0 B6R0.4 CC(C)=CCCBr 1398AB [0,0,0,0,0,0|3,0,1]=4 1 B6R0.4 CC(C)=CCON 4432AJ [0,0,0,0,0,0|3,0,1]=4 2 B6R0.4 CC\C=C\C(C)=O Y8265 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.4 CN(C)CCCBr 7713AB [0,0,0,0,0,0|4,0,0]=4 4 B6R0.4 NCCNC(=S)S 7081AF [0,0,0,0,0,0|1,2,0]=3 5 B6R0.4 O=CNCC(=O)O Y4936 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.1 CC(=O)CCS U742 [1,0,0,0,0,0|2,0,0]=3 7 B5R0.1 CCCC(=O)[O-] M135 [1,0,0,0,0,0|0,0,1]=2 8 B5R0.1 CCCC(C)I 7327AF [1,0,0,0,0,0|2,0,1]=4 9 B5R0.1 CCNC(=N)N 6913AB [1,0,0,0,0,0|3,0,0]=4 10 B5R0.1 CCNC(=N)N S797 [1,0,0,0,0,0|3,0,0]=4 11 B5R0.1 CCO[PH](C)=O 8330AA [1,0,0,0,0,0|3,0,0]=4 12 B5R0.1 N=C(N)CCO 5428AA [1,0,0,0,0,0|3,0,0]=4 13 B5R0.2 COCCC=O Y8542 [1,0,0,0,0,0|2,0,0]=3 14 B5R0.2 FCCCCF 1855AE [1,0,0,0,0,0|2,0,1]=4 15 B5R0.2 NCCCCCl 5846AB [1,0,0,0,0,0|1,0,1]=3 16 B5R0.2 O=CCCC=O N715 [1,0,0,0,0,0|1,0,1]=3 17 B7R0.2 N[C@@H](CO)CC(=O)O 4626AA [0,1,0,0,0,0|1,0,0]=2 18 B7R0.3 CCCOC(=O)CCl U589 [0,1,0,0,0,0|3,0,0]=4 19 B7R0.3 CCCOC(=O)CN 3440AL [0,1,0,0,0,0|3,0,0]=4 20 B7R0.3 CC\C=C\C(=O)OC Y2122 [0,1,0,0,0,0|1,0,2]=4 21 B7R0.3 COC(=O)CCCO 3568AL [0,1,0,0,0,0|1,0,0]=2 22 B7R0.3 C\C=C(/C)CCCC 6098AL [0,1,0,0,0,0|3,0,0]=4 23 B7R0.4 C=CCCOC(=O)Cl Y4611 [0,1,0,0,0,0|2,0,1]=4 24 B7R0.4 CC(=O)OCCC=O 9702AA [0,1,0,0,0,0|2,0,1]=4 25 B7R0.4 NC(=O)COCCO 7275AF [0,1,0,0,0,0|2,0,0]=3 26 B7R0.4 NOCCCC(=O)O V9806 [0,1,0,0,0,0|0,0,0]=1 27 B7R0.5 CC(=O)C(Cl)CCO X4477 [0,1,0,0,0,0|2,0,0]=3 28 B7R0.5 CCCC(=O)C(=O)[O-] 7377AF [0,1,0,0,0,0|1,0,2]=4 29 B7R0.5 CCCC(O)C(C)=O X3438 [0,1,0,0,0,0|2,0,0]=3 30 B7R0.5 CNC[C@H](N)C(=O)O Q369 [0,1,0,0,0,0|2,0,0]=3 31 B7R0.5 C[C@H](N=[N+]=[N-])C(=O)O 0519AP [0,1,0,0,0,0|2,0,1]=4 32 B7R0.5 C[Se]C[C@H](N)C(=O)O 2218AB [0,1,0,0,0,0|2,0,0]=3 33 B7R0.5 NC(CCBr)C(=O)O 