0 B7R1.3 BrC1CCCOC1 X9769 [0,0,0,0,0,0|2,0,1]=3 1 B7R1.3 BrC1CCOCC1 W4892 [0,0,0,0,0,0|2,0,1]=3 2 B7R1.3 CC1=CCCNC1 V9748 [0,0,0,0,0,0|2,0,1]=3 3 B7R1.3 CC1COCCN1 W6211 [0,0,0,0,0,0|3,0,1]=4 4 B7R1.3 CN1CCNCC1 4120AB [0,0,0,0,0,0|3,0,0]=3 5 B7R1.3 C[C@@H]1CNCCO1 8974AH [0,0,0,0,0,0|3,0,1]=4 6 B7R1.3 C[C@@H]1CNCCO1 W3662 [0,0,0,0,0,0|3,0,1]=4 7 B7R1.3 C[C@@H]1COCCN1 X4857 [0,0,0,0,0,0|3,0,1]=4 8 B7R1.3 C[C@H]1CNCCO1 W8218 [0,0,0,0,0,0|3,0,1]=4 9 B7R1.3 C[C@H]1COCCN1 X4748 [0,0,0,0,0,0|3,0,1]=4 10 B7R1.3 ClC1CCNCC1 7684AB [0,0,0,0,0,0|2,0,1]=3 11 B7R1.3 ClC1CCNCC1 Q214 [0,0,0,0,0,0|2,0,1]=3 12 B7R1.3 NC1CCCNC1 5237AE [0,0,0,0,0,0|2,0,1]=3 13 B7R1.3 NC1CCCOC1 X9447 [0,0,0,0,0,0|2,0,1]=3 14 B7R1.3 NC1CCSCC1 W4711 [0,0,0,0,0,0|2,0,1]=3 15 B7R1.3 NN1CCCCC1 O184 [0,0,0,0,0,0|2,0,0]=2 16 B7R1.3 N[C@@H]1CCCOC1 5857AA [0,0,0,0,0,0|2,0,1]=3 17 B7R1.3 O=C1CCCNC1 7001AB [0,0,0,0,0,0|1,0,0]=1 18 B7R1.3 O=C1CCCSC1 Z4344 [0,0,0,0,0,0|1,0,0]=1 19 B7R1.3 O=C1CCNCC1 5781AB [0,0,0,0,0,0|1,0,0]=1 20 B7R1.3 O=C1COCCO1 3182AB [0,0,0,0,0,0|2,0,0]=2 21 B7R1.3 OC1CCSCC1 W5218 [0,0,0,0,0,0|1,0,2]=3 22 B7R1.3 O[C@@H]1CCCNC1 9408AB [0,0,0,0,0,0|1,0,2]=3 23 B6R1.1 C1=CCNCC1 V3961 [1,0,0,0,0,0|1,0,1]=3 24 B6R1.1 C1=CCOCC1 X4947 [1,0,0,0,0,0|1,0,1]=3 25 B6R1.1 C1CNCCN1 8845AL [1,0,0,0,0,0|2,0,0]=3 26 B6R1.1 C1CNCCN1 8846AL [1,0,0,0,0,0|2,0,0]=3 27 B6R1.1 C1CNCCN1 G991 [1,0,0,0,0,0|2,0,0]=3 28 B6R1.1 C1CSCCO1 7266AF [1,0,0,0,0,0|2,0,0]=3 29 B8R1.2 BrCC1CCNCC1 Z2771 [0,1,0,0,0,0|2,0,1]=4 30 B8R1.2 C#CC1CCCCN1 Y6045 [0,1,0,0,0,0|2,0,1]=4 31 B8R1.2 C#CC1CCCNC1 Y6534 [0,1,0,0,0,0|2,0,1]=4 32 B8R1.2 CCC1CCCCC1 8567AA [0,1,0,0,0,0|1,0,1]=3 33 B8R1.2 CCC1CCNCC1 0192AE [0,1,0,0,0,0|2,0,1]=4 34 B8R1.2 CNC1CCOCC1 5124AB [0,1,0,0,0,0|2,0,1]=4 35 B8R1.2 CNC1CCOCC1 W4553 [0,1,0,0,0,0|2,0,1]=4 36 B8R1.2 COC1CCNCC1 V5785 [0,1,0,0,0,0|1,0,2]=4 37 B8R1.2 FCC1CCCNC1 2978AD [0,1,0,0,0,0|2,0,1]=4 38 B8R1.2 ICC1CCCCC1 4784AJ [0,1,0,0,0,0|1,0,1]=3 39 B8R1.2 ICC1CCOCC1 Y6802 [0,1,0,0,0,0|2,0,1]=4 40 B8R1.2 N#CC1=CCCCO1 6287AJ [0,1,0,0,0,0|2,0,1]=4 41 B8R1.2 N#CC1CCCNC1 W8644 [0,1,0,0,0,0|2,0,1]=4 42 B8R1.2 NCC1CCCCO1 V7179 [0,1,0,0,0,0|2,0,1]=4 43 B8R1.2 NCC1CCCNC1 U802 [0,1,0,0,0,0|2,0,1]=4 44 B8R1.2 NNC1CCCCC1 3658AF [0,1,0,0,0,0|1,0,1]=3 45 B8R1.2 NNC1CCOCC1 0074AB [0,1,0,0,0,0|2,0,1]=4 46 B8R1.2 NNC1CCOCC1 X9318 [0,1,0,0,0,0|2,0,1]=4 47 B8R1.2 NNC1CCOCC1 Z3438 [0,1,0,0,0,0|2,0,1]=4 48 B8R1.2 O=CC1=CCCOC1 Z4103 [0,1,0,0,0,0|1,0,1]=3 49 B8R1.2 O=CC1CCCOC1 2092AC [0,1,0,0,0,0|1,0,1]=3 50 B8R1.2 O=CC1CCOCC1 X4660 [0,1,0,0,0,0|1,0,1]=3 51 B8R1.2 OCC1CCNCC1 5626AH [0,1,0,0,0,0|1,0,2]=4 52 B8R1.2 OCC1CCSCC1 