0 B6R0.3 C=C(C)C(=O)NC 3763AL [0,0,0,0,0,0|1,0,0]=1 1 B6R0.3 CC(=O)C(=O)CBr W6757 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.3 CC(C)C(=O)CBr W4222 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.3 CCC(=O)C(C)=O 7386AF [0,0,0,0,0,0|2,0,0]=2 4 B6R0.3 CN(C)C(=O)CN Z5718 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.3 CN(C)C(=O)CO 4466AD [0,0,0,0,0,0|3,0,1]=4 6 B6R0.3 CNC(=O)C(C)Cl 3091AE [0,0,0,0,0,0|2,0,1]=3 7 B6R0.3 CNC(=O)C(F)Br 5096AE [0,0,0,0,0,0|3,0,1]=4 8 B6R0.3 CNC(=O)C(F)I 1593AF [0,0,0,0,0,0|3,0,1]=4 9 B6R0.3 COC(=N)C(C)C V5712 [0,0,0,0,0,0|1,0,2]=3 10 B6R0.3 COC(C)C(C)O V6491 [0,0,0,0,0,0|2,0,2]=4 11 B6R0.3 CON(C)C(=O)Cl 8593AL [0,0,0,0,0,0|4,0,0]=4 12 B6R0.3 O=C(O)C(=O)CBr 7040AD [0,0,0,0,0,0|4,0,0]=4 13 B5R0.1 C=C(C)CCBr Z4377 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.1 C=C(C)CCC 5700AL [1,0,0,0,0,0|1,0,1]=3 15 B5R0.1 CC(C)=CCBr Z1911 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.1 CNOC(C)=O 8699AL [1,0,0,0,0,0|3,0,0]=4 17 B5R0.1 COCC(=N)N W4095 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.1 COCC(C)=O U020 [1,0,0,0,0,0|1,0,1]=3 19 B5R0.1 COCC(C)N 0442AC [1,0,0,0,0,0|1,0,2]=4 20 B5R0.1 COC[C@@H](C)N W7467 [1,0,0,0,0,0|1,0,2]=4 21 B5R0.1 CSC=[N+](C)C 8446AL [1,0,0,0,0,0|1,1,1]=4 22 B5R0.1 CSCC(C)=O Y1373 [1,0,0,0,0,0|1,1,1]=4 23 B5R0.3 C=CC(=O)NC 3091AA [1,0,0,0,0,0|1,0,0]=2 24 B5R0.3 C=CC(C)CC 6094AL [1,0,0,0,0,0|2,0,1]=4 25 B5R0.3 C=CC(O)CC 7733AJ [1,0,0,0,0,0|1,0,2]=4 26 B5R0.3 CCC(=O)NC 7273AF [1,0,0,0,0,0|1,0,1]=3 27 B5R0.3 CCC(=O)NN 6023AE [1,0,0,0,0,0|2,0,1]=4 28 B5R0.3 CON(C)C=O 3547AB [1,0,0,0,0,0|3,0,0]=4 29 B5R0.3 COS(=O)OC 6871AF [1,0,0,0,0,0|2,0,0]=3 30 B5R0.3 CS\C(O)=[SH]/C K552 [1,0,0,0,0,0|1,1,1]=4 31 B5R0.3 C\C=C(/C)C#N 5703AL [1,0,0,0,0,0|3,0,0]=4 32 B5R0.5 CC(=O)N(C)C B355 [1,0,0,0,0,0|1,0,1]=3 33 B5R0.5 CC(=O)[C@H](C)N 2350AA [1,0,0,0,0,0|1,0,1]=3 34 B5R0.5 CC(C)C(=O)[O-] 7249AF [1,0,0,0,0,0|0,0,3]=4 35 B5R0.5 CC(Cl)C(N)=O 9013AD [1,0,0,0,0,0|2,0,1]=4 36 B5R0.5 CC(N)C(N)=O 9942AE [1,0,0,0,0,0|2,0,1]=4 37 B5R0.5 CC(N)C(N)=O V6080 [1,0,0,0,0,0|2,0,1]=4 38 B5R0.5 CC(O)C(=O)[O-] 7038AF [1,0,0,0,0,0|1,0,2]=4 39 B5R0.5 CC(O)C(=O)[O-] O583 [1,0,0,0,0,0|1,0,2]=4 40 B5R0.5 C[C@@H](N)C(N)=O Z4641 [1,0,0,0,0,0|2,0,1]=4 41 B5R0.5 NC(=O)C(=O)[O-] Z3402 [1,0,0,0,0,0|2,0,1]=4 42 B5R0.5 O=C(O)C(Br)Br 6811AF [1,0,0,0,0,0|2,0,1]=4 43 B7R0.5 C=COC(=O)C(=C)C 9402AL [0,1,0,0,0,0|0,0,1]=2 44 B7R0.5 CCOC(=O)C(Cl)Cl 7192AF [0,1,0,0,0,0|2,0,1]=4 45 B7R0.5 CCOC(=O)C(F)Cl 2611AE [0,1,0,0,0,0|2,0,1]=4 46 B7R0.5 CCOC(=O)C(F)I 2612AE [0,1,0,0,0,0|2,0,1]=4 47 B7R0.10 C=C(CO)C(=O)OC X7006 [0,1,0,0,0,0|0,0,0]=1 48 B7R0.10 C=C(OC)C(=O)OC 3529AL [0,1,0,0,0,0|0,0,0]=1 49 B7R0.10 C=CC(O)C(=O)OC 7788AL [0,1,0,0,0,0|1,0,1]=3 50 B7R0.10 CC[C@H](O)C(=O)OC 9869AL [0,1,0,0,0,0|1,0,1]=3 51 B7R0.10 CNC(=O)C(=O)NC R814 [0,1,0,0,0,0|2,0,0]=3 52 B7R0.10 CNC(C)C(=O)OC 4207AJ [0,1,0,0,0,0|0,0,2]=3 53 B7R0.10 CN[C@@H](C)C(=O)OC V5398 [0,1,0,0,0,0|0,0,2]=3 54 B7R0.10 COC(=O)C(=O)CBr S720 [0,1,0,0,0,0|1,0,0]=2 55 B7R0.10 COC(=O)C(=O)NN 7238AE [0,1,0,0,0,0|2,0,0]=3 56 B7R0.10 COC(=O)C(C)OC X3976 [0,1,0,0,0,0|0,0,2]=3 57 B7R0.10 COC(=O)[C@@H](C)CBr 4140AL [0,1,0,0,0,0|0,0,2]=3 58 B7R0.10 COC(=O)[C@@H](O)CO X8639 [0,1,0,0,0,0|1,0,1]=3 59 B7R0.10 COC(=O)[C@H](C)CBr 4182AL [0,1,0,0,0,0|0,0,2]=3 60 B7R0.10 COC(=O)[C@H](C)CO X3275 [0,1,0,0,0,0|0,0,2]=3 61 B7R0.10 COC(=O)[C@H](N)CCl 2170AA [0,1,0,0,0,0|1,0,1]=3 62 B7R0.10 COC(=O)[C@H](N)CS 8434AE [0,1,0,0,0,0|1,0,1]=3 63 B7R0.10 COC(=O)[C@H](O)CO 9042AH [0,1,0,0,0,0|1,0,1]=3 64 B7R0.10 C\C=C(/Br)C(=O)OC 3521AL [0,1,0,0,0,0|1,0,0]=2 65 B7R0.10 C\C=C(/C)C(=O)OC 8251AL [0,1,0,0,0,0|0,0,0]=1 66 B7R0.14 CCC(=O)C(C)(C)C Y9483 [0,1,0,0,0,0|1,0,2]=4 