0872AA [0,1,0,0,0,0|1,0,0]=2 34 B7R0.5 N[C@@H](CCO)C(=O)O 0148AB [0,1,0,0,0,0|1,0,0]=2 35 B7R0.5 O=C(Br)C(Br)CCBr 7393AB [0,1,0,0,0,0|2,0,0]=3 36 B7R0.6 CC(C)CCC(C)N 2762AB [0,1,0,0,0,0|2,0,1]=4 37 B7R0.6 O=C(O)CCC(=O)O 9603AL [0,1,0,0,0,0|1,0,1]=3 38 B7R0.6 O=C([O-])CCC(=O)O 7180AF [0,1,0,0,0,0|1,0,1]=3 39 B7R0.6 O=C([O-])CCC(=O)O V1664 [0,1,0,0,0,0|1,0,1]=3 40 B7R0.6 O=C([O-])CCC(=O)[O-] 7155AF [0,1,0,0,0,0|1,0,2]=4 41 B7R0.6 O=C([O-])CCC(=O)[O-] V1658 [0,1,0,0,0,0|1,0,2]=4 42 B7R0.8 CCCCS(=O)(=O)O X7342 [0,1,0,0,0,0|2,0,0]=3 43 B7R0.8 CCCCS(=O)(=O)[O-] 4687AH [0,1,0,0,0,0|2,0,1]=4 44 B7R0.8 NCCC[Si](O)(O)O P779 [0,1,0,0,0,0|0,1,1]=3 45 B7R1.2 CC1CCC(=O)C1 7470AF [0,0,0,1,0,0|2,0,0]=3 46 B7R1.2 N[C@@H]1CC[C@@H](O)C1 6258AC [0,0,0,1,0,0|1,0,1]=3 47 B7R1.3 C=C1CCCCC1 3293AA [0,0,0,1,0,0|3,0,0]=4 48 B7R1.3 C[C@@H]1CCCNC1 8114AA [0,0,0,1,0,0|2,0,1]=4 49 B7R1.3 O=C1CCCNC1 7001AB [0,0,0,1,0,0|1,0,0]=2 50 B7R1.3 O=S1CCCCC1 V2389 [0,0,0,1,0,0|3,0,0]=4 51 B7R1.7 CCCC[C@H]1CO1 Y7384 [0,0,0,1,0,0|2,0,1]=4 52 B7R1.10 N#CC1CC(=O)C1 Z4386 [0,0,0,1,0,0|1,0,2]=4 53 B7R1.18 O=C(O)[C@@H]1CCN1 5483AB [0,0,0,1,0,0|0,0,0]=1 54 B7R1.20 CC(C)CC1CN1 Y8873 [0,0,0,1,0,0|2,0,1]=4 55 B4R0.1 C=C(Br)CC 7231AF [2,0,0,0,0,0|2,0,0]=4 56 B4R0.1 CC(=O)CN W5227 [2,0,0,0,0,0|1,0,0]=3 57 B4R0.1 CC(O)CN 8099AL [2,0,0,0,0,0|1,0,1]=4 58 B4R0.1 CCC(=O)F 3262AE [2,0,0,0,0,0|1,0,0]=3 59 B4R0.1 CCC(=O)[O-] 7037AF [2,0,0,0,0,0|0,0,1]=3 60 B4R0.1 NC(=O)CS 9295AE [2,0,0,0,0,0|2,0,0]=4 61 B4R0.1 NCC(=O)[O-] 7015AH [2,0,0,0,0,0|0,0,1]=3 62 B4R0.1 O=C([O-])CI U791 [2,0,0,0,0,0|1,0,1]=4 63 B4R0.1 O=C([O-])CS Z1770 [2,0,0,0,0,0|1,0,1]=4 64 B4R0.2 C=CCON 7592AH [2,0,0,0,0,0|1,0,1]=4 65 B4R0.2 CCCC[NH3+] 7121AF [2,0,0,0,0,0|0,0,2]=4 66 B4R0.2 CCCC[O-] S459 [2,0,0,0,0,0|0,0,2]=4 