Y6767 [0,1,0,0,0,0|1,0,2]=4 53 B8R1.2 ON=C1CCOCC1 6645AE [0,1,0,0,0,0|1,0,1]=3 54 B8R1.2 ON=C1CCSCC1 7052AE [0,1,0,0,0,0|1,0,1]=3 55 B8R1.2 ONC1CCCCC1 1210AB [0,1,0,0,0,0|0,0,2]=3 56 B8R1.2 [C-]#[N+]C1CCCCC1 M219 [0,1,0,0,0,0|1,0,1]=3 57 B8R1.3 CN1CCC(N)CC1 0709AD [0,1,0,0,0,0|2,0,0]=3 58 B8R1.3 CN1CCN(C)CC1 7550AF [0,1,0,0,0,0|3,0,0]=4 59 B8R1.3 C[C@H]1CC[C@@H](N)CC1 3944AJ [0,1,0,0,0,0|1,0,1]=3 60 B8R1.3 Cl[C@H]1CC[C@H](Cl)CC1 9194AL [0,1,0,0,0,0|1,0,1]=3 61 B8R1.3 NC1CCC(O)CC1 5488AB [0,1,0,0,0,0|0,0,2]=3 62 B8R1.3 N[C@H]1CC[C@@H](N)CC1 0819AB [0,1,0,0,0,0|1,0,1]=3 63 B8R1.3 O=C1CCC(O)CN1 W4138 [0,1,0,0,0,0|1,0,0]=2 64 B8R1.3 O[C@H]1CC[C@@H](O)CC1 U023 [0,1,0,0,0,0|0,0,2]=3 65 B8R1.3 O[C@H]1CC[C@H](O)CC1 U202 [0,1,0,0,0,0|0,0,2]=3 66 B8R1.4 CC1CC(=O)CCN1 6568AA [0,1,0,0,0,0|1,0,0]=2 67 B8R1.4 CC1CC(=O)CCO1 3309AA [0,1,0,0,0,0|1,0,0]=2 68 B8R1.4 CC1CC(O)CCO1 1817AJ [0,1,0,0,0,0|1,0,2]=4 69 B8R1.4 CC1CCCC(C)C1 4569AL [0,1,0,0,0,0|1,0,1]=3 70 B8R1.4 CC1CCNC(=N)C1 1356AH [0,1,0,0,0,0|2,0,0]=3 71 B8R1.4 CN1CCCC(N)C1 W9236 [0,1,0,0,0,0|2,0,0]=3 72 B8R1.4 CN1CCC[C@@H](N)C1 8666AH [0,1,0,0,0,0|2,0,0]=3 73 B8R1.4 CN1CCC[C@@H](N)C1 8990AH [0,1,0,0,0,0|2,0,0]=3 74 B8R1.4 CN1CCOC(=O)C1 9637AA [0,1,0,0,0,0|2,0,0]=3 75 B8R1.4 C[C@@H]1CN(C)CCN1 8938AH [0,1,0,0,0,0|3,0,0]=4 76 B8R1.4 C[C@H]1CCC[C@@H](C)N1 9437AE [0,1,0,0,0,0|2,0,1]=4 77 B8R1.4 NC1CCCC(N)C1 V5282 [0,1,0,0,0,0|1,0,1]=3 78 B8R1.4 NC1CCCC(O)C1 2142AJ [0,1,0,0,0,0|0,0,2]=3 79 B8R1.4 NC1CCCC(O)C1 W7861 [0,1,0,0,0,0|0,0,2]=3 80 B8R1.4 O=C1CC(O)CCN1 V1296 [0,1,0,0,0,0|1,0,0]=2 81 B8R1.4 O=C1CNCC(=O)N1 W6436 [0,1,0,0,0,0|2,0,1]=4 82 B8R1.4 O=C1COCC(=O)C1 9192AB [0,1,0,0,0,0|1,0,1]=3 83 B8R1.4 O=C1C[C@@H](O)CCN1 W6428 [0,1,0,0,0,0|1,0,0]=2 84 B8R1.5 BrC1CCCCC1Br Y5040 [0,1,0,0,0,0|1,0,1]=3 85 B8R1.5 Br[C@H]1CCCC[C@@H]1Br 9187AL [0,1,0,0,0,0|1,0,1]=3 86 B8R1.5 CC1CCCNC1=O Y8918 [0,1,0,0,0,0|1,0,0]=2 87 B8R1.5 CC1CNCCC1=O W6393 [0,1,0,0,0,0|1,0,0]=2 88 B8R1.5 CC1CNCCN1C 9602AH [0,1,0,0,0,0|3,0,0]=4 89 B8R1.5 CC1COCCC1O 2365AJ [0,1,0,0,0,0|1,0,2]=4 90 B8R1.5 CC1SCCNC1=O 8229AE [0,1,0,0,0,0|2,0,0]=3 91 B8R1.5 CN1CCCNC1=O 7411AC [0,1,0,0,0,0|2,0,0]=3 92 B8R1.5 CN1CCNCC1=O 1842AA [0,1,0,0,0,0|2,0,0]=3 93 B8R1.5 CN1CCNCC1=O 6558AD [0,1,0,0,0,0|2,0,0]=3 94 B8R1.5 CN1CCNCC1=O X7943 [0,1,0,0,0,0|2,0,0]=3 95 B8R1.5 C[C@@H]1NCCNC1=O 2295AC [0,1,0,0,0,0|2,0,0]=3 96 B8R1.5 C[C@H]1CNCCN1C 6630AB [0,1,0,0,0,0|3,0,0]=4 97 B8R1.5 C[C@H]1CNCCN1C 9092AH [0,1,0,0,0,0|3,0,0]=4 98 B8R1.5 C[C@H]1NCCNC1=O 5574AC [0,1,0,0,0,0|2,0,0]=3 99 B8R1.5 Cl[C@H]1CCCC[C@@H]1Cl 9188AL [0,1,0,0,0,0|1,0,1]=3 100 B8R1.5 N[C@@H]1CCCC[C@@H]1O