0 B6R0.3 C=C(CBr)C(=O)O 74879 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.3 C=C(I)[C@@H](C)CI 27069 [0,0,0,0,0,0|4,0,0]=4 2 B6R0.3 C=C[C@H](C)C(=O)O T72590 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.3 C=C[C@H](N)C(=O)O 33352 [0,0,0,0,0,0|1,0,1]=2 4 B6R0.3 C=C[C@H](N)C(=O)O 39549 [0,0,0,0,0,0|1,0,1]=2 5 B6R0.3 CCN(C)C(C)=O F19909 [0,0,0,0,0,0|4,0,0]=4 6 B6R0.3 CC[C@H](C)C(=O)O 88659 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.3 CC[C@H](N)C(N)=O I10243 [0,0,0,0,0,0|2,0,0]=2 8 B6R0.3 CC[C@H](N)[C@@H](C)O N14663 [0,0,0,0,0,0|2,0,1]=3 9 B6R0.3 C[C@@H](CN)C(=O)O F15101 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.3 C[C@@H](CN)C(=O)O F15242 [0,0,0,0,0,0|2,0,0]=2 11 B6R0.3 C[C@@H](CO)C(=O)O FD6004 [0,0,0,0,0,0|1,1,0]=2 12 B6R0.3 C[C@H](C#N)C(=O)O C75969 [0,0,0,0,0,0|2,0,1]=3 13 B6R0.3 C[C@H](ON)C(=O)O AT14512 [0,0,0,0,0,0|3,0,0]=3 14 B6R0.3 C[C@H](ON)C(=O)O Y13476 [0,0,0,0,0,0|3,0,0]=3 15 B6R0.3 N#C[C@@H](Br)C(N)=O A11896 [0,0,0,0,0,0|3,0,1]=4 16 B6R0.3 NC(=O)[C@@H](N)CO D75098 [0,0,0,0,0,0|1,1,0]=2 17 B6R0.3 NC[C@H](F)C(=O)O T73016 [0,0,0,0,0,0|2,0,0]=2 18 B6R0.3 NC[C@H](O)C(=O)O O10173 [0,0,0,0,0,0|2,0,0]=2 19 B6R0.3 N[C@@H](CCl)C(=O)O FD21124 [0,0,0,0,0,0|1,0,0]=1 20 B6R0.3 O=C(O)[C@@H](Br)CO A10085 [0,0,0,0,0,0|1,1,0]=2 21 B6R0.3 O=C(O)[C@@H](Br)CO AB19244 [0,0,0,0,0,0|1,1,0]=2 22 B6R0.3 O=C(O)[C@@H](O)CCl 84142 [0,0,0,0,0,0|2,0,0]=2 23 B5R0.1 CNCC(=O)[O-] F20742 [1,0,0,0,0,0|2,0,1]=4 24 B5R0.1 C[C@H](O)CCN 83616 [1,0,0,0,0,0|2,0,1]=4 25 B5R0.1 N#CCC(=O)[O-] D70707 [1,0,0,0,0,0|1,0,2]=4 26 B5R0.1 O=C(O)\C=C\Br AC1121 [1,0,0,0,0,0|1,0,2]=4 27 B5R0.1 O=C(O)\C=C\I W15430 [1,0,0,0,0,0|1,0,2]=4 28 B5R0.3 C=C[C@@H](N)CO 52208 [1,0,0,0,0,0|1,1,0]=3 29 B5R0.3 C=C[C@@H](N)CO 52209 [1,0,0,0,0,0|1,1,0]=3 30 B5R0.3 C=C[C@@H](N)CO 52211 [1,0,0,0,0,0|1,1,0]=3 31 B5R0.3 C=C[C@@H](O)CO 56500 [1,0,0,0,0,0|2,1,0]=4 32 B5R0.3 CC[C@H](N)C#N 98383 [1,0,0,0,0,0|2,0,1]=4 33 B5R0.3 C[C@@H](CO)CBr AB3182 [1,0,0,0,0,0|2,0,1]=4 34 B5R0.3 NC[C@H](F)CO 94841 [1,0,0,0,0,0|2,0,1]=4 35 B5R0.3 NC[C@H](F)CO 94845 [1,0,0,0,0,0|2,0,1]=4 36 B5R0.3 NC[C@H](F)CO 94846 [1,0,0,0,0,0|2,0,1]=4 37 B5R0.3 OC[C@H](O)CF 65949 [1,0,0,0,0,0|2,0,1]=4 38 B5R0.3 OC[C@H](O)CF F14582 [1,0,0,0,0,0|2,0,1]=4 39 B5R0.5 CC(=O)C(N)=S 93979 [1,0,0,0,0,0|1,0,2]=4 40 B5R0.5 CC(=O)[C@H](C)N D76571 [1,0,0,0,0,0|1,0,0]=2 41 B5R0.5 C[C@H](N)C(N)=O 25148 [1,0,0,0,0,0|1,0,0]=2 42 B5R0.5 C[C@H](O)C(=N)N 71516 [1,0,0,0,0,0|3,0,0]=4 43 B5R0.5 C[C@H](O)[C@H](C)O C91323 [1,0,0,0,0,0|2,0,1]=4 44 B7R0.5 C#CC[C@H](N)C(=O)O C73254 [0,1,0,0,0,0|1,0,0]=2 45 B7R0.5 C#CC[C@H](N)C(=O)O F12349 [0,1,0,0,0,0|1,0,0]=2 46 B7R0.5 C=CC[C@H](N)C(=O)O 67602 [0,1,0,0,0,0|1,0,0]=2 47 B7R0.5 CC(=O)[C@@H](Cl)CCO 74627 [0,1,0,0,0,0|2,1,0]=4 48 B7R0.5 CCC[C@H](O)C(=O)O 77792 [0,1,0,0,0,0|2,0,0]=3 49 B7R0.5 CNC[C@H](N)C(=O)O N10392 [0,1,0,0,0,0|1,0,0]=2 50 B7R0.5 COC[C@H](Br)C(=O)O C76037 [0,1,0,0,0,0|1,1,0]=3 51 B7R0.5 COC[C@H](Cl)C(=O)O T70661 [0,1,0,0,0,0|1,1,0]=3 52 B7R0.5 C[C@H](NC=O)C(=O)O FD21046 [0,1,0,0,0,0|1,1,1]=4 53 B7R0.5 C[Se]C[C@H](N)C(=O)O D95282 [0,1,0,0,0,0|0,1,0]=2 54 B7R0.5 NCC[C@H](F)C(=O)O D71941 [0,1,0,0,0,0|2,0,0]=3 55 B7R0.5 NCC[C@H](N)C(=O)O FD1070 [0,1,0,0,0,0|1,0,0]=2 56 B7R0.5 N[C@@H](CCS)C(=O)O C11384 [0,1,0,0,0,0|0,0,0]=1 57 B7R0.5 N[C@@H](CCS)C(=O)O I11579 [0,1,0,0,0,0|0,0,0]=1 58 B7R0.10 C=C(CCl)C(=O)OC 36746 [0,1,0,0,0,0|2,0,1]=4 59 B7R0.10 CC[C@H](Br)C(=O)OC D86786 [0,1,0,0,0,0|2,0,0]=3 60 B7R0.10 CC[C@H](O)C(=O)OC 98375 [0,1,0,0,0,0|2,0,0]=3 61 B7R0.10 CN[C@@H](C)C(=O)OC D84514 [0,1,0,0,0,0|3,0,0]=4 62 B7R0.10 COC(=O)[C@@H](Br)CO AB21729 [0,1,0,0,0,0|1,1,0]=3 63 B7R0.10 COC(=O)[C@@H](C)CBr T71508 [0,1,0,0,0,0|2,0,0]=3 64 B7R0.10 COC(=O)[C@@H](Cl)CCl D77820 [0,1,0,0,0,0|2,0,0]=3 65 B7R0.10 COC(=O)[C@@H](N)CCl FD3044 [0,1,0,0,0,0|1,0,0]=2 66 B7R0.10 COC(=O)[C@@H](O)CN AC4978 [0,1,0,0,0,0|2,0,0]=3 67 B7R0.10 COC(=O)[C@@H](O)CN D97235 [0,1,0,0,0,0|2,0,0]=3 68 B7R0.10 COC(=O)[C@@H](O)CO FD9041 [0,1,0,0,0,0|1,1,0]=3 69 B7R0.10 O[C@@H](CS)[C@@H](O)CS T70362 [0,1,0,0,0,0|1,1,1]=4 70 B7R0.13 C=CC(C)(C)C(=O)O F12167 [0,1,0,0,0,0|2,0,1]=4 71 B7R0.13 CC(=O)C(C)(C)CO Y13534 [0,1,0,0,0,0|2,1,0]=4 72 B7R0.13 CC(C)(C#N)C(=O)O 30621 [0,1,0,0,0,0|2,0,1]=4 73 B7R0.13 CC(C)(CN)C(=O)O D76726 [0,1,0,0,0,0|2,0,0]=3 74 B7R0.13 CC[C@](C)(N)C(=O)O 63927 [0,1,0,0,0,0|1,0,0]=2 75 B7R0.13 CC[C@](C)(N)C(=O)O F12073 [0,1,0,0,0,0|1,0,0]=2 76 B7R0.13 CC[C@](C)(O)C(=O)O D78565 [0,1,0,0,0,0|2,0,0]=3 77 B7R0.13 C[C@](Cl)(CCl)C(=O)O W18728 [0,1,0,0,0,0|2,0,0]=3 78 B7R0.13 C[C@](N)(CO)C(=O)O 