67 B7R0.14 CNC(=O)C(C)(C)Br V7364 [0,1,0,0,0,0|1,0,2]=4 68 B7R0.14 COC(=O)C(F)(F)Cl 8839AJ [0,1,0,0,0,0|2,0,1]=4 69 B7R0.16 CC(Br)C(=O)C(C)Br 0261AQ [0,1,0,0,0,0|2,0,1]=4 70 B7R0.16 CC(C)=C(C)C(C)C 5174AL [0,1,0,0,0,0|2,0,1]=4 71 B7R0.16 CC(C)C(=O)C(=O)O 1796AC [0,1,0,0,0,0|3,0,0]=4 72 B7R0.16 CC(N)C(=O)N(C)C 3024AD [0,1,0,0,0,0|2,0,1]=4 73 B7R1.4 BrC1=C(Br)CCC1 U121 [0,0,0,1,0,0|3,0,0]=4 74 B7R1.4 CC1=C(Br)C=NO1 0948AC [0,0,0,1,0,0|3,0,0]=4 75 B7R1.4 CC1=C(C)OC=C1 5235AL [0,0,0,1,0,0|1,0,1]=3 76 B7R1.4 CC1=C(I)NN=C1 Y3268 [0,0,0,1,0,0|3,0,0]=4 77 B7R1.4 CC1=CSC=C1N 1699AB [0,0,0,1,0,0|3,0,0]=4 78 B7R1.4 CC1CCNC1=O Y8455 [0,0,0,1,0,0|1,0,2]=4 79 B7R1.4 CC1CCOC1=O W3659 [0,0,0,1,0,0|0,0,2]=3 80 B7R1.4 CC1SCCC1=O 6512AA [0,0,0,1,0,0|2,0,1]=4 81 B7R1.4 NC1CCNC1=O 0020AD [0,0,0,1,0,0|2,0,1]=4 82 B7R1.4 O=C1CCC=C1O X8732 [0,0,0,1,0,0|2,0,0]=3 83 B7R1.4 O=C1OCCC1O 0071AB [0,0,0,1,0,0|1,0,1]=3 84 B7R1.4 O=C1OCC[C@H]1O 8329AB [0,0,0,1,0,0|1,0,1]=3 85 B7R1.4 O=C1O[Ca]OC1=O 6793AF [0,0,0,1,0,0|3,0,0]=4 86 B7R1.4 O=C1O[Fe]OC1=O 6807AF [0,0,0,1,0,0|3,0,0]=4 87 B7R1.4 O=C1O[Fe]OC1=O 6808AF [0,0,0,1,0,0|3,0,0]=4 88 B7R1.22 [C@@H]1(C(=O)OC)CO1 4453AH [0,0,0,1,0,0|1,0,1]=3 89 B7R0.2 CC(=O)\C=C(\C)O[Rh] G765 [0,0,0,0,0,1|3,0,0]=4 90 B7R0.2 CCC(=O)CC(C)C 9385AB [0,0,0,0,0,1|1,0,2]=4 91 B7R0.2 CCC(=O)OC(C)C 7522AF [0,0,0,0,0,1|1,0,2]=4 92 B7R0.2 CNC(=O)NC(C)=O 7251AF [0,0,0,0,0,1|2,0,0]=3 93 B7R0.2 COC(=O)CC(C)C 8842AJ [0,0,0,0,0,1|0,0,2]=3 94 B7R0.2 COC(=O)CN(C)C X7323 [0,0,0,0,0,1|1,0,1]=3 95 B4R0.1 C=C(Br)CO 1053AQ [2,0,0,0,0,0|1,0,1]=4 96 B4R0.1 C=CC(=O)[O-] 7016AF [2,0,0,0,0,0|0,0,1]=3 97 B4R0.1 C=CC(C)O 6444AE [2,0,0,0,0,0|0,0,2]=4 98 B4R0.1 CC(=O)O[Cu] X3614 [2,0,0,0,0,0|1,0,0]=3 99 B4R0.1 CC(=O)O[Tl] 6845AF [2,0,0,0,0,0|1,0,0]=3 100 B4R0.1 CC(C)=CBr X6156 [2,0,0,0,0,0|1,0,1]=4 101 B4R0.1 CO[SiH](C)C 3278AL [2,0,0,0,0,0|0,1,1]=4 