W4237 [0,1,0,0,0,0|0,0,2]=3 101 B8R1.5 N[C@@H]1CCCNC1=O 4809AJ [0,1,0,0,0,0|1,0,0]=2 102 B8R1.5 N[C@H]1CCCC[C@@H]1N E396 [0,1,0,0,0,0|1,0,1]=3 103 B8R1.5 N[C@H]1CCCC[C@@H]1O B566 [0,1,0,0,0,0|0,0,2]=3 104 B8R1.5 N[C@H]1CCCC[C@H]1O 0705AC [0,1,0,0,0,0|0,0,2]=3 105 B8R1.5 N[C@H]1CCCC[C@H]1O X3115 [0,1,0,0,0,0|0,0,2]=3 106 B8R1.5 N[C@H]1CCCNC1=O 5871AB [0,1,0,0,0,0|1,0,0]=2 107 B8R1.5 O=C1NCCCC1O W4139 [0,1,0,0,0,0|1,0,0]=2 108 B8R1.5 OC1CCCCC1Cl 7832AA [0,1,0,0,0,0|0,0,2]=3 109 B8R1.72 CC1(C)CCCNC1 Y8537 [0,1,0,0,0,0|2,0,1]=4 110 B8R1.72 CC1(C)CCNCC1 Z4691 [0,1,0,0,0,0|2,0,1]=4 111 B8R1.72 CC1(Cl)CCCCC1 3529AF [0,1,0,0,0,0|1,0,1]=3 112 B8R1.72 CC1(N)CCCCC1 9931AH [0,1,0,0,0,0|1,0,1]=3 113 B8R1.72 CC1(N)CCOCC1 0694AC [0,1,0,0,0,0|2,0,1]=4 114 B8R1.72 CC1(N)CCOCC1 W8790 [0,1,0,0,0,0|2,0,1]=4 115 B8R1.72 CC1(O)CCCNC1 4087AE [0,1,0,0,0,0|1,0,2]=4 116 B8R1.72 CC1(O)CCNCC1 5226AB [0,1,0,0,0,0|1,0,2]=4 117 B8R1.72 CC1(O)CCOCC1 W8268 [0,1,0,0,0,0|1,0,2]=4 118 B8R1.72 FC1(F)CCCNC1 4607AB [0,1,0,0,0,0|2,0,1]=4 119 B8R1.72 FC1(F)CCCNC1 W6523 [0,1,0,0,0,0|2,0,1]=4 120 B8R1.72 O=S1(=O)CCCCN1 V5571 [0,1,0,0,0,0|2,0,0]=3 121 B8R1.72 O=S1(=O)CCOCC1 1581AA [0,1,0,0,0,0|2,0,0]=3 122 B8R1.72 O=S1(=O)OCCCO1 Z7112 [0,1,0,0,0,0|3,0,0]=4 123 B6R0.1 C=COC(=O)CC 7389AF [0,0,1,0,0,0|1,0,2]=4 124 B6R0.1 CCC(=O)CC#N 0486AE [0,0,1,0,0,0|1,0,1]=3 125 B6R0.1 CCC(O)COC 4893AL [0,0,1,0,0,0|1,0,2]=4 126 B6R0.1 CCCC(C)CCl 4812AL [0,0,1,0,0,0|2,0,1]=4 127 B6R0.1 CCC\C(N)=N\O 8990AD [0,0,1,0,0,0|3,0,0]=4 128 B6R0.1 CCNC(=O)CC 8553AL [0,0,1,0,0,0|1,0,0]=2 129 B6R0.1 CCOC(=O)CI 7240AF [0,0,1,0,0,0|2,0,0]=3 130 B6R0.1 CCOC(=O)NO 6247AE [0,0,1,0,0,0|3,0,0]=4 131 B6R0.1 CCOC(=O)OC 7884AL [0,0,1,0,0,0|2,0,0]=3 132 B6R0.1 CNC(=O)CCN 4757AE [0,0,1,0,0,0|2,0,0]=3 133 B6R0.1 COC(=O)OCCl 0229AP [0,0,1,0,0,0|3,0,0]=4 134 B6R0.1 C\C=C\C(=O)CC 2730AL [0,0,1,0,0,0|0,0,2]=3 135 B6R0.4 CC(Br)CCCBr 9465AB [0,0,1,0,0,0|2,0,1]=4 136 B6R0.4 CC(O)CCCO 1536AL [0,0,1,0,0,0|1,0,2]=4 137 B6R0.4 CCC#CC(C)=O 6057AL [0,0,1,0,0,0|0,0,2]=3 138 B6R0.4 CCCCC(=N)N 1867AA [0,0,1,0,0,0|2,0,0]=3 139 B6R0.4 CCCCC(=N)N 9567AA [0,0,1,0,0,0|2,0,0]=3 140 B6R0.4 CCCNC(N)=O P685 [0,0,1,0,0,0|2,0,0]=3 141 B6R0.4 CCCOC(N)=O 9471AB [0,0,1,0,0,0|2,0,0]=3 142 B6R0.4 CCCSC(C)=O R568 [0,0,1,0,0,0|1,0,0]=2 143 B6R0.4 CCCSC(C)C 8111AL [0,0,1,0,0,0|2,0,1]=4 144 B6R0.4 CCNCC(=O)O X5133 [0,0,1,0,0,0|2,0,0]=3 145 B6R0.4 CN(C)CCCBr W7153 [0,0,1,0,0,0|3,0,0]=4 146 B6R0.4 CSCCC(C)=O L760 [0,0,1,0,0,0|1,0,0]=2 147 B6R0.4 N#CCCC(=O)O W3483 [0,0,1,0,0,0|2,0,1]=4 148 B6R0.4 NC(=O)CCCCl Y1653 [0,0,1,0,0,0|2,0,0]=3 149 B6R0.4 NCCCC(N)=O 5556AA [0,0,1,0,0,0|2,0,0]=3 150 B6R0.4 O=C([O-])CNCO 0872AC [0,0,1,0,0,0|3,0,0]=4 151 B6R0.4 O=[N+]([O-])CCCO V2307 [0,0,1,0,0,0|3,0,0]=4 152 B6R0.6 C#CCCCCBr 0285AC [0,0,1,0,0,0|2,0,1]=4 153 B6R0.6 C#CCCCCCl Z1919 [0,0,1,0,0,0|2,0,1]=4 154 B6R0.6 C#CCCCCI 1166AQ [0,0,1,0,0,0|2,0,1]=4 155 B6R0.6 C=CCCCCCl X6224 [0,0,1,0,0,0|2,0,0]=3 156 B6R0.6 CCCCSCC 7568AF [0,0,1,0,0,0|2,0,1]=4 157 B6R0.6 CCCNCCO 8316AA [0,0,1,0,0,0|1,0,2]=4 158 B6R0.6 CNCCCCO 5794AB [0,0,1,0,0,0|1,0,2]=4 159 B6R0.6 C\C=C/CCCO 7448AL [0,0,1,0,0,0|2,0,1]=4 160 B6R0.6 SCCCCCS 7344AF [0,0,1,0,0,0|1,1,1]=4 161 B8R2.34 C12CCC(CC1)C2 8648AL [0,0,0,1,0,0|1,0,1]=3 162 B8R2.34 C1CC2CC1CN2 Z4541 [0,0,0,1,0,0|2,0,1]=4 163 B6R1.2 BrC1CCNC1 X9668 [0,0,0,0,1,0|2,0,1]=4 164 B6R1.2 BrC1CCOC1 W4135 [0,0,0,0,1,0|2,0,1]=4 165 B6R1.2 CC1=NCCN1 5706AL [0,0,0,0,1,0|3,0,0]=4 166 B6R1.2 CC1=NCCS1 5709AL [0,0,0,0,1,0|3,0,0]=4 167 B6R1.2 CC1CCCN1 2138AL [0,0,0,0,1,0|2,0,1]=4 168 B6R1.2 C[C@@H]1CCNC1 1585AB [0,0,0,0,1,0|2,0,1]=4 169 B6R1.2 C[C@H]1CCNC1 W4034 [0,0,0,0,1,0|2,0,1]=4 170 B6R1.2 ClC1CCCC1 H294 [0,0,0,0,1,0|1,0,1]=3 171 B6R1.2 ClC1CCOC1 X2032 [0,0,0,0,1,0|2,0,1]=4 172 B6R1.2 N=C1CCCS1 V6112 [0,0,0,0,1,0|2,0,0]=3 173 B6R1.2 N[C@@H]1CCOC1 X8829 [0,0,0,0,1,0|2,0,1]=4 174 B6R1.2 O=C1CC=NN1 Z4130 [0,0,0,0,1,0|2,0,1]=4 175 B6R1.2 O=C1CCNN1 W3840 [0,0,0,0,1,0|2,0,0]=3 176 B6R1.2 O=C1CCON1 3285AA [0,0,0,0,1,0|2,0,0]=3 177 B6R1.2 O=C1CNCN1 X9977 [0,0,0,0,1,0|2,0,0]=3 178 B6R1.2 O=S1CCCC1 X4814 [0,0,0,0,1,0|1,0,0]=2 179 B6R1.2 S=C1CCCN1 7821AD [0,0,0,0,1,0|1,1,0]=3 180 B8R1.22 BrC1CCCCCC1 1727AB [0,0,0,0,0,1|1,0,1]=3 181 B8R1.22 NC1CCCCNC1 3820AJ [0,0,0,0,0,1|1,0,1]=3 182 B8R1.22 O=C1C=CCCCC1 X8995 [0,0,0,0,0,1|0,0,1]=2 183 B8R1.22 O=C1CCOCCN1 0717AP [0,0,0,0,0,1|1,0,0]=2 184 B8R1.22 O=C1CCOCCO1 4654AL [0,0,0,0,0,1|1,0,0]=2 185 B5R0.1 C=C(C)CCBr Z4377 [1,0,1,0,0,0|2,0,0]=4 186 B5R0.1 C=C(C)CCC 5700AL [1,0,1,0,0,0|1,0,0]=3 187 B5R0.1 CNCC(=O)O 9764AB [1,0,1,0,0,0|2,0,0]=4 188 B5R0.1 CNOC(C)=O 8699AL [1,0,1,0,0,0|2,0,0]=4 189 B5R0.1 COCC(C)=O U020 [1,0,1,0,0,0|1,0,0]=3 190 B5R0.1 CSCC(C)=O Y1373 [1,0,1,0,0,0|1,0,0]=3 191 B5R0.1 CSCS(C)=O E772 [1,0,1,0,0,0|2,0,0]=4 192 B5R0.1 NCCC(N)=O 6432AB [1,0,1,0,0,0|2,0,0]=4 193 B5R0.1 O=C(O)CCI 7031AF [1,0,1,0,0,0|2,0,0]=4 194 B5R0.2 C=CCCCN 2628AB [1,0,1,0,0,0|1,0,1]=4 195 B5R0.2 CC#CCCC 7448AF [1,0,1,0,0,0|0,0,2]=4 196 B5R0.2 CCCCON 7308AJ [1,0,1,0,0,0|2,0,0]=4 197 B5R0.2 CCCOC=O 8880AL [1,0,1,0,0,0|1,0,0]=3 198 B5R0.2 CCCSSC 8846AJ [1,0,1,0,0,0|2,0,0]=4 199 B5R0.2 CC\C=C/CC 7431AL [1,0,1,0,0,0|0,0,1]=3 200 B5R0.2 CC\C=C/CO 3214AL [1,0,1,0,0,0|1,0,1]=4 201 B5R0.2 CC\C=C\CC 3771AD [1,0,1,0,0,0|0,0,1]=3 202 B5R0.2 CNCCSC 7146AJ [1,0,1,0,0,0|2,0,0]=4 203 B5R0.2 NCCCCBr 4038AB [1,0,1,0,0,0|2,0,0]=4 204 B5R0.2 NCCCCBr Z4484 [1,0,1,0,0,0|2,0,0]=4 205 B5R0.2 NCCCCCl 9859AB [1,0,1,0,0,0|2,0,0]=4 206 B5R0.3 CCC(=O)NC 7273AF [1,0,1,0,0,0|1,0,0]=3 207 B5R0.3 CCC(=O)NN 6023AE [1,0,1,0,0,0|2,0,0]=4 208 B5R0.3 CCC(C)CC 6117AL [1,0,1,0,0,0|1,0,1]=4 209 B5R0.3 CCN(C)CC 7490AH [1,0,1,0,0,0|2,0,0]=4 210 B7R0.2 CC(C)NC(=O)CN 6712AE [0,1,1,0,0,0|2,0,0]=4 211 B7R0.2 CC(C)OC(=O)CN Y6052 [0,1,1,0,0,0|2,0,0]=4 212 B7R0.2 CCC(=O)CC(C)C 9385AB [0,1,1,0,0,0|0,0,0]=2 213 B7R0.2 CCC(=O)OC(C)C 7522AF [0,1,1,0,0,0|1,0,0]=3 214 B7R0.2 COC(=O)CC(C)C 8842AJ [0,1,1,0,0,0|1,0,0]=3 215 B7R0.2 COC(=O)CN(C)C X7323 [0,1,1,0,0,0|2,0,0]=4 216 B7R0.3 CCCCC(=O)CC 7786AF [0,1,1,0,0,0|0,0,0]=2 217 B7R0.3 CCCCC(=O)NN X5269 [0,1,1,0,0,0|2,0,0]=4 218 B7R0.3 CCCCC(Br)CC 6006AL [0,1,1,0,0,0|1,0,1]=4 219 B7R0.3 CCCNC(=O)CN V6930 [0,1,1,0,0,0|1,0,0]=3 220 B7R0.3 CCCOC(=O)CBr U694 [0,1,1,0,0,0|1,0,0]=3 221 B7R0.3 CCCOC(=O)CC 7524AF [0,1,1,0,0,0|0,0,0]=2 222 B7R0.3 COC(=O)CCCN 3563AL [0,1,1,0,0,0|1,0,0]=3 223 B7R0.3 NNC(=O)CCCO 2288AE [0,1,1,0,0,0|2,0,0]=4 224 B7R0.5 CC(C)C(=O)CC#N W5204 [0,1,1,0,0,0|1,0,1]=4 225 B7R0.5 CCOC(=O)C(Cl)Cl 7192AF [0,1,1,0,0,0|2,0,0]=4 226 B7R0.5 CCOC(=O)C(F)Cl 2611AE [0,1,1,0,0,0|2,0,0]=4 227 B7R0.5 CCOC(=O)C(F)I 2612AE [0,1,1,0,0,0|2,0,0]=4 228 B7R0.7 CCCC(C)CCC 6609AL [0,1,1,0,0,0|1,0,1]=4 229 B7R0.7 CCCC(O)CCC 6512AL [0,1,1,0,0,0|0,0,2]=4 230 B7R0.7 CCCC(S)CCO U459 [0,1,1,0,0,0|0,1,1]=4 231 B7R0.7 CCNC(=O)CC#N 4652AD [0,1,1,0,0,0|1,0,1]=4 232 B7R0.7 CCNC(=O)CCCl 3193AE [0,1,1,0,0,0|1,0,0]=3 233 B7R0.7 CCOC(=O)OCCl Z4637 [0,1,1,0,0,0|2,0,0]=4 234 B7R0.7 COCC(=O)COC 9752AA [0,1,1,0,0,0|1,0,0]=3 235 B7R0.7 O=C(CCO)CCO 5879AB [0,1,1,0,0,0|1,0,0]=3 236 B7R0.10 CCC(C)C(=O)NN 8409AE [0,1,1,0,0,0|2,0,0]=4 237 B7R0.10 CC[C@H](O)C(=O)OC 9869AL [0,1,1,0,0,0|1,0,0]=3 238 B7R0.10 CNC(C)C(=O)OC 4207AJ [0,1,1,0,0,0|2,0,0]=4 239 B7R0.10 CN[C@@H](C)C(=O)OC V5398 [0,1,1,0,0,0|2,0,0]=4 240 B7R0.10 COC(=O)C(C)OC X3976 [0,1,1,0,0,0|2,0,0]=4 241 B7R0.10 COC(=O)[C@@H](C)CBr 4140AL [0,1,1,0,0,0|2,0,0]=4 242 B7R0.10 COC(=O)[C@@H](O)CO X8639 [0,1,1,0,0,0|2,0,0]=4 243 B7R0.10 COC(=O)[C@H](C)CBr 4182AL [0,1,1,0,0,0|2,0,0]=4 244 B7R0.10 COC(=O)[C@H](C)CO X3275 [0,1,1,0,0,0|2,0,0]=4 245 B7R0.10 COC(=O)[C@H](N)CCl 2170AA [0,1,1,0,0,0|2,0,0]=4 246 B7R0.10 COC(=O)[C@H](N)CS 8434AE [0,1,1,0,0,0|2,0,0]=4 247 B7R0.10 COC(=O)[C@H](O)CO 9042AH [0,1,1,0,0,0|2,0,0]=4 248 B7R0.10 O=C(CO)[C@@H](O)CO 8755AJ [0,1,1,0,0,0|2,0,0]=4 249 B7R0.11 CCS(=O)(=O)CCCl 8368AD [0,1,1,0,0,0|2,0,0]=4 250 