64334 [0,1,0,0,0,0|0,1,0]=2 79 B7R0.13 NCC(F)(F)C(=O)O 51202 [0,1,0,0,0,0|2,0,0]=3 80 B7R0.15 CC[C@H](NC)C(=O)O W18322 [0,1,0,0,0,0|1,0,0]=2 81 B7R0.15 CC[C@H](OC)C(=O)O AC6372 [0,1,0,0,0,0|2,0,0]=3 82 B7R0.15 CN[C@@H](CO)C(=O)O F11106 [0,1,0,0,0,0|0,1,0]=2 83 B7R0.16 CC(=O)C(N)C(C)=O F17513 [0,1,0,0,0,0|1,1,1]=4 84 B7R0.16 CC(C)[C@H](C)C(=O)O F17074 [0,1,0,0,0,0|2,0,0]=3 85 B7R0.16 CC(C)[C@H](C)C(=O)O I11272 [0,1,0,0,0,0|2,0,0]=3 86 B7R0.16 CC(C)[C@H](N)C(N)=O AC1523 [0,1,0,0,0,0|2,0,0]=3 87 B7R0.16 C[C@@H](C(=O)O)N(C)C FD21039 [0,1,0,0,0,0|3,0,0]=4 88 B7R0.16 C[C@@H](C(=O)O)N(C)C FD21040 [0,1,0,0,0,0|3,0,0]=4 89 B7R0.16 C[C@H](O)[C@H](N)C(=O)O T70290 [0,1,0,0,0,0|0,1,0]=2 90 B7R0.16 O=C(O)C(F)C(=O)O A51197 [0,1,0,0,0,0|1,1,1]=4 91 B7R0.16 O=C(O)C(O)C(=O)O H10518 [0,1,0,0,0,0|1,1,1]=4 92 B7R1.4 NC1COCC1O O11159 [0,0,0,1,0,0|1,1,1]=4 93 B7R1.4 NN1CCOC1=O S10190 [0,0,0,1,0,0|2,0,0]=3 94 B7R1.4 N[C@@H]1CCC[C@@H]1O P10925 [0,0,0,1,0,0|2,0,1]=4 95 B7R1.4 N[C@@H]1COC[C@@H]1O F53671 [0,0,0,1,0,0|1,1,1]=4 96 B7R1.4 N[C@@H]1COC[C@@H]1O P12686 [0,0,0,1,0,0|1,1,1]=4 97 B7R1.4 N[C@H]1CCC[C@@H]1O 71753 [0,0,0,1,0,0|2,0,1]=4 98 B7R1.4 N[C@H]1CCNC1=O 51276 [0,0,0,1,0,0|2,0,0]=3 99 B7R1.4 N[C@H]1CCNC1=O 51277 [0,0,0,1,0,0|2,0,0]=3 100 B7R1.4 N[C@H]1CCNC1=O 51278 [0,0,0,1,0,0|2,0,0]=3 101 B7R1.4 N[C@H]1CCNC1=O F14678 [0,0,0,1,0,0|2,0,0]=3 102 B7R1.4 N[C@H]1CCSC1=O O10218 [0,0,0,1,0,0|1,1,0]=3 103 B7R1.4 N[C@H]1COC[C@@H]1O 71841 [0,0,0,1,0,0|1,1,1]=4 104 B7R1.4 N[C@H]1COC[C@@H]1O P12486 [0,0,0,1,0,0|1,1,1]=4 105 B7R1.4 N[C@H]1COC[C@@H]1O P15828 [0,0,0,1,0,0|1,1,1]=4 106 B7R1.4 N[C@H]1CONC1=O FD3007 [0,0,0,1,0,0|1,1,0]=3 107 B7R1.4 O=C1NCC[C@@H]1Br 78555 [0,0,0,1,0,0|3,0,0]=4 108 B7R1.4 O=C1OCC[C@@H]1O F14291 [0,0,0,1,0,0|2,0,0]=3 109 B7R1.8 O=C1CC[C@@H]1CO P13853 [0,0,0,1,0,0|2,1,0]=4 110 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P12613 [0,0,0,1,0,0|2,0,0]=3 111 B7R1.12 C[C@H]1C[C@@H]1C(=O)O 72828 [0,0,0,1,0,0|2,0,0]=3 112 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I CS3201 [0,0,0,1,0,0|2,0,0]=3 113 B7R1.12 O=C(O)[C@H]1C[C@@H]1F P15680 [0,0,0,1,0,0|2,0,0]=3 114 B7R1.18 CC(=O)C1COC1 79962 [0,0,0,1,0,0|2,1,0]=4 115 B7R1.18 NC(=O)C1CCC1 20365 [0,0,0,1,0,0|3,0,0]=4 116 B7R1.18 NC(=O)[C@@H]1CCN1 20741 [0,0,0,1,0,0|2,0,0]=3 117 B7R1.18 NC(=O)[C@@H]1CCN1 21273 [0,0,0,1,0,0|2,0,0]=3 118 B7R1.18 O=C(O)C1=CCC1 P16818 [0,0,0,1,0,0|2,0,1]=4 119 B7R1.18 O=C(O)C1COC1 81314 [0,0,0,1,0,0|1,1,0]=3 120 B7R1.18 O=C(O)C1CSC1 P12604 [0,0,0,1,0,0|1,0,0]=2 121 B7R1.18 O=C(O)[C@@H]1CCO1 32900 [0,0,0,1,0,0|2,0,0]=3 122 B7R1.19 CC(=O)C1(Cl)CC1 D86180 [0,0,0,1,0,0|3,0,0]=4 123 B7R1.19 NC(=O)C1(Br)CC1 D85812 [0,0,0,1,0,0|3,0,0]=4 124 B7R1.19 NC(=O)C1(N)CC1 72646 [0,0,0,1,0,0|2,0,0]=3 125 B7R1.19 NC(=O)C1(N)CC1 P15295 [0,0,0,1,0,0|2,0,0]=3 126 B7R0.2 CC[C@H](C)CC(=O)O 63986 [0,0,0,0,0,1|2,0,0]=3 127 B7R0.2 CC[C@H](C)CC(C)=O A11862 [0,0,0,0,0,1|3,0,0]=4 128 B7R0.2 CC[C@H](N)CC(=O)O 51922 [0,0,0,0,0,1|1,0,0]=2 129 B7R0.2 CC[C@H](N)CC(=O)O 52000 [0,0,0,0,0,1|1,0,0]=2 130 B7R0.2 CC[C@H](O)CC(=O)O C14017 [0,0,0,0,0,1|2,0,0]=3 131 B7R0.2 N[C@H](CO)CC(=O)O D95019 [0,0,0,0,0,1|0,1,0]=2 132 B7R0.2 N[C@H](CO)CC(=O)O F14029 [0,0,0,0,0,1|0,1,0]=2 133 B4R0.1 C#C[C@H](C)N AB1311 [2,0,0,0,0,0|1,0,1]=4 134 B4R0.1 C#C[C@H](C)N F31055 [2,0,0,0,0,0|1,0,1]=4 135 B4R0.1 C=C[C@H](C)N 81150 [2,0,0,0,0,0|1,0,0]=3 136 B4R0.1 C=C[C@H](C)N C77628 [2,0,0,0,0,0|1,0,0]=3 137 B4R0.1 C=C[C@H](C)N N11410 [2,0,0,0,0,0|1,0,0]=3 138 B4R0.1 CC[C@H](C)N 74047 [2,0,0,0,0,0|1,0,1]=4 139 B4R0.1 C[C@H](Br)CO W17591 [2,0,0,0,0,0|1,0,1]=4 140 B4R0.1 C[C@H](N)C#N I11084 [2,0,0,0,0,0|1,0,1]=4 141 B4R0.1 C[C@H](N)CF AC1136 [2,0,0,0,0,0|1,0,1]=4 142 B4R0.1 C[C@H](N)CF AC6177 [2,0,0,0,0,0|1,0,1]=4 143 B4R0.1 NCC(=O)O A10882 [2,0,0,0,0,0|0,0,0]=2 144 B4R0.1 NCC(=O)O T72551 [2,0,0,0,0,0|0,0,0]=2 145 B4R0.1 NNC(N)=O D77852 [2,0,0,0,0,0|2,0,0]=4 146 B4R0.1 O=C([O-])C[O-] 47204 [2,0,0,0,0,0|0,1,1]=4 147 B4R0.2 NCCCS A11074 [2,0,0,0,0,0|1,0,1]=4 148 B4R0.2 OCCCO D77845 [2,0,0,0,0,0|0,1,1]=4 149 B4R0.2 OCCCS D78398 [2,0,0,0,0,0|0,0,1]=3 150 B4R0.2 SCCCBr 77989 [2,0,0,0,0,0|1,0,1]=4 151 B6R0.1 CCNC(=O)CO 79517 [1,1,0,0,0,0|2,0,0]=4 152 B6R0.1 CNC(=O)CCN C75423 [1,1,0,0,0,0|2,0,0]=4 153 B6R0.1 CNC(=O)CCO AC6610 [1,1,0,0,0,0|1,1,0]=4 154 B6R0.1 CNC(=O)CCS A11187 [1,1,0,0,0,0|1,0,0]=3 155 B6R0.1 COC(=O)OCCl R10013 [1,1,0,0,0,0|2,0,0]=4 156 B6R0.1 NNC(=O)CCO C77491 [1,1,0,0,0,0|1,1,0]=4 157 B6R0.2 CC(C)CC(N)=O C75541 [1,1,0,0,0,0|2,0,0]=4 158 B6R0.2 C[C@H](O)CC(=O)O C10552 [1,1,0,0,0,0|0,1,0]=3 159 B6R0.2 