67 B4R0.2 CCC[Mg]Cl 9030AJ [2,0,0,0,0,0|2,0,0]=4 68 B4R0.2 CC\C=C\Br 3495AB [2,0,0,0,0,0|1,0,1]=4 69 B4R0.2 C\C=C\CN Q938 [2,0,0,0,0,0|1,0,1]=4 70 B4R0.2 FCCCF Y3147 [2,0,0,0,0,0|2,0,0]=4 71 B4R0.2 NOCCO 0128AP [2,0,0,0,0,0|1,0,0]=3 72 B4R0.2 O=CCCF 2017AC [2,0,0,0,0,0|1,0,0]=3 73 B6R0.1 C=CC(=O)COC S897 [1,1,0,0,0,0|2,0,0]=4 74 B6R0.1 CCC[C@@H](C)CO N835 [1,1,0,0,0,0|1,0,1]=4 75 B6R0.1 CCOC(=O)CF C411 [1,1,0,0,0,0|2,0,0]=4 76 B6R0.1 COC(=O)CCN 5700AB [1,1,0,0,0,0|0,0,0]=2 77 B6R0.2 CC(=N)CC(C)=O 7397AF [1,1,0,0,0,0|1,0,1]=4 78 B6R0.2 CC(C)CC(=O)Cl V2138 [1,1,0,0,0,0|1,0,0]=3 79 B6R0.2 CC(C)CC(=O)[O-] 7399AF [1,1,0,0,0,0|0,0,1]=3 80 B6R0.2 CC(C)CC(=O)[O-] 7400AF [1,1,0,0,0,0|0,0,1]=3 81 B6R0.2 CC(C)C[C@@H](C)O 7431AJ [1,1,0,0,0,0|1,0,1]=4 82 B6R0.2 C[C@H](O)CC(=O)O Z4946 [1,1,0,0,0,0|0,0,0]=2 83 B6R0.3 C=C(C)C(C)CC 7776AF [1,1,0,0,0,0|2,0,0]=4 84 B6R0.3 C=CC(N)C(=O)O 7462AB [1,1,0,0,0,0|0,0,2]=4 85 B6R0.3 C=C[C@H](N)C(=O)O 1008AC [1,1,0,0,0,0|0,0,2]=4 86 B6R0.3 CC[C@H](C)C(=O)O Z9667 [1,1,0,0,0,0|0,0,0]=2 87 B6R0.3 O=C(O)C(Br)CF 5339AD [1,1,0,0,0,0|1,0,0]=3 88 B6R0.5 CCOP(=O)(O)O 5203AD [1,1,0,0,0,0|2,0,0]=4 89 B6R0.5 CCOP(C)(=O)O X3731 [1,1,0,0,0,0|2,0,0]=4 90 B6R0.6 O=C=NCCCBr Y9470 [1,1,0,0,0,0|1,0,1]=4 91 B6R0.6 OCCOCCS 5680AL [1,1,0,0,0,0|1,0,1]=4 92 B8R0.2 CCC(C)[C@H](Cl)C(=O)O Z6070 [0,2,0,0,0,0|1,0,0]=3 93 B8R0.2 N[C@H](C(=O)O)[C@H](O)CF 7595AC [0,2,0,0,0,0|1,0,0]=3 94 B8R0.5 CCCC(=O)CC(C)=O 3453AL [0,2,0,0,0,0|2,0,0]=4 95 B8R0.5 CCCC(C)OC(C)=O 1658AL [0,2,0,0,0,0|2,0,0]=4 96 B8R0.3 C=CC[C@@H](N)C(=O)OC 8970AH [0,2,0,0,0,0|1,0,1]=4 97 B8R0.3 CCNC(C)C(=O)OC 4206AJ [0,2,0,0,0,0|2,0,0]=4 98 B8R0.6 CCCCCC(=O)SC U833 [0,2,0,0,0,0|1,1,0]=4 99 B8R0.6 CCCCNC(=N)NO 1917AH [0,2,0,0,0,0|2,0,0]=4 100 B8R0.6 CCCCOC(=O)C=O 