102 B4R0.2 C=CCCC 7306AF [2,0,0,0,0,0|1,0,1]=4 103 B4R0.2 C=CSCC 7899AL [2,0,0,0,0,0|2,0,0]=4 104 B4R0.2 CO[Ca]OC 9618AJ [2,0,0,0,0,0|2,0,0]=4 105 B4R0.2 C\C=C\CC 7309AF [2,0,0,0,0,0|1,0,0]=3 106 B4R0.2 C\C=C\OC 1641AL [2,0,0,0,0,0|0,0,0]=2 107 B6R0.1 C\C=C\C(=O)CC 2730AL [1,1,0,0,0,0|2,0,0]=4 108 B6R0.9 CC=C(CC)CC 6043AL [1,1,0,0,0,0|2,0,0]=4 109 B6R0.7 CC(C)(F)C(=O)O 7217AE [1,1,0,0,0,0|0,0,2]=4 110 B8R0.2 COC(=O)C(F)=C(F)F 2386AE [0,1,0,0,0,1|2,0,0]=4 111 B8R0.2 COC(=O)C(N)C(C)O W7414 [0,1,0,0,0,1|1,0,1]=4 112 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O 3963AB [0,1,0,0,0,1|1,0,1]=4 113 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O W8506 [0,1,0,0,0,1|1,0,1]=4 114 B8R0.2 [C@@H](O)(C(=O)OC)C(C)C 9861AL [0,1,0,0,0,1|0,0,2]=4 115 B8R0.5 CCOC(=O)CC(=N)N W7089 [0,1,0,0,0,1|2,0,0]=4 116 B8R0.5 CCOC(=O)CC(C)N W6751 [0,1,0,0,0,1|1,0,1]=4 117 B8R0.5 CCOC(=O)CC(N)=S 6448AA [0,1,0,0,0,1|2,0,0]=4 118 B8R0.19 CC[C@H](O)CC(=O)OC 5880AB [0,1,0,0,0,1|1,0,1]=4 119 B8R0.19 COC(=O)CN(C)C=O V7303 [0,1,0,0,0,1|1,0,0]=3 120 B8R0.23 CC(=O)CC(=O)C(C)C 8868AE [0,1,0,0,0,1|2,0,0]=4 121 B8R0.24 COC(=O)C[Si](C)(C)C 8796AJ [0,1,0,0,0,1|0,1,1]=4 122 B8R0.3 C#CC[C@H](N)C(=O)OC 8457AA [0,2,0,0,0,0|1,0,1]=4 123 B8R0.3 CCCC(=O)C(=O)OC 8222AL [0,2,0,0,0,0|1,0,0]=3 124 B8R0.3 CCOC(=O)C(=O)CC W3459 [0,2,0,0,0,0|1,0,0]=3 125 B8R0.3 CCOC(=O)C(C)CN X7010 [0,2,0,0,0,0|0,0,2]=4 126 B8R0.3 CCOC(=O)C(Cl)CCl 7382AF [0,2,0,0,0,0|1,0,1]=4 127 B8R0.3 CCOC(=O)C(Cl)CCl X7347 [0,2,0,0,0,0|1,0,1]=4 128 B8R0.3 CCOC(=O)C(O)CC 5067AH [0,2,0,0,0,0|1,0,1]=4 129 B8R0.3 COC(=O)C(C)CCCl 4098AD [0,2,0,0,0,0|0,0,2]=4 130 B8R0.3 COC(=O)[C@H](C)NC=O 7006AH [0,2,0,0,0,0|0,0,1]=3 131 B8R0.8 C=CCOC(=O)C(=O)Cl 1182AQ [0,2,0,0,0,0|2,0,0]=4 132 B8R0.8 C=CCOC(=O)[C@H](C)N V4209 [0,2,0,0,0,0|1,0,1]=4 133 B8R0.8 CCCOC(=O)C(C)C 8881AL [0,2,0,0,0,0|0,0,2]=4 