NC(=O)CC(=O)O F20599 [1,1,0,0,0,0|0,1,1]=4 160 B6R0.4 C=CCCC(=O)Cl F16765 [1,1,0,0,0,0|2,0,0]=4 161 B6R0.4 CC(=O)CCC=O P17049 [1,1,0,0,0,0|1,1,0]=4 162 B6R0.4 CC(=O)CCCBr 25631 [1,1,0,0,0,0|2,0,0]=4 163 B6R0.4 CC(=O)OCCN W11955 [1,1,0,0,0,0|2,0,0]=4 164 B6R0.4 CCOCC(=O)O D73862 [1,1,0,0,0,0|1,0,0]=3 165 B6R0.4 NC(=O)OCCO A11395 [1,1,0,0,0,0|1,1,0]=4 166 B6R0.4 NCCCC(N)=O C72206 [1,1,0,0,0,0|2,0,0]=4 167 B6R0.4 O=C(O)\C=C\CCl 11303 [1,1,0,0,0,0|1,0,1]=4 168 B6R0.4 O=C([O-])CNCO F20522 [1,1,0,0,0,0|0,1,1]=4 169 B6R0.5 CCCP(=O)(O)O C15829 [1,1,0,0,0,0|2,0,0]=4 170 B6R0.5 O=P(O)(O)CCBr S12083 [1,1,0,0,0,0|2,0,0]=4 171 B6R0.5 O=P(O)(O)CCO D97366 [1,1,0,0,0,0|1,1,0]=4 172 B6R0.5 O=S(=O)(O)CCBr 28570 [1,1,0,0,0,0|2,0,0]=4 173 B6R0.8 CC(C)(C=O)CCl C90225 [1,1,0,0,0,0|2,0,0]=4 174 B6R0.9 CC[C@@H](CN)CO Y13480 [1,1,0,0,0,0|1,0,1]=4 175 B6R0.7 CC(=O)C(C)(C)N 71804 [1,1,0,0,0,0|1,0,0]=3 176 B6R0.7 CC(C)(C)C(=O)[O-] C71251 [1,1,0,0,0,0|1,0,1]=4 177 B6R0.7 CC(C)(Cl)C(=O)Cl S11011 [1,1,0,0,0,0|2,0,0]=4 178 B6R0.7 CC(C)(S)C(=O)O F17054 [1,1,0,0,0,0|1,0,0]=3 179 B6R0.7 C[C@H](N)C(C)(C)O 86272 [1,1,0,0,0,0|1,0,1]=4 180 B6R0.7 O=C(O)C(F)(F)F P14585 [1,1,0,0,0,0|2,0,0]=4 181 B6R0.7 O=C(O)C(F)(F)F P15049 [1,1,0,0,0,0|2,0,0]=4 182 B6R0.7 O=C(O)C(F)(F)F P17642 [1,1,0,0,0,0|2,0,0]=4 183 B6R0.7 O=C(O)C(F)(F)F P17643 [1,1,0,0,0,0|2,0,0]=4 184 B6R0.7 O=C(O)C(F)(F)F P18398 [1,1,0,0,0,0|2,0,0]=4 185 B6R0.7 O=C(O)C(F)(F)F P19732 [1,1,0,0,0,0|2,0,0]=4 186 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O FD21836 [0,1,0,0,0,1|2,0,0]=4 187 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O C90303 [0,1,0,0,0,1|2,0,0]=4 188 B8R0.5 C=CC[C@H](N)CC(=O)O F15070 [0,1,0,0,0,1|1,0,0]=3 189 B8R0.5 CCC[C@H](N)CC(=O)O C76010 [0,1,0,0,0,1|1,0,0]=3 190 B8R0.19 CC[C@H](N)CC(=O)OC N12944 [0,1,0,0,0,1|1,0,0]=3 191 B8R0.19 CC[C@H](O)CC(=O)OC C15791 [0,1,0,0,0,1|2,0,0]=4 192 B8R0.19 COC(=O)C[C@H](O)CCl A11858 [0,1,0,0,0,1|2,0,0]=4 193 B8R0.19 COC(=O)N[C@@H](C)CN D95526 [0,1,0,0,0,1|2,0,0]=4 194 B8R0.23 CC(C)[C@@H](N)CC(=O)O 29560 [0,1,0,0,0,1|1,0,0]=3 195 B8R0.23 CC(C)[C@@H](N)CC(=O)O 62353 [0,1,0,0,0,1|1,0,0]=3 196 B8R0.23 NC(=O)[C@@H](N)CC(=O)O FD21181 [0,1,0,0,0,1|0,1,1]=4 197 B8R0.34 CC(C)(CN)CC(=O)O C11406 [0,1,0,0,0,1|2,0,0]=4 198 B8R0.3 C=CC[C@H](N)C(=O)OC 