B7R0.12 CCN(CCO)N=O 8548AL [0,1,1,0,0,0|2,0,0]=4 251 B7R0.4 CC(=O)CCCCCl D718 [0,1,1,0,0,0|0,0,0]=2 252 B7R0.4 CCCCSC(C)=O 3195AL [0,1,1,0,0,0|0,0,0]=2 253 B7R0.4 CCCOCC(=O)O 5344AE [0,1,1,0,0,0|1,0,0]=3 254 B7R0.4 CNCCCC(=O)O 2115AA [0,1,1,0,0,0|1,0,0]=3 255 B7R0.4 COCCCC(=O)O 2917AB [0,1,1,0,0,0|1,0,0]=3 256 B7R0.4 N#CCCCC(=O)O W5958 [0,1,1,0,0,0|1,0,1]=4 257 B7R0.4 NC(=O)CSCCO 6778AD [0,1,1,0,0,0|2,0,0]=4 258 B7R0.4 NCCCCC(=O)O 9495AB [0,1,1,0,0,0|1,0,0]=3 259 B7R0.4 O=C(O)COCCCl Y5074 [0,1,1,0,0,0|2,0,0]=4 260 B7R0.6 C=C(C)CCC(=O)O 0114AA [0,1,1,0,0,0|1,0,1]=4 261 B7R0.6 CC(=O)CNC(C)=O 2096AC [0,1,1,0,0,0|1,0,1]=4 262 B7R0.6 CC(Br)CCC(C)Br V1473 [0,1,1,0,0,0|1,0,1]=4 263 B7R0.6 CC(C)CCC(C)Br 5483AJ [0,1,1,0,0,0|1,0,1]=4 264 B7R0.6 CC(C)OCC(=O)O 0549AE [0,1,1,0,0,0|2,0,0]=4 265 B7R0.6 CC(Cl)CCC(=O)Cl 6146AJ [0,1,1,0,0,0|1,0,0]=3 266 B7R0.6 CC(O)CCC(C)O Q324 [0,1,1,0,0,0|0,0,2]=4 267 B7R0.6 C[C@@H](O)CC[C@@H](C)O 4049AL [0,1,1,0,0,0|0,0,2]=4 268 B7R0.6 C[S+](C)CCC(=O)O 4030AL [0,1,1,0,0,0|2,0,0]=4 269 B7R0.8 CCCCC(C)(C)O 7817AF [0,1,1,0,0,0|0,0,2]=4 270 B7R0.8 CCCCS(N)(=O)=O V5100 [0,1,1,0,0,0|2,0,0]=4 271 B7R0.8 CCCOS(C)(=O)=O 8882AL [0,1,1,0,0,0|2,0,0]=4 272 B7R0.8 CNCCS(C)(=O)=O V4175 [0,1,1,0,0,0|2,0,0]=4 273 B7R0.8 CS(=O)(=O)CCCO V4240 [0,1,1,0,0,0|2,0,0]=4 274 B7R0.1 C=CCSSCCC O398 [0,1,1,0,0,0|2,0,0]=4 275 B7R0.1 CCCCCCOC 8052AL [0,1,1,0,0,0|0,0,2]=4 276 B7R0.1 CCCCCOC=O 7518AF [0,1,1,0,0,0|0,0,0]=2 277 B7R0.1 CCCCSCCO 5039AL [0,1,1,0,0,0|0,0,2]=4 278 B7R0.1 CCCNCCCN 1645AB [0,1,1,0,0,0|1,0,1]=4 279 B7R0.1 CCNCCCCO 2370AE [0,1,1,0,0,0|0,0,2]=4 280 B7R0.1 CNCCCCNC 8068AA [0,1,1,0,0,0|2,0,0]=4 281 B7R0.1 COCCCN=C=O X6790 [0,1,1,0,0,0|1,0,1]=4 282 B7R1.1 CNC1CCCC1 W8261 [0,1,0,0,1,0|1,0,1]=4 283 B7R1.1 CNC1CCCC1 Z4480 [0,1,0,0,1,0|1,0,1]=4 284 B7R1.1 COC1=NCCC1 7443AB [0,1,0,0,1,0|1,0,1]=4 285 B7R1.1 N#CC1=CCCC1 3193AB [0,1,0,0,1,0|1,0,1]=4 286 B7R1.1 NCC1CCCC1 W7173 [0,1,0,0,1,0|1,0,1]=4 287 B7R1.1 NNC1CCCC1 W7612 [0,1,0,0,1,0|1,0,1]=4 288 B7R1.1 O=CC1=CCCC1 Z4945 [0,1,0,0,1,0|0,0,1]=3 289 B7R1.2 CC1CCC(=O)N1 1659AA [0,1,0,0,1,0|1,0,0]=3 290 B7R1.2 CC1COC(=O)N1 5156AD [0,1,0,0,1,0|2,0,0]=4 291 B7R1.2 CN1CCC(N)C1 9936AH [0,1,0,0,1,0|2,0,0]=4 292 B7R1.2 CN1CCC(N)C1 X9823 [0,1,0,0,1,0|2,0,0]=4 293 B7R1.2 CN1CC[C@@H](N)C1 3935AE [0,1,0,0,1,0|2,0,0]=4 294 B7R1.2 C[C@@H]1COC(=O)N1 5441AB [0,1,0,0,1,0|2,0,0]=4 295 B7R1.2 C[C@H]1COC(=O)N1 5440AB [0,1,0,0,1,0|2,0,0]=4 296 B7R1.2 NC1CCC(O)C1 X9254 [0,1,0,0,1,0|0,0,2]=4 297 B7R1.2 N[C@@H]1CC[C@H](O)C1 4920AA [0,1,0,0,1,0|0,0,2]=4 298 B7R1.2 O=C1OCC(Cl)O1 E933 [0,1,0,0,1,0|2,0,0]=4 299 B7R1.2 OC1CCC(O)C1 