0 B6R0.2 CC(=O)CC(=O)[O-] 8151AL [0,0,0,0,0,0|2,0,0]=2 1 B6R0.2 CC(=O)SC(C)=O 7216AF [0,0,0,0,0,0|0,1,0]=1 2 B6R0.2 CC(C)=NN(C)C 6998AL [0,0,0,0,0,0|4,0,0]=4 3 B6R0.2 CC(C)O[N+](=O)[O-] F423 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.2 CN(C)CC(=O)[O-] 9593AA [0,0,0,0,0,0|4,0,0]=4 5 B6R0.2 CN(C)NC(N)=O 4373AL [0,0,0,0,0,0|4,0,0]=4 6 B6R0.2 C[C@H](Br)CC(=O)O V0016 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.2 NC(=O)CC(=O)O 1571AB [0,0,0,0,0,0|3,0,0]=3 8 B5R0.1 C=CCC(=C)C 5694AL [1,0,0,0,0,0|2,0,1]=4 9 B5R0.1 C=CCC(N)=O Y1568 [1,0,0,0,0,0|2,0,1]=4 10 B5R0.1 C=COC(C)C 3476AL [1,0,0,0,0,0|1,0,2]=4 11 B5R0.1 CCC=C(C)C 7499AF [1,0,0,0,0,0|2,0,1]=4 12 B5R0.1 CCOC(C)C 7879AL [1,0,0,0,0,0|1,0,2]=4 13 B5R0.1 CNCC(C)=O 4565AF [1,0,0,0,0,0|2,0,0]=3 14 B5R0.1 CNOC(C)=O 8699AL [1,0,0,0,0,0|1,0,0]=2 15 B5R0.1 C\C=C\C(C)C 7501AF [1,0,0,0,0,0|2,0,1]=4 16 B5R0.1 O=C(O)\C=C/Br V3608 [1,0,0,0,0,0|3,0,0]=4 17 B5R0.1 O=C(O)\C=C/I 9333AB [1,0,0,0,0,0|3,0,0]=4 18 B5R0.1 O=C(O)\C=C\I V7047 [1,0,0,0,0,0|3,0,0]=4 19 B7R0.2 C=CC(C)OC(C)=O 6010AL [0,1,0,0,0,0|1,0,1]=3 20 B7R0.2 CC(=O)\C=C(\C)O[Rh] 7419AJ [0,1,0,0,0,0|1,0,1]=3 21 B7R0.2 CC(=O)\C=C(\C)O[Rh] G765 [0,1,0,0,0,0|1,0,1]=3 22 B7R0.2 CC(=O)\C=C(\C)O[Rh] O524 [0,1,0,0,0,0|1,0,1]=3 23 B7R0.2 CC(C)NC(=O)CBr 1764AC [0,1,0,0,0,0|2,0,1]=4 24 B7R0.2 CC(C)NC(=O)CN 6712AE [0,1,0,0,0,0|2,0,1]=4 25 B7R0.2 CCN(C)CC(C)=O 9608AC [0,1,0,0,0,0|3,0,0]=4 26 B7R0.2 CNC(=O)NC(C)=O 7251AF [0,1,0,0,0,0|1,0,0]=2 27 B7R0.2 CN\C(C)=C\C(C)=O 3696AC [0,1,0,0,0,0|2,0,0]=3 28 B7R0.2 COC(=O)CC(N)=S 7011AJ [0,1,0,0,0,0|2,1,0]=4 29 B7R0.9 CC(=O)OC(C)(C)C Y7726 [0,1,0,0,0,0|1,0,1]=3 30 B7R0.9 CS(=O)(=O)CC(N)=O 5300AJ [0,1,0,0,0,0|3,0,0]=4 31 B7R0.16 CC(=O)C(=O)C(C)Br Y2126 [0,1,0,0,0,0|2,0,1]=4 32 B7R0.16 CC(=O)C(Br)C(C)=O 9608AD [0,1,0,0,0,0|1,0,0]=2 33 B7R0.16 O=C([O-])C(=O)C(=O)[O-] 1418AC [0,1,0,0,0,0|3,0,0]=4 34 B7R1.2 CC1=CN=C(N)O1 X6056 [0,0,0,1,0,0|3,0,0]=4 