50494 [0,2,0,0,0,0|1,0,0]=3 199 B8R0.3 C=CC[C@H](N)C(=O)OC 78270 [0,2,0,0,0,0|1,0,0]=3 200 B8R0.3 CCOC(=O)[C@@H](O)CC T72564 [0,2,0,0,0,0|2,0,0]=4 201 B8R0.3 COC(=O)[C@@H](N)CCBr 52036 [0,2,0,0,0,0|1,0,0]=3 202 B8R0.3 COC[C@H](N)C(=O)OC C73433 [0,2,0,0,0,0|0,1,0]=3 203 B8R0.8 C=CCC[C@H](N)C(=O)O F12088 [0,2,0,0,0,0|1,0,0]=3 204 B8R0.8 C=CCC[C@H](N)C(=O)O F15989 [0,2,0,0,0,0|1,0,0]=3 205 B8R0.8 CCCC[C@H](N)C(N)=O C77276 [0,2,0,0,0,0|2,0,0]=4 206 B8R0.8 CCCC[C@H](O)C(=O)O C11377 [0,2,0,0,0,0|2,0,0]=4 207 B8R0.8 C[Se]CC[C@H](N)C(=O)O F20529 [0,2,0,0,0,0|0,1,0]=3 208 B8R0.12 C#CCC(C)(C)C(=O)O D95067 [0,2,0,0,0,0|2,0,0]=4 209 B8R0.12 C=CC[C@](C)(N)C(=O)O F12113 [0,2,0,0,0,0|1,0,0]=3 210 B8R0.12 CC(C)(CC#N)C(=O)O D84383 [0,2,0,0,0,0|2,0,0]=4 211 B8R0.15 CCC[C@@H](CO)C(=O)O 62408 [0,2,0,0,0,0|1,1,0]=4 212 B8R0.15 CCC[C@H](CC)C(=O)O F19344 [0,2,0,0,0,0|2,0,0]=4 213 B8R0.13 COC(=O)[C@@](C)(N)CO D77168 [0,2,0,0,0,0|0,1,0]=3 214 B8R0.20 CC[C@@H](CO)C(=O)OC AB9727 [0,2,0,0,0,0|1,1,0]=4 215 B8R0.20 CC[C@H](C#N)C(=O)OC Y14710 [0,2,0,0,0,0|1,0,1]=4 216 B8R0.20 COC(=O)C(CN)CN N13257 [0,2,0,0,0,0|1,0,0]=3 217 B8R0.36 CCC(N)(CC)C(=O)O 20649 [0,2,0,0,0,0|1,0,0]=3 218 B8R0.36 CCC(N)(CC)C(N)=O A10077 [0,2,0,0,0,0|2,0,0]=4 219 B8R0.37 CC(C)[C@](C)(N)C(=O)O O10056 [0,2,0,0,0,0|1,0,0]=3 220 B8R0.27 CC(C)(C)[C@H](N)C(=O)O C14699 [0,2,0,0,0,0|1,0,0]=3 221 B8R0.27 CC(C)(C)[C@H](O)C(=O)O 62402 [0,2,0,0,0,0|2,0,0]=4 222 B8R0.27 CC(C)(O)[C@H](N)C(=O)O 31225 [0,2,0,0,0,0|0,1,0]=3 223 B8R0.27 CC(C)(O)[C@H](N)C(=O)O 31227 [0,2,0,0,0,0|0,1,0]=3 224 B8R0.27 CC(C)(O)[C@H](N)C(=O)O 56185 [0,2,0,0,0,0|0,1,0]=3 225 B8R0.27 CC(C)(O)[C@H](N)C(=O)O 77791 [0,2,0,0,0,0|0,1,0]=3 226 B8R0.27 CC(C)(S)[C@H](N)C(=O)O I10039 [0,2,0,0,0,0|0,0,0]=2 227 B8R0.27 C[C@H](C(=O)O)C(F)(F)F I10973 [0,2,0,0,0,0|2,0,0]=4 228 B8R0.18 CC(C)[C@H](CN)C(=O)O 32008 [0,2,0,0,0,0|1,0,0]=3 229 B8R0.18 CC(C)[C@H](CN)C(=O)O 32570 [0,2,0,0,0,0|1,0,0]=3 230 B8R0.18 CC(C)[C@H](CN)C(=O)O 32574 [0,2,0,0,0,0|1,0,0]=3 231 B8R0.18 CC(C)[C@H](CN)C(=O)O F15099 [0,2,0,0,0,0|1,0,0]=3 232 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O C15482 [0,2,0,0,0,0|0,1,0]=3 233 B6R1.2 O[C@H]1CCSC1 50208 [1,0,0,1,0,0|1,0,1]=4 234 B6R1.5 CC1CC(=O)C1 P12177 [1,0,0,1,0,0|2,0,0]=4 235 B6R1.5 