7614AJ [0,1,0,0,1,0|0,0,2]=4 300 B7R1.4 BrC1=C(Br)CCC1 U121 [0,1,0,0,1,0|1,0,1]=4 301 B7R1.4 CC1CCNC1=O Y8455 [0,1,0,0,1,0|1,0,0]=3 302 B7R1.4 CC1CCOC1=O W3659 [0,1,0,0,1,0|1,0,0]=3 303 B7R1.4 CC1CSCC1=O 6972AB [0,1,0,0,1,0|1,0,0]=3 304 B7R1.4 CC1SCCC1=O 6512AA [0,1,0,0,1,0|1,0,0]=3 305 B7R1.4 CN1CCCC1=S 4914AL [0,1,0,0,1,0|1,1,0]=4 306 B7R1.4 NC1CCCC1O W9232 [0,1,0,0,1,0|0,0,2]=4 307 B7R1.4 NC1CCNC1=O 0020AD [0,1,0,0,1,0|1,0,0]=3 308 B7R1.4 NC1CONC1=O Z5032 [0,1,0,0,1,0|2,0,0]=4 309 B7R1.4 N[C@@H]1CCC[C@@H]1O V0969 [0,1,0,0,1,0|0,0,2]=4 310 B7R1.4 N[C@@H]1CCC[C@H]1O V0968 [0,1,0,0,1,0|0,0,2]=4 311 B7R1.4 N[C@H]1CCC[C@H]1O V0971 [0,1,0,0,1,0|0,0,2]=4 312 B7R1.4 O=C1CCC=C1O X8732 [0,1,0,0,1,0|0,0,2]=4 313 B7R1.4 O=C1OCCC1O 0071AB [0,1,0,0,1,0|1,0,0]=3 314 B7R1.4 O=C1OCC[C@H]1O 8329AB [0,1,0,0,1,0|1,0,0]=3 315 B7R1.4 OC1CCCC1O 5008AJ [0,1,0,0,1,0|0,0,2]=4 316 B7R1.4 O[C@@H]1CCC[C@H]1O 6973AB [0,1,0,0,1,0|0,0,2]=4 317 B9R1.5 CN1CCCNCC1=O W7308 [0,1,0,0,0,1|1,0,0]=3 318 B9R1.5 NC1CCCCNC1=O W5198 [0,1,0,0,0,1|0,0,0]=2 319 B9R1.5 N[C@@H]1CCCCNC1=O 2227AB [0,1,0,0,0,1|0,0,0]=2 320 B9R1.5 N[C@@H]1CCCCNC1=O W5158 [0,1,0,0,0,1|0,0,0]=2 321 B9R1.5 N[C@H]1CCCCNC1=O V2119 [0,1,0,0,0,1|0,0,0]=2 322 B9R1.48 O=C1CCCCC(=O)C1 X9379 [0,1,0,0,0,1|0,0,0]=2 323 B9R1.48 O=C1CCCCC(=O)O1 0435AB [0,1,0,0,0,1|0,0,1]=3 324 B9R1.49 CN1CCCC(O)CC1 W4100 [0,1,0,0,0,1|0,0,2]=4 325 B9R1.49 CN1CCNC(=O)CC1 3270AC [0,1,0,0,0,1|1,0,0]=3 326 B9R1.49 CN1CCNC(=O)CC1 W6867 [0,1,0,0,0,1|1,0,0]=3 327 B9R1.89 N#CC1CCCNCC1 3271AD [0,1,0,0,0,1|1,0,1]=4 328 B9R1.89 NCC1CCCCCC1 9307AA [0,1,0,0,0,1|1,0,1]=4 329 B9R1.89 ON=C1CCCCCC1 7507AL [0,1,0,0,0,1|0,0,1]=3 330 B9R1.1 CCC1CCC(N)CC1 8037AD [0,2,0,0,0,0|1,0,1]=4 331 B9R1.1 CCN1CCC(N)CC1 4454AE [0,2,0,0,0,0|2,0,0]=4 332 B9R1.1 CCN1CCC(N)CC1 V5477 [0,2,0,0,0,0|2,0,0]=4 333 B9R1.1 CC[C@H]1CC[C@H](O)CC1 9229AL [0,2,0,0,0,0|0,0,2]=4 334 B9R1.1 CN1CCC(C#N)CC1 Y8195 [0,2,0,0,0,0|2,0,0]=4 335 B9R1.1 CN1CCC(CCl)CC1 0048AD [0,2,0,0,0,0|2,0,0]=4 336 B9R1.1 CN1CCC(NN)CC1 2823AJ [0,2,0,0,0,0|2,0,0]=4 337 B9R1.1 CNC1CCC(O)CC1 1297AB [0,2,0,0,0,0|0,0,2]=4 338 B9R1.1 CNC1CCC(O)CC1 Y6165 [0,2,0,0,0,0|0,0,2]=4 339 B9R1.1 COC1CCC(=O)CC1 X9889 [0,2,0,0,0,0|0,0,0]=2 340 B9R1.1 COC1CCC(N)CC1 Z4754 [0,2,0,0,0,0|0,0,2]=4 341 B9R1.1 COC1CCC(O)CC1 9476AA [0,2,0,0,0,0|0,0,2]=4 342 B9R1.1 CO[C@H]1CC[C@H](N)CC1 4690AJ [0,2,0,0,0,0|0,0,2]=4 343 B9R1.1 CO[C@H]1CC[C@H](N)CC1 4691AJ [0,2,0,0,0,0|0,0,2]=4 344 B9R1.1 N#CC1CCC(=O)CC1 W5655 [0,2,0,0,0,0|0,0,0]=2 345 B9R1.1 N#CC1CCC(N)CC1 2647AJ [0,2,0,0,0,0|1,0,1]=4 346 B9R1.1 N#CC1CCC(O)CC1 W4762 [0,2,0,0,0,0|0,0,2]=4 347 B9R1.1 