3194AL [0,2,0,0,0,0|1,0,1]=4 101 B8R0.8 C#CCC[C@@H](N)C(=O)O 0448AP [0,2,0,0,0,0|1,0,0]=3 102 B8R0.8 C=C(C)C(=O)OCCN 1927AC [0,2,0,0,0,0|2,0,0]=4 103 B8R0.8 CC(=O)C(C)CCC#N 7950AC [0,2,0,0,0,0|1,0,1]=4 104 B8R0.8 NC(CCCO)C(=O)O 7586AB [0,2,0,0,0,0|1,0,0]=3 105 B8R0.8 NCCCC(N)C(=O)O 7335AF [0,2,0,0,0,0|0,0,0]=2 106 B8R0.8 NCCCC(N)C(=O)O U283 [0,2,0,0,0,0|0,0,0]=2 107 B8R0.8 NCCC[C@@H](N)C(=O)O 7336AF [0,2,0,0,0,0|0,0,0]=2 108 B8R0.8 NCCC[C@H](N)C(=O)O O422 [0,2,0,0,0,0|0,0,0]=2 109 B8R0.8 NOCCC(N)C(=O)O 0044AC [0,2,0,0,0,0|0,0,0]=2 110 B8R0.8 O=C(O)C(Br)CCCBr 7168AA [0,2,0,0,0,0|1,0,0]=3 111 B8R0.9 CC(=O)OCC(O)CO 7324AF [0,2,0,0,0,0|2,0,0]=4 112 B8R0.9 CCC(C)COC(C)=O 1426AQ [0,2,0,0,0,0|2,0,0]=4 113 B8R0.9 CCN(C)CCC(=O)O 8627AC [0,2,0,0,0,0|1,0,0]=3 114 B8R0.9 NCC(=O)CCC(=O)O 1451AA [0,2,0,0,0,0|0,0,0]=2 115 B8R0.9 NCC(=O)NCC(=O)O 7998AL [0,2,0,0,0,0|0,0,1]=3 116 B8R0.7 NCCCCCC(=O)Cl Y1672 [0,2,0,0,0,0|1,0,0]=3 117 B8R0.21 CCCCOP(=O)(O)O 7120AF [0,2,0,0,0,0|2,0,0]=4 118 B8R0.21 CCCCOS(=O)(=O)O X7343 [0,2,0,0,0,0|2,0,0]=4 119 B8R0.28 CC(C)COCC(=O)O 8143AD [0,2,0,0,0,0|1,0,0]=3 120 B8R0.28 CC(C)C\C=C\C(=O)O 0195AP [0,2,0,0,0,0|1,0,1]=4 121 B8R0.28 CN(C)CCCC(=O)O Y1714 [0,2,0,0,0,0|0,0,0]=2 122 B8R0.28 CN(C)C\C=C\C(=O)O 4625AF [0,2,0,0,0,0|0,0,2]=4 123 B8R0.28 N=C(N)SCCC(=O)O M147 [0,2,0,0,0,0|0,0,1]=3 124 B8R0.28 O=C([O-])COCC(=O)O 7181AF [0,2,0,0,0,0|1,0,1]=4 125 B8R0.12 C#CC[C@@](C)(N)C(=O)O 0593AP [0,2,0,0,0,0|1,0,1]=4 126 B8R0.12 CCCC(C)(C)C(=O)Cl U535 [0,2,0,0,0,0|2,0,0]=4 127 B8R0.12 NCCC(F)(F)C(=O)O 3596AD [0,2,0,0,0,0|0,0,0]=2 128 B8R0.15 CCCC(NC)C(=O)O 0624AP [0,2,0,0,0,0|1,0,0]=3 129 B8R0.29 CC(C)(C)NCC(=O)O 8665AB [0,2,0,0,0,0|2,0,0]=4 130 B6R1.2 O=C1CCNC1 R079 [1,0,0,1,0,0|1,0,0]=3 131 B6R1.2 O=C1CS[Ca]O1 