0 B6R0.9 CCN(CC)CC 00319 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.9 CC[O+](CC)CC 31524 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.9 CC[SiH](CC)CC 24543 [0,0,0,0,0,0|1,1,1]=3 3 B6R0.9 COC(CBr)OC 26739 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.9 COC(CN)OC 21988 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.3 BrCC(Br)CBr 07260 [1,0,0,0,0,0|3,0,0]=4 6 B5R0.3 CCN(C)CC 22533 [1,0,0,0,0,0|1,0,1]=3 7 B5R0.3 CNC(=O)CN 03070 [1,0,0,0,0,0|2,0,1]=4 8 B5R0.3 CNC(=O)NC 02542 [1,0,0,0,0,0|2,0,1]=4 9 B5R0.3 COC(=O)CBr 14023 [1,0,0,0,0,0|2,0,1]=4 10 B5R0.3 COC(=O)CN 03074 [1,0,0,0,0,0|2,0,1]=4 11 B5R0.3 NC(CO)CO 31958 [1,0,0,0,0,0|3,0,0]=4 12 B5R0.3 NCC(O)CO 31959 [1,0,0,0,0,0|2,0,1]=4 13 B5R0.3 O=CC(O)CO 20937 [1,0,0,0,0,0|2,0,0]=3 14 B5R0.3 O=C[C@H](O)CO 21212 [1,0,0,0,0,0|2,0,0]=3 15 B5R0.3 OC(CCl)CCl 26763 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.3 OCC(O)CO 00599 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.3 OCC(O)CO 30144 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.3 OCC(O)CS 00691 [1,0,0,0,0,0|2,0,1]=4 19 B7R0.15 CN[C@@H](CO)C(=O)O 06357 [0,1,0,0,0,0|2,0,0]=3 20 B7R0.18 CC[N+](C)(CC)CC 31265 [0,1,0,0,0,0|2,0,1]=4 21 B7R0.18 CC[N+](C)(CC)CC 31584 [0,1,0,0,0,0|2,0,1]=4 22 B7R1.1 ClCC1CCNC1 20120 [0,0,0,1,0,0|2,0,1]=4 23 B7R1.1 N#CC1CCNC1 19500 [0,0,0,1,0,0|2,0,1]=4 24 B7R1.1 OCC1CCNC1 19499 [0,0,0,1,0,0|1,0,2]=4 25 B7R1.1 OC[C@@H]1CCCN1 03214 [0,0,0,1,0,0|1,0,2]=4 26 B7R1.1 OC[C@H]1CCCN1 03215 [0,0,0,1,0,0|1,0,2]=4 27 B7R1.1 ON=C1CCCC1 26775 [0,0,0,1,0,0|1,0,2]=4 28 B4R0.1 C=C(C)CN 22406 [2,0,0,0,0,0|1,0,1]=4 29 B4R0.1 CC(C)NN 31308 [2,0,0,0,0,0|2,0,0]=4 30 B4R0.1 CC(C)NO 31263 [2,0,0,0,0,0|1,0,1]=4 31 B4R0.1 CC(O)CO 02837 [2,0,0,0,0,0|1,0,1]=4 32 B4R0.1 CC(O)CO 30099 [2,0,0,0,0,0|1,0,1]=4 33 B4R0.1 