C[C@H]1CC(=O)O1 AT19323 [1,0,0,1,0,0|1,0,0]=3 236 B6R1.5 O=C1CC(O)C1 P12929 [1,0,0,1,0,0|1,1,0]=4 237 B6R1.11 O=C([O-])[C@@H]1CO1 50549 [1,0,0,1,0,0|0,1,1]=4 238 B6R1.11 O=C([O-])[C@@H]1CO1 50593 [1,0,0,1,0,0|0,1,1]=4 239 B6R1.4 C[C@H]1CCC1=O W18267 [1,0,0,1,0,0|2,0,0]=4 240 B6R1.4 C[C@H]1CNC1=O P20594 [1,0,0,1,0,0|2,0,0]=4 241 B6R1.4 NC1CCC1O 94999 [1,0,0,1,0,0|1,0,1]=4 242 B6R1.4 N[C@@H]1CC[C@@H]1O P18786 [1,0,0,1,0,0|1,0,1]=4 243 B6R1.4 O=C1CC[C@@H]1Br P18435 [1,0,0,1,0,0|2,0,0]=4 244 B6R1.6 O=CC1COC1 84841 [1,0,0,1,0,0|1,1,0]=4 245 B6R1.6 OC[C@H]1CCN1 36269 [1,0,0,1,0,0|1,0,1]=4 246 B6R1.6 OC[C@H]1CCN1 38353 [1,0,0,1,0,0|1,0,1]=4 247 B6R1.6 OC[C@H]1CCN1 38354 [1,0,0,1,0,0|1,0,1]=4 248 B6R1.7 NC1(CO)CC1 32781 [1,0,0,1,0,0|1,0,1]=4 249 B8R1.1 O=C1N[C@@H](CI)CO1 C72732 [0,0,0,1,0,1|2,0,0]=4 250 B8R1.1 O=C1N[C@@H](CO)CO1 AC1845 [0,0,0,1,0,1|1,1,0]=4 251 B8R1.1 O=C1N[C@@H](CO)CO1 F50277 [0,0,0,1,0,1|1,1,0]=4 252 B8R1.1 O=C1N[C@@H](CO)CO1 F50345 [0,0,0,1,0,1|1,1,0]=4 253 B8R1.4 C[C@H]1CCOC(=O)O1 W17381 [0,0,0,1,0,1|2,0,0]=4 254 B8R1.4 N[C@H]1CCCC(=O)C1 20374 [0,0,0,1,0,1|2,0,0]=4 255 B8R1.4 N[C@H]1CCNC(=O)C1 27397 [0,0,0,1,0,1|2,0,0]=4 256 B8R1.18 N[C@H]1CC(=O)OC1=O 51906 [0,0,0,1,0,1|0,1,1]=4 257 B8R1.18 N[C@H]1CC(=O)OC1=O 51907 [0,0,0,1,0,1|0,1,1]=4 258 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O P15238 [0,0,0,1,0,1|2,0,0]=4 259 B8R1.31 N[C@H]1CC[C@H]1C(=O)O P15463 [0,0,0,1,0,1|1,0,0]=3 260 B8R1.34 O=C(O)CC1CNC1 37024 [0,0,0,1,0,1|2,0,0]=4 261 B8R1.34 O=C(O)CC1COC1 66388 [0,0,0,1,0,1|1,1,0]=4 262 B8R1.43 O=C(O)C1CC1CCl D85971 [0,0,0,1,0,1|2,0,0]=4 263 B8R1.43 O=C(O)[C@H]1C[C@@H]1CCl P19534 [0,0,0,1,0,1|2,0,0]=4 264 B8R1.5 C[C@H]1CCCOC1=O AB4082 [0,1,0,1,0,0|2,0,0]=4 265 B8R1.5 C[C@H]1CSCCC1=O 70869 [0,1,0,1,0,0|2,0,0]=4 266 B8R1.5 N[C@H]1CCCCC1=O C16242 [0,1,0,1,0,0|2,0,0]=4 267 B8R1.5 N[C@H]1CCCNC1=O 11355 [0,1,0,1,0,0|2,0,0]=4 268 B8R1.5 N[C@H]1CCCNC1=O 51546 [0,1,0,1,0,0|2,0,0]=4 269 B8R1.5 O=C1OCCC[C@@H]1O 27422 [0,1,0,1,0,0|2,0,0]=4 270 B8R1.7 CC(=O)[C@H]1NCCS1 C73779 [0,1,0,1,0,0|2,0,0]=4 271 B8R1.7 NC(=O)[C@H]1CCNC1 31795 [0,1,0,1,0,0|2,0,0]=4 272 B8R1.7 NC(=O)[C@H]1CCNC1 37190 [0,1,0,1,0,0|2,0,0]=4 273 B8R1.7 O=C(O)[C@@H]1CCCN1 D77952 [0,1,0,1,0,0|1,0,0]=3 274 B8R1.7 O=C(O)[C@@H]1COCN1 A11387 [0,1,0,1,0,0|0,1,0]=3 275 B8R1.7 O=C(O)[C@@H]1COCN1 C73113 [0,1,0,1,0,0|0,1,0]=3 276 B8R1.7 O=C(O)[C@H]1CCNC1 65432 [0,1,0,1,0,0|1,0,0]=3 277 B8R1.7 O=C(O)[C@H]1CCNC1 P10866 [0,1,0,1,0,0|1,0,0]=3 278 B8R1.7 O=C(O)[C@H]1CCOC1 59930 [0,1,0,1,0,0|1,1,0]=4 279 B8R1.7 O=C(O)[C@H]1CCOC1 66517 [0,1,0,1,0,0|1,1,0]=4 280 B8R1.23 NC1CC(C(=O)O)C1 38020 [0,1,0,1,0,0|2,0,0]=4 281 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 26939 [0,1,0,1,0,0|2,0,0]=4 282 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 36354 [0,1,0,1,0,0|2,0,0]=4 283 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 37102 [0,1,0,1,0,0|2,0,0]=4 284 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 P10391 [0,1,0,1,0,0|2,0,0]=4 285 B8R1.23 O=C(O)C1CC(Br)C1 D79265 [0,1,0,1,0,0|2,0,0]=4 286 B8R1.23 O=C(O)C1CC(F)C1 37218 [0,1,0,1,0,0|2,0,0]=4 287 B8R1.23 O=C(O)[C@H]1C[C@H](Br)C1 D79072 [0,1,0,1,0,0|2,0,0]=4 288 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 P15601 [0,1,0,1,0,0|2,0,0]=4 289 B8R1.23 O=C1C[C@@H](C(=O)O)N1 P10146 [0,1,0,1,0,0|0,1,0]=3 290 B8R1.23 O=C1C[C@@H](C(=O)O)N1 P11831 [0,1,0,1,0,0|0,1,0]=3 291 B8R1.54 N[C@H](C(=O)O)C1CC1 59339 [0,1,0,1,0,0|1,0,0]=3 292 B8R1.78 C[C@@]1(C(=O)O)CCO1 P18488 [0,1,0,1,0,0|1,1,0]=4 293 B8R1.78 NC(=O)C1(N)COC1 P19028 [0,1,0,1,0,0|1,1,0]=4 294 B8R1.78 NC1(C(=O)O)CNC1 38052 [0,1,0,1,0,0|1,0,0]=3 295 B8R1.78 NC1(C(=O)O)CSC1 P11488 [0,1,0,1,0,0|0,0,0]=2 296 B8R1.78 O=C(O)C1(O)CCC1 F50565 [0,1,0,1,0,0|2,0,0]=4 297 B8R1.78 O=C(O)C1(O)CNC1 P12583 [0,1,0,1,0,0|2,0,0]=4 298 B8R1.11 NC[C@H]1CCCC1=O 33703 [0,1,0,1,0,0|2,0,0]=4 299 B8R1.38 COC(=O)C1COC1 81275 [0,1,0,1,0,0|1,1,0]=4 300 B8R1.38 COC(=O)[C@@H]1CCN1 38788 [0,1,0,1,0,0|1,0,0]=3 301 B8R1.50 CN1CC[C@H](N)C1=O 51274 [0,1,0,1,0,0|2,0,0]=4 302 B8R1.63 C#CC1(C(=O)O)CC1 93656 [0,1,0,1,0,0|2,0,0]=4 303 B8R1.63 CCC1(C(=O)O)CC1 P15303 [0,1,0,1,0,0|2,0,0]=4 304 B8R1.63 COC1(C(=O)O)CC1 92150 [0,1,0,1,0,0|2,0,0]=4 305 B8R1.63 O=C(O)C1(CBr)CC1 F30357 [0,1,0,1,0,0|2,0,0]=4 306 B8R1.63 O=C(O)C1(CO)CC1 F53113 [0,1,0,1,0,0|1,1,0]=4 307 B8R1.77 O=C(O)C1CC1(F)Cl CS1218 [0,1,0,1,0,0|2,0,0]=4 308 B8R1.77 O=C(O)[C@H]1CC1(F)F P15788 [0,1,0,1,0,0|2,0,0]=4 309 B8R1.77 O=C(O)[C@H]1CC1(F)F P17160 [0,1,0,1,0,0|2,0,0]=4 310 B8R0.9 NC[C@@H](N)CCC(=O)O AT25325 [0,0,0,0,0,2|1,0,0]=3