134 B8R0.8 CCCOC(=O)C(C)O 8130AL [0,2,0,0,0,0|1,0,1]=4 135 B8R0.14 CCOC(=O)C(C)(C)C 7793AF [0,2,0,0,0,0|0,0,2]=4 136 B8R0.14 CCOC(=O)C(C)(C)N V3777 [0,2,0,0,0,0|0,0,2]=4 137 B8R0.13 CC[C@](C)(N)C(=O)OC 1282AL [0,2,0,0,0,0|0,0,2]=4 138 B8R0.13 CNC(C)(C)C(=O)OC 7644AB [0,2,0,0,0,0|0,0,2]=4 139 B8R0.13 COC(=O)C(C)(C)CN Z4297 [0,2,0,0,0,0|0,0,2]=4 140 B8R0.20 COC(=O)C(CBr)CBr U873 [0,2,0,0,0,0|0,0,2]=4 141 B8R0.18 CON(C(C)=O)C(C)=O 8592AL [0,2,0,0,0,0|2,0,0]=4 142 B6R1.2 BrC1=CON=C1 X5415 [1,0,0,1,0,0|2,0,0]=4 143 B6R1.2 CC1=COC=N1 Z5040 [1,0,0,1,0,0|1,0,1]=4 144 B6R1.2 IC1=CON=C1 W8742 [1,0,0,1,0,0|2,0,0]=4 145 B6R1.2 O=C1CCON1 3285AA [1,0,0,1,0,0|2,0,0]=4 146 B8R1.1 COC1=CC(=O)CC1 6398AB [0,0,0,1,0,1|2,0,0]=4 147 B8R1.1 COC1=NC(Br)=CS1 Y5356 [0,0,0,1,0,1|1,1,0]=4 148 B8R1.4 CN1CCOC(=O)C1 9637AA [0,0,0,1,0,1|1,0,1]=4 149 B8R1.18 CC1=CC(C)=C(Br)S1 0587AQ [0,0,0,1,0,1|2,0,0]=4 150 B8R1.18 CC1=CN(C)C(Br)=N1 Y8377 [0,0,0,1,0,1|2,0,0]=4 151 B8R1.5 CC1=CC=NNC1=O X0378 [0,1,0,1,0,0|1,0,1]=4 152 B8R1.5 O=C1OC=CC=C1O W6519 [0,1,0,1,0,0|1,0,1]=4 153 B8R1.11 CC1=C(C=O)NC=C1 1713AB [0,1,0,1,0,0|1,0,1]=4 154 B8R1.11 COC1=CC=NN1C 6266AA [0,1,0,1,0,0|2,0,0]=4 155 B8R1.38 COC(=O)C1CCC1 9430AE [0,1,0,1,0,0|0,0,2]=4 156 B8R1.38 COC(=O)C1CCN1 3825AJ [0,1,0,1,0,0|0,0,2]=4 157 B8R1.39 COC(=O)C1(N)CC1 V7506 [0,1,0,1,0,0|0,0,2]=4 158 B8R1.50 CC1=C(C)C(N)=NO1 V1317 [0,1,0,1,0,0|2,0,0]=4 159 B8R1.50 CC1=C(N)N(C)C=N1 6311AJ [0,1,0,1,0,0|2,0,0]=4 160 B8R1.50 CC1=C(O)COC1=O 2737AL [0,1,0,1,0,0|0,0,0]=2 161 B8R1.50 CC1CCC(=O)C1=O 6795AA [0,1,0,1,0,0|2,0,0]=4 162 B8R1.50 CN1C(=O)CSC1=O 8285AA [0,1,0,1,0,0|1,1,0]=4 163 B8R1.50 O=C1COC(=O)C1Cl 6019AL [0,1,0,1,0,0|1,0,1]=4 164 B8R1.50 O=C1OCC(Br)=C1Br 4605AD [0,1,0,1,0,0|1,0,0]=3 165 B8R0.9 CNC(=O)CNC(C)=O 4960AH [0,0,0,0,0,2|2,0,0]=4 166 B8R0.9 COC(=O)CCC(N)=O 8250AL [0,0,0,0,0,2|2,0,0]=4