35 B7R1.2 CC1=COC(C)=N1 5323AL [0,0,0,1,0,0|2,0,1]=4 36 B7R1.2 CC1=NN=C(C)O1 Z4081 [0,0,0,1,0,0|2,0,0]=3 37 B7R1.2 CC1=NOC(=O)C1 0252AQ [0,0,0,1,0,0|3,0,0]=4 38 B7R1.2 CN1CCC(=O)C1 B871 [0,0,0,1,0,0|3,0,0]=4 39 B7R1.2 C[C@@H]1COC(=O)O1 P610 [0,0,0,1,0,0|2,0,1]=4 40 B7R1.2 NC1=CC(=O)CC1 2359AL [0,0,0,1,0,0|2,0,0]=3 41 B7R1.2 O=C1C=C(Br)CO1 V6658 [0,0,0,1,0,0|3,0,0]=4 42 B7R1.2 O=C1C=C(O)CC1 6113AE [0,0,0,1,0,0|1,0,1]=3 43 B7R1.2 O=C1C=C(O)CN1 6921AB [0,0,0,1,0,0|2,0,1]=4 44 B7R1.2 O=C1CCC(I)C1 3588AC [0,0,0,1,0,0|2,0,1]=4 45 B7R1.2 O=C1CCC(O)N1 W1140 [0,0,0,1,0,0|1,0,2]=4 46 B7R1.2 O=C1CNC(=O)C1 X3858 [0,0,0,1,0,0|2,0,0]=3 47 B7R1.2 O=C1OCC(Cl)O1 E933 [0,0,0,1,0,0|2,0,1]=4 48 B7R1.20 CC(=O)CC1CC1 5730AB [0,0,0,1,0,0|2,0,1]=4 49 B5R0.5 C=C(C)C(C)C 5230AL [0,0,0,0,1,0|2,0,1]=4 50 B5R0.5 C=C(F)C(=O)[O-] 0621AP [0,0,0,0,1,0|2,0,1]=4 51 B5R0.5 CC(=O)C(=O)[O-] 7017AF [0,0,0,0,1,0|1,0,0]=2 52 B5R0.5 CC(=O)C(C)F 0085AF [0,0,0,0,1,0|1,0,1]=3 53 B5R0.5 C[C@H](N)C(N)=O 7048AH [0,0,0,0,1,0|2,0,1]=4 54 B5R0.5 O=C(O)C(=O)O 7001AF [0,0,0,0,1,0|2,0,0]=3 55 B5R0.5 O=C([O-])C(=O)[O-] 6503AJ [0,0,0,0,1,0|2,0,0]=3 56 B7R0.6 C=C(C)CCC(=C)C 7929AF [0,0,0,0,0,1|3,0,0]=4 57 B7R0.6 C=C(Cl)CSC(C)=O 8348AD [0,0,0,0,0,1|1,1,1]=4 58 B7R0.6 CC(=O)CCN(C)C 8474AD [0,0,0,0,0,1|3,0,0]=4 59 B7R0.6 CC(=O)NN=C(C)C 3890AH [0,0,0,0,0,1|2,0,0]=3 60 B7R0.6 CC(=O)NNC(C)=O D302 [0,0,0,0,0,1|1,0,0]=2 61 B7R0.6 CC(=O)SCC(=O)O Y7206 [0,0,0,0,0,1|1,1,0]=3 62 B7R0.6 CC(=O)\C=C\C(=O)O Y9180 [0,0,0,0,0,1|2,0,0]=3 63 B7R0.6 NC(=O)NNC(N)=O 8704AC [0,0,0,0,0,1|3,0,0]=4 64 B4R0.1 C=C=C(C)C 6086AL [2,0,0,0,0,0|2,0,0]=4 65 B4R0.1 CC(=O)NBr 6847AF [2,0,0,0,0,0|2,0,0]=4 66 B4R0.1 CCC(=O)Br C859 [2,0,0,0,0,0|1,0,1]=4 67 B4R0.1 CSC(C)=O 9061AJ [2,0,0,0,0,0|0,1,0]=3 68 B4R0.1 C\C=C(/C)Cl 5560AL [2,0,0,0,0,0|1,0,0]=3 69 B4R0.1 C\C=C(\C)Cl 4247AL [2,0,0,0,0,0|1,0,0]=3 70 B4R0.2 C\C=C/CC 7428AL [2,0,0,0,0,0|1,0,1]=4 71 B4R0.2 C\C=C\SC