CCC(=O)O 01518 [2,0,0,0,0,0|1,0,1]=4 34 B4R0.1 CCC(=O)O 30086 [2,0,0,0,0,0|1,0,1]=4 35 B4R0.1 CCC(=O)[O-] 01519 [2,0,0,0,0,0|1,0,1]=4 36 B4R0.1 CN(C)C=O 00575 [2,0,0,0,0,0|1,0,0]=3 37 B4R0.1 CN(C)C=O 30143 [2,0,0,0,0,0|1,0,0]=3 38 B4R0.1 CNC(C)=O 27186 [2,0,0,0,0,0|1,0,1]=4 39 B4R0.1 C[C@@H](N)CO 03170 [2,0,0,0,0,0|2,0,0]=4 40 B4R0.1 C[C@@H](O)CN 16633 [2,0,0,0,0,0|1,0,1]=4 41 B4R0.1 C[C@H](N)CO 03169 [2,0,0,0,0,0|2,0,0]=4 42 B4R0.1 C[C@H](O)CN 16632 [2,0,0,0,0,0|1,0,1]=4 43 B4R0.1 C[N+](C)=CCl 30327 [2,0,0,0,0,0|2,0,0]=4 44 B4R0.2 C#CCCC 27222 [2,0,0,0,0,0|0,0,2]=4 45 B4R0.2 C=CCCBr 24439 [2,0,0,0,0,0|2,0,0]=4 46 B4R0.2 CCCCBr 24440 [2,0,0,0,0,0|1,0,0]=3 47 B4R0.2 CCNCC 14089 [2,0,0,0,0,0|1,0,0]=3 48 B4R0.2 CNCCCl 22455 [2,0,0,0,0,0|2,0,0]=4 49 B4R0.2 COCCBr 26740 [2,0,0,0,0,0|2,0,0]=4 50 B4R0.2 ClCCCBr 24449 [2,0,0,0,0,0|2,0,0]=4 51 B4R0.2 NCCCBr 15159 [2,0,0,0,0,0|2,0,0]=4 52 B4R0.2 NCCCN 24749 [2,0,0,0,0,0|2,0,0]=4 53 B4R0.2 NCCCO 15138 [2,0,0,0,0,0|2,0,0]=4 54 B4R0.2 OCCCBr 24461 [2,0,0,0,0,0|2,0,0]=4 55 B4R0.2 OCCCO 24462 [2,0,0,0,0,0|2,0,0]=4 56 B6R0.1 CCC[C@@H](N)CO 16570 [1,1,0,0,0,0|2,0,0]=4 57 B6R0.1 CCC[C@H](N)CO 16550 [1,1,0,0,0,0|2,0,0]=4 58 B6R0.1 CCOC(=O)CN 03073 [1,1,0,0,0,0|1,0,1]=4 59 B6R0.1 CNCC(=O)OC 03135 [1,1,0,0,0,0|1,0,1]=4 60 B6R0.1 COC(=O)CCBr 06991 [1,1,0,0,0,0|1,0,1]=4 61 B6R0.1 COC(=O)CCN 04408 [1,1,0,0,0,0|1,0,1]=4 62 B6R0.3 CC(C)[C@@H](N)CO 05378 [1,1,0,0,0,0|2,0,0]=4 63 B6R0.3 CC(C)[C@H](N)CO 03236 [1,1,0,0,0,0|2,0,0]=4 64 B6R0.3 CC(C)[C@H](N)CO 21447 [1,1,0,0,0,0|2,0,0]=4 65 B6R0.3 CC(CN)C(=O)O 21653 [1,1,0,0,0,0|1,0,0]=3 66 B6R0.3 CCC(=O)C(=O)[O-] 00470 [1,1,0,0,0,0|1,0,1]=4 67 B6R0.3 CCC(O)C(=O)[O-] 21649 [1,1,0,0,0,0|1,0,0]=3 68 B6R0.3 CC[C@@H](N)C(=O)O 00806 [1,1,0,0,0,0|1,0,0]=3 69 B6R0.3 CC[C@H](N)C(=O)O 01432 [1,1,0,0,0,0|1,0,0]=3 