7318AL [1,0,0,1,0,0|2,0,0]=4 132 B6R1.2 OC1CCCO1 5572AJ [1,0,0,1,0,0|0,0,2]=4 133 B6R1.11 NC(=O)C1CO1 0131AQ [1,0,0,1,0,0|2,0,0]=4 134 B6R1.1 C1=CCCCC1 6616AH [1,0,0,1,0,0|2,0,0]=4 135 B6R1.1 C1CCNCC1 X3730 [1,0,0,1,0,0|1,0,1]=4 136 B6R1.4 O=C1CCC1Br 0705AD [1,0,0,1,0,0|1,0,0]=3 137 B6R1.4 O=C1CCC1Cl 7041AD [1,0,0,1,0,0|1,0,0]=3 138 B8R1.1 C=CC1COC(=O)C1 3286AH [0,1,0,1,0,0|1,0,1]=4 139 B8R1.1 O=C1C[C@H](CF)CO1 2632AC [0,1,0,1,0,0|1,0,0]=3 140 B8R1.4 CC1CCOC(=O)C1 2149AA [0,1,0,1,0,0|1,0,0]=3 141 B8R1.4 CN1CCCC(O)C1 L535 [0,1,0,1,0,0|1,0,1]=4 142 B8R1.4 C[C@H]1CNCC(=O)N1 7823AA [0,1,0,1,0,0|2,0,0]=4 143 B8R1.4 NC1CCCC(=O)C1 7456AA [0,1,0,1,0,0|1,0,0]=3 144 B8R1.4 NC1CCCC(=O)C1 V9436 [0,1,0,1,0,0|1,0,0]=3 145 B8R1.4 NC1CCNC(=O)C1 V1291 [0,1,0,1,0,0|1,0,0]=3 146 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 8375AH [0,1,0,1,0,0|1,0,1]=4 147 B8R1.4 N[C@@H]1CCC[C@H](O)C1 8415AH [0,1,0,1,0,0|1,0,1]=4 148 B8R1.4 N[C@H]1CCC[C@@H](O)C1 3937AJ [0,1,0,1,0,0|1,0,1]=4 149 B8R1.4 N[C@H]1CCC[C@@H](O)C1 X6750 [0,1,0,1,0,0|1,0,1]=4 150 B8R1.4 O=C1CNCC(=O)C1 4461AJ [0,1,0,1,0,0|1,0,1]=4 151 B8R1.34 O=C(O)CC1CNC1 9588AA [0,1,0,1,0,0|0,0,0]=2 152 B8R1.51 O=C1CCC(F)(F)C1 3912AA [0,1,0,1,0,0|2,0,0]=4 153 B8R1.51 O=C1CCS(=O)(=O)O1 7024AF [0,1,0,1,0,0|2,0,0]=4 154 B8R1.3 NC1CCC(=O)CC1 X7969 [0,1,0,1,0,0|1,0,0]=3 155 B8R1.5 CC1CCNCC1=O 2896AJ [0,1,0,1,0,0|1,0,0]=3 156 B8R1.22 O=C1CCCCCN1 X5632 [0,1,0,1,0,0|2,0,0]=4 157 B8R1.22 O=S1CCCNCC1 1742AA [0,1,0,1,0,0|2,0,0]=4 158 B8R1.50 CC1=C(O)C(=O)CC1 5650AL [0,1,0,1,0,0|1,0,1]=4 159 B8R1.50 CC1CCC(=O)N1C 0337AQ [0,1,0,1,0,0|2,0,0]=4 160 B8R1.7 CC(=O)C1CCCN1 1442AJ [0,1,0,1,0,0|1,0,0]=3 161 B8R1.7 OC(=S)[C@H]1CCCO1 X5836 [0,1,0,1,0,0|1,1,0]=4 162 B8R1.23 C=C1CC(C(=O)O)C1 Y3148 [0,1,0,1,0,0|1,0,1]=4