AMTGC066 [2,0,0,0,0,0|2,0,0]=4 72 B4R0.2 N\C=C/C=O 4699AJ [2,0,0,0,0,0|2,0,0]=4 73 B6R0.1 CC#CC(=O)OC X7106 [1,1,0,0,0,0|1,0,1]=4 74 B6R0.1 CCC(=O)CSC K829 [1,1,0,0,0,0|2,0,0]=4 75 B6R0.1 CCCC(=O)SC 8847AJ [1,1,0,0,0,0|1,0,1]=4 76 B6R0.1 CCOC(=N)CC 8352AC [1,1,0,0,0,0|1,0,1]=4 77 B6R0.1 COC(=O)\C=C\N 1217AQ [1,1,0,0,0,0|2,0,0]=4 78 B6R0.1 COCC(=O)OC J70196 [1,1,0,0,0,0|2,0,0]=4 79 B6R0.1 NCC(=O)O[Ru]Cl 2335AH [1,1,0,0,0,0|2,0,0]=4 80 B6R0.3 CCC(C)C(C)=O U423 [1,1,0,0,0,0|1,0,1]=4 81 B6R0.3 CCC(S)C(C)=O 9471AJ [1,1,0,0,0,0|1,0,1]=4 82 B6R0.3 CSC(C)C(C)=O 6125AL [1,1,0,0,0,0|2,0,0]=4 83 B6R0.3 C\C=C(/C)C(C)=O 6105AL [1,1,0,0,0,0|1,0,0]=3 84 B6R0.3 C\C=C(\C)C(=O)O 8382AJ [1,1,0,0,0,0|2,0,0]=4 85 B6R0.4 CC(=O)NCCCl W8163 [1,1,0,0,0,0|1,0,1]=4 86 B6R0.4 CC(=O)OCCCl 7237AF [1,1,0,0,0,0|0,0,1]=3 87 B6R0.4 CC(=O)SCCN 5884AD [1,1,0,0,0,0|0,1,1]=4 88 B6R0.4 COCCC(C)=O B939 [1,1,0,0,0,0|1,0,1]=4 89 B6R0.4 NC(=O)OCCCl 7044AF [1,1,0,0,0,0|1,0,1]=4 90 B6R0.7 CC(=O)C(C)(C)Br Y1567 [0,1,0,0,1,0|1,0,1]=4 91 B6R0.7 CC(=O)C(C)(C)O X0229 [0,1,0,0,1,0|0,0,2]=4 92 B8R0.9 CCC(=O)CCC(=O)O 8820AC [0,1,0,0,0,1|2,0,0]=4 93 B8R0.9 CCC(=O)CCC(C)=O 8738AA [0,1,0,0,0,1|1,0,0]=3 94 B8R0.9 CCC(=O)COC(C)=O X5648 [0,1,0,0,0,1|0,0,0]=2 95 B8R0.9 COC(=O)CNC(C)=O 3516AL [0,1,0,0,0,1|1,0,0]=3 96 B8R0.9 COC(=O)\C=C/C(=O)O F587 [0,1,0,0,0,1|2,0,0]=4 97 B8R0.9 COC(=O)\C=C\C(C)=O 7011AL [0,1,0,0,0,1|1,0,0]=3 98 B8R0.23 CC(=O)C(C)CC(=O)O 7164AL [0,1,0,0,0,1|2,0,0]=4 99 B8R0.23 CC(=O)N(C)CC(=O)O 6236AE [0,1,0,0,0,1|2,0,0]=4 100 B8R0.23 CC(=O)N[C@@H](C)C(N)=O U537 [0,1,0,0,0,1|2,0,0]=4 101 B8R0.2 COC(=O)C(Br)=C(C)C 4627AE [0,2,0,0,0,0|2,0,0]=4 102 B8R0.2 COC(=O)C(C)C(=O)O 2314AJ [0,2,0,0,0,0|2,0,0]=4 103 B8R0.2 COC(=O)C(N)C(C)=O 0522AC [0,2,0,0,0,0|1,0,0]=3 104 B8R0.5 COCC(=O)CC(C)=O W7487 [0,2,0,0,0,0|1,0,0]=3 105 B8R0.16 C=CC(CC)OC(C)=O 4942AL [0,2,0,0,0,0|1,0,1]=4 106 B8R0.24 CC(C)(C)OC(=O)CI X6904 [0,2,0,0,0,0|1,0,1]=4 107 