70 B6R0.3 CC[C@H](N)C(N)=O 05812 [1,1,0,0,0,0|1,0,0]=3 71 B6R0.3 CC[C@H](N)C(N)=O 11653 [1,1,0,0,0,0|1,0,0]=3 72 B6R0.3 CC[C@H](O)C(=O)O 21126 [1,1,0,0,0,0|1,0,0]=3 73 B6R0.3 CNC(=O)[C@H](C)N 05833 [1,1,0,0,0,0|1,0,1]=4 74 B6R0.3 CNC(C)C(=O)O 06342 [1,1,0,0,0,0|1,0,0]=3 75 B6R0.3 CN[C@@H](C)C(=O)O 02647 [1,1,0,0,0,0|1,0,0]=3 76 B6R0.3 CN[C@H](C)C(=O)O 04405 [1,1,0,0,0,0|1,0,0]=3 77 B6R0.3 COC(=O)C(C)N 06029 [1,1,0,0,0,0|1,0,1]=4 78 B6R0.3 COC(=O)[C@@H](C)N 03016 [1,1,0,0,0,0|1,0,1]=4 79 B6R0.3 COC(=O)[C@H](C)N 02890 [1,1,0,0,0,0|1,0,1]=4 80 B6R0.3 COC(C)C(C)O 14429 [1,1,0,0,0,0|1,0,1]=4 81 B6R0.3 CON(C)C(C)=O 31364 [1,1,0,0,0,0|2,0,0]=4 82 B6R0.3 C[C@@H](O)[C@@H](N)CO 05647 [1,1,0,0,0,0|2,0,0]=4 83 B6R0.3 C[C@@H](O)[C@H](N)CO 06286 [1,1,0,0,0,0|2,0,0]=4 84 B6R0.3 C[C@H](O)[C@@H](N)CO 12030 [1,1,0,0,0,0|2,0,0]=4 85 B6R0.3 C[C@H](O)[C@H](N)CO 06282 [1,1,0,0,0,0|2,0,0]=4 86 B6R0.3 NC(=O)[C@@H](N)CO 09121 [1,1,0,0,0,0|2,0,0]=4 87 B6R0.3 NC(CCl)C(=O)O 06231 [1,1,0,0,0,0|2,0,0]=4 88 B6R0.3 NC(CF)C(=O)O 07044 [1,1,0,0,0,0|2,0,0]=4 89 B6R0.3 NC(CO)C(=O)O 00556 [1,1,0,0,0,0|2,0,0]=4 90 B6R0.3 NC(CS)C(=O)O 21500 [1,1,0,0,0,0|2,0,0]=4 91 B6R0.3 NC(CS)C(=O)O 21624 [1,1,0,0,0,0|2,0,0]=4 92 B6R0.3 NC(CS)C(=O)O 21654 [1,1,0,0,0,0|2,0,0]=4 93 B6R0.3 NCC(N)C(=O)O 21559 [1,1,0,0,0,0|2,0,0]=4 94 B6R0.3 NCC(O)C(=O)O 07068 [1,1,0,0,0,0|2,0,0]=4 95 B6R0.3 NC[C@@H](N)C(=O)O 05645 [1,1,0,0,0,0|2,0,0]=4 96 B6R0.3 NC[C@H](N)C(=O)O 01314 [1,1,0,0,0,0|2,0,0]=4 97 B6R0.3 N[C@@H](CCl)C(=O)O 06226 [1,1,0,0,0,0|2,0,0]=4 98 B6R0.3 N[C@@H](CCl)C(=O)O 06227 [1,1,0,0,0,0|2,0,0]=4 99 B6R0.3 N[C@@H](CO)C(=O)O 00279 [1,1,0,0,0,0|2,0,0]=4 100 B6R0.3 N[C@@H](CS)C(=O)O 00085 [1,1,0,0,0,0|2,0,0]=4 101 B6R0.3 N[C@@H](CS)C(=O)O 00087 [1,1,0,0,0,0|2,0,0]=4 102 B6R0.3 N[C@@H](CS)C(=O)O 00437 [1,1,0,0,0,0|2,0,0]=4 103 B6R0.3 N[C@@H](CS)C(=O)O 24758 [1,1,0,0,0,0|2,0,0]=4 104 B6R0.3 N[C@@H](CS)C(=O)O 31108 [1,1,0,0,0,0|2,0,0]=4 105 B6R0.3 N[C@H](CCl)C(=O)O 06229 [1,1,0,0,0,0|2,0,0]=4 106 B6R0.3 N[C@H](CO)C(=O)O 00262 [1,1,0,0,0,0|2,0,0]=4 107 B6R0.3 N[C@H](CS)C(=O)O 00086 [1,1,0,0,0,0|2,0,0]=4 108 B6R0.3 N[C@H](CS)C(=O)O 21754 [1,1,0,0,0,0|2,0,0]=4 109 B8R0.15 CCC[C@H](NC)C(=O)O 09615 [0,2,0,0,0,0|1,0,0]=3 110 B8R0.16 COC(CC(C)=O)OC 27194 [0,2,0,0,0,0|2,0,0]=4 111 B8R0.20 CCN(CC)C(=S)S[Ag] 24481 [0,2,0,0,0,0|1,1,0]=4 112 B8R0.20 CCN(CC)C(=S)S[Na] 22944 [0,2,0,0,0,0|1,1,0]=4 113 B8R0.22 CCCC(C#N)CCC 28514 [0,2,0,0,0,0|1,0,1]=4 114 B8R0.22 CCOC(CBr)OCC 24438 [0,2,0,0,0,0|1,0,1]=4 115 B8R0.18 CNC(C(=O)O)C(C)C 06344 [0,2,0,0,0,0|1,0,0]=3 116 B8R0.18 CN[C@@H](C(=O)O)C(C)C 04461 [0,2,0,0,0,0|1,0,0]=3 117 B8R0.18 CN[C@H](C(=O)O)C(C)C 02677 [0,2,0,0,0,0|1,0,0]=3 118 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O 09616 [0,2,0,0,0,0|1,0,0]=3 119 B8R0.36 CCC(N)(CC)C(=O)O 07125 [0,2,0,0,0,0|0,0,0]=2 120 B6R1.2 BrC1CCCC1 14052 [1,0,0,1,0,0|1,0,0]=3 121 B6R1.2 ClC1CCCC1 26772 [1,0,0,1,0,0|1,0,0]=3 122 B6R1.2 F[C@@H]1CCNC1 16524 [1,0,0,1,0,0|2,0,0]=4 123 B6R1.2 F[C@H]1CCNC1 16630 [1,0,0,1,0,0|2,0,0]=4 124 B6R1.2 NC1CCOC1 18225 [1,0,0,1,0,0|2,0,0]=4 125 B6R1.2 O=C1CCCC1 26774 [1,0,0,1,0,0|0,0,1]=3 126 B6R1.2 O=C1CCCN1 26934 [1,0,0,1,0,0|1,0,1]=4 127 B6R1.2 O=C1CCNC1 31268 [1,0,0,1,0,0|1,0,1]=4 128 B6R1.2 O=C1CCSC1 29785 [1,0,0,1,0,0|1,0,1]=4 129 B6R1.2 O[C@@H]1CCNC1 16552 [1,0,0,1,0,0|1,0,1]=4 130 B6R1.2 O[C@@H]1CCNC1 28168 [1,0,0,1,0,0|1,0,1]=4 131 B6R1.2 O[C@H]1CCNC1 16510 [1,0,0,1,0,0|1,0,1]=4 132 B6R1.6 NNC1CCC1 18184 [1,0,0,1,0,0|2,0,0]=4 133 B8R1.1 NCC1CCC(=O)N1 19074 [0,1,0,1,0,0|1,0,0]=3 134 B8R1.1 O=C1CC[C@@H](CO)N1 06624 [0,1,0,1,0,0|1,0,0]=3 135 B8R1.2 CNC1CCNCC1 