 8671AH [0,0,0,1,0,1|2,0,0]=4 82 B10R1.13 CC(C)[C@@H]1C=CC(=O)CC1 0975AB [0,1,0,1,0,0|1,0,1]=4 83 B10R1.13 CC1CCC(C(=O)O)CN1 3607AJ [0,1,0,1,0,0|2,0,0]=4 84 B10R1.13 CC1CCC(C(N)=O)CN1 2603AF [0,1,0,1,0,0|2,0,0]=4 85 B10R1.14 COC(=O)[C@@H]1CC[C@H](O)C1 9012AA [0,1,0,1,0,0|2,0,0]=4 86 B10R1.153 CNC(=O)\C=C\CC1CC1 3584AA [0,1,0,1,0,0|1,0,1]=4 87 B10R1.197 CCC1CCNC(=O)CC1 0938AE [0,1,0,1,0,0|1,0,0]=3 88 B10R1.83 CC1(C)C(N)CC1C(=O)O 9706AE [0,1,0,1,0,0|2,0,0]=4 89 B10R1.147 CC1=CC(C)(C)CCC1=O 1885AL [0,1,0,1,0,0|2,0,0]=4 90 B10R1.55 CC(C)(C)[C@@H]1COC(=O)N1 N447 [0,1,0,1,0,0|1,0,0]=3 91 B10R2.14 O=C1CC(C2CC2)CN1 X9678 [0,0,0,2,0,0|1,0,0]=3 92 B6R0.2 CC(=O)CN(C)C 4784AD [0,0,0,0,2,0|1,0,0]=3 93 B6R0.2 CC(C)=CC(C)C 5316AL [0,0,0,0,2,0|1,0,1]=4