B8R0.24 CNC(=O)CS(C)(=O)=O 7284AJ [0,2,0,0,0,0|2,0,0]=4 108 B8R0.18 CC(=O)C(=CN)C(C)=O 7997AJ [0,2,0,0,0,0|1,0,0]=3 109 B6R1.2 CC1=NC=CO1 1470AB [1,0,0,1,0,0|1,0,1]=4 110 B6R1.2 O=C1C=CCN1 V5771 [1,0,0,1,0,0|2,0,0]=4 111 B6R1.2 O=C1C=CCS1 1311AQ [1,0,0,1,0,0|2,0,0]=4 112 B6R1.11 CC(=O)C1CO1 3696AE [1,0,0,1,0,0|2,0,0]=4 113 B8R1.3 O=C1CCC(=O)NC1 7306AB [0,0,0,1,0,1|1,0,0]=3 114 B8R1.3 O=C1CCS(=O)CC1 5611AD [0,0,0,1,0,1|2,0,0]=4 115 B8R1.23 O=C1CC(C(=O)O)N1 Y4879 [0,0,0,1,0,1|2,0,0]=4 116 B8R1.23 O=C1C[C@@H](C(=O)O)N1 1251AL [0,0,0,1,0,1|2,0,0]=4 117 B8R1.51 CC1(C)COC(=O)C1 2579AL [0,0,0,1,0,1|1,0,1]=4 118 B8R1.1 CC1=NC=C(C=O)O1 4199AC [0,1,0,1,0,0|1,0,1]=4 119 B8R1.1 CC1=NC=C(CO)O1 8519AH [0,1,0,1,0,0|2,0,0]=4 120 B8R1.1 CC1=NN=C(CN)O1 6665AE [0,1,0,1,0,0|2,0,0]=4 121 B8R1.1 CCC1=CC=C(C)O1 8739AA [0,1,0,1,0,0|2,0,0]=4 122 B8R1.1 COC1=CC(=O)CC1 6398AB [0,1,0,1,0,0|1,0,1]=4 123 B8R1.4 O=C1CNCC(=O)N1 4515AB [0,1,0,1,0,0|1,0,0]=3 124 B8R1.4 O=C1COCC(=O)N1 7446AH [0,1,0,1,0,0|1,0,0]=3 125 B8R1.4 O=C1CSCC(=O)C1 W7877 [0,1,0,1,0,0|1,0,0]=3 126 B8R1.4 O=C1[CH-]C(=O)COC1 W9025 [0,1,0,1,0,0|1,0,0]=3 127 B8R1.18 CC1=CC(S)=C(C)O1 U424 [0,1,0,1,0,0|1,1,0]=4 128 B8R1.18 CC1=NC(C)=C(Br)O1 3116AJ [0,1,0,1,0,0|2,0,0]=4 129 B8R1.34 CC(=O)OC1CNC1 9055AE [0,1,0,1,0,0|1,0,1]=4 130 B8R1.50 CC1=C(Br)C(=O)CC1 1360AQ [0,1,0,1,0,0|2,0,0]=4 131 B8R1.50 CN1C(=O)CNC1=O 0568AC [0,1,0,1,0,0|2,0,0]=4 132 B8R1.50 CN1C(=O)COC1=O 4361AD [0,1,0,1,0,0|2,0,0]=4 133 B8R1.50 O=C1CCC(=O)C1Br 4248AD [0,1,0,1,0,0|1,0,0]=3 134 B8R0.28 CC(=O)CCOC(C)C 6552AL [0,0,0,0,0,2|1,0,1]=4 135 B8R0.28 CC(=O)O[Pd]OC(C)=O 8735AL [0,0,0,0,0,2|0,0,0]=2 136 B8R0.28 CC(=O)O[Pd]OC(C)=O X7235 [0,0,0,0,0,2|0,0,0]=2 137 B8R0.28 CC(=O)O[Rh]OC(C)=O 7677AH [0,0,0,0,0,2|0,0,0]=2 138 B8R0.28 CC(=O)O[Rh]OC(C)=O E174 [0,0,0,0,0,2|0,0,0]=2 139 B8R0.28 CC(=O)SCCC(=O)O 0636AQ [0,0,0,0,0,2|1,1,0]=4 140 B8R0.28 O=C(O)O[Pt]OC(=O)O 4478AA [0,0,0,0,0,2|2,0,0]=4