20318 [0,1,0,1,0,0|2,0,0]=4 136 B8R1.2 CNC1CCOCC1 17536 [0,1,0,1,0,0|2,0,0]=4 137 B8R1.2 CNC1CCOCC1 19444 [0,1,0,1,0,0|2,0,0]=4 138 B8R1.2 COC1CCNCC1 20310 [0,1,0,1,0,0|2,0,0]=4 139 B8R1.2 NCC1CCCCO1 19333 [0,1,0,1,0,0|1,0,1]=4 140 B8R1.2 NCC1CCCOC1 17780 [0,1,0,1,0,0|1,0,1]=4 141 B8R1.2 NNC1CCCCC1 31309 [0,1,0,1,0,0|2,0,0]=4 142 B8R1.2 NOC1CCCCO1 31337 [0,1,0,1,0,0|2,0,0]=4 143 B8R1.2 O=CC1CCCCC1 24451 [0,1,0,1,0,0|0,0,0]=2 144 B8R1.2 O=CC1CCCOC1 18226 [0,1,0,1,0,0|0,0,0]=2 145 B8R1.2 O=CC1CCOCC1 17391 [0,1,0,1,0,0|0,0,0]=2 146 B8R1.2 OCC1CCC=CO1 12987 [0,1,0,1,0,0|2,0,0]=4 147 B8R1.2 OCC1CCNCC1 28956 [0,1,0,1,0,0|0,0,2]=4 148 B8R1.8 COC[C@@H]1CCCN1 06620 [0,1,0,1,0,0|2,0,0]=4 149 B8R1.8 COC[C@H]1CCCN1 12146 [0,1,0,1,0,0|2,0,0]=4 150 B8R1.8 NCCC1CCCC1 18718 [0,1,0,1,0,0|1,0,1]=4 151 B8R1.11 CCN1CCCC1=O 26864 [0,1,0,1,0,0|1,0,0]=3 152 B8R1.7 CC(=O)C1CCNC1 26376 [0,1,0,1,0,0|1,0,0]=3 153 B8R1.7 CC(C)C1CCCN1 23556 [0,1,0,1,0,0|2,0,0]=4 154 B8R1.7 NC(=O)C1CCCN1 08464 [0,1,0,1,0,0|1,0,0]=3 155 B8R1.7 NC(=O)[C@@H]1CCCN1 01859 [0,1,0,1,0,0|1,0,0]=3 156 B8R1.7 NC(=O)[C@@H]1CCCN1 06198 [0,1,0,1,0,0|1,0,0]=3 157 B8R1.7 NC(=O)[C@H]1CCCN1 04445 [0,1,0,1,0,0|1,0,0]=3 158 B8R1.7 NC(=O)[C@H]1CCCN1 05999 [0,1,0,1,0,0|1,0,0]=3 159 B8R1.7 O=C(O)C1CCCN1 01318 [0,1,0,1,0,0|1,0,0]=3 160 B8R1.7 O=C(O)C1CCNC1 17812 [0,1,0,1,0,0|1,0,0]=3 161 B8R1.7 O=C(O)[C@@H]1CCCN1 00256 [0,1,0,1,0,0|1,0,0]=3 162 B8R1.7 O=C(O)[C@@H]1CCCO1 30721 [0,1,0,1,0,0|1,0,0]=3 163 B8R1.7 O=C(O)[C@@H]1CSCN1 02603 [0,1,0,1,0,0|2,0,0]=4 164 B8R1.7 O=C(O)[C@H]1CCCN1 00355 [0,1,0,1,0,0|1,0,0]=3 165 B8R1.7 O=C(O)[C@H]1CCCO1 30720 [0,1,0,1,0,0|1,0,0]=3 166 B8R1.7 O=C(O)[C@H]1CSCN1 05346 [0,1,0,1,0,0|2,0,0]=4 167 B8R1.7 OB(O)C1CCCC1 28463 [0,1,0,1,0,0|1,0,1]=4 168 B8R1.63 CNC1(C(=O)O)CC1 07074 [0,1,0,1,0,0|1,0,0]=3