O=C1CCC(CO)CC1 Y8952 [0,2,0,0,0,0|0,0,0]=2 348 B9R1.1 OC[C@H]1CC[C@H](O)CC1 9224AL [0,2,0,0,0,0|0,0,2]=4 349 B9R1.2 CCC1CCCC(=O)C1 7677AD [0,2,0,0,0,0|0,0,0]=2 350 B9R1.2 CN1CCCC(CN)C1 W3191 [0,2,0,0,0,0|2,0,0]=4 351 B9R1.2 CN1CCC[C@@H](CO)C1 2915AH [0,2,0,0,0,0|2,0,0]=4 352 B9R1.2 CN1CCC[C@H](CO)C1 2962AH [0,2,0,0,0,0|2,0,0]=4 353 B9R1.2 NCC1CCCC(O)C1 2722AA [0,2,0,0,0,0|0,0,2]=4 354 B9R1.6 CC(=O)C1=CCCCC1 7650AJ [0,2,0,0,0,0|0,0,1]=3 355 B9R1.6 CC(=O)C1CCNCC1 W9267 [0,2,0,0,0,0|1,0,1]=4 356 B9R1.6 CC(O)C1CCCCC1 3320AA [0,2,0,0,0,0|0,0,2]=4 357 B9R1.6 N=C(N)N1CCCCC1 3434AF [0,2,0,0,0,0|2,0,0]=4 358 B9R1.6 N=C(N)N1CCCCC1 9013AJ [0,2,0,0,0,0|2,0,0]=4 359 B9R1.6 N=C(N)N1CCCCC1 Y6828 [0,2,0,0,0,0|2,0,0]=4 360 B9R1.6 NC(=O)C1CCCCN1 X0387 [0,2,0,0,0,0|1,0,1]=4 361 B9R1.6 NC(=O)C1CCOCC1 W5605 [0,2,0,0,0,0|1,0,1]=4 362 B9R1.6 NC(=O)N1CCNCC1 4107AE [0,2,0,0,0,0|2,0,0]=4 363 B9R1.6 NC(=O)N1CCOCC1 0972AB [0,2,0,0,0,0|2,0,0]=4 364 B9R1.6 O=C(O)C1=CCCCO1 6288AJ [0,2,0,0,0,0|1,0,1]=4 365 B9R1.6 O=C(O)C1=CCCNC1 8985AB [0,2,0,0,0,0|1,0,1]=4 366 B9R1.6 O=C(O)C1=COCCC1 2840AE [0,2,0,0,0,0|1,0,1]=4 367 B9R1.6 O=C(O)C1CCCCO1 Y9295 [0,2,0,0,0,0|1,0,1]=4 368 B9R1.6 O=C(O)C1CCCOC1 W8958 [0,2,0,0,0,0|1,0,1]=4 369 B9R1.6 O=C(O)C1CCNCC1 W7261 [0,2,0,0,0,0|1,0,1]=4 370 B9R1.6 O=C(O)C1CCSCC1 W9239 [0,2,0,0,0,0|1,0,1]=4 371 B9R1.6 O=C(O)N1CCNCC1 E072 [0,2,0,0,0,0|2,0,0]=4 372 B9R1.6 O=C(O)[C@@H]1CCCCN1 W4435 [0,2,0,0,0,0|1,0,1]=4 373 B9R1.6 O=C(O)[C@@H]1CCCNC1 W9119 [0,2,0,0,0,0|1,0,1]=4 374 B9R1.6 O=C(O)[C@H]1CCCNC1 3193AC [0,2,0,0,0,0|1,0,1]=4 375 B9R1.6 O=C(O)[C@H]1CCCNC1 C833 [0,2,0,0,0,0|1,0,1]=4 376 B9R1.8 BrCCN1CCCCC1 4892AC [0,2,0,0,0,0|2,0,0]=4 377 B9R1.8 C#CCC1CCCCC1 Y8015 [0,2,0,0,0,0|1,0,1]=4 378 B9R1.8 CNCC1CCCCC1 V3614 [0,2,0,0,0,0|1,0,1]=4 379 B9R1.8 CNCC1CCCCC1 V4720 [0,2,0,0,0,0|1,0,1]=4 380 B9R1.8 N#CCC1CCCCC1 5033AH [0,2,0,0,0,0|1,0,1]=4 381 B9R1.8 NCCC1CCCCC1 Z4868 [0,2,0,0,0,0|1,0,1]=4 382 B9R1.8 NNCC1CCCCC1 V5510 [0,2,0,0,0,0|1,0,1]=4 383 B9R1.8 O=CCC1CCOCC1 W7684 [0,2,0,0,0,0|1,0,1]=4 384 B9R1.15 CCN1CCNCC1=O Y9576 [0,2,0,0,0,0|2,0,0]=4 385 B9R1.15 CN1CCCCC1CCl W5058 [0,2,0,0,0,0|2,0,0]=4 386 B9R1.15 COC1CCCCC1=O 5686AL [0,2,0,0,0,0|0,0,0]=2 387 B9R1.15 N#CC1CCCCC1=O 6221AB [0,2,0,0,0,0|0,0,0]=2 388 B9R1.15 N#CC1CNCCC1=O X9983 [0,2,0,0,0,0|1,0,0]=3 389 B9R1.15 O=CC1=C(Cl)CCCC1 Z2040 [0,2,0,0,0,0|0,0,1]=3 390 B9R1.10 CC1(C)CCC(N)CC1 0566AB [0,2,0,0,0,0|1,0,1]=4 391 B9R1.10 CC1(C)CCC(N)CC1 2149AB [0,2,0,0,0,0|1,0,1]=4 392 B9R1.10 NC1CCC(F)(F)CC1 6310AB [0,2,0,0,0,0|1,0,1]=4 393 B9R1.10 NC1CCS(=O)(=O)CC1 X9169 [0,2,0,0,0,0|1,0,0]=3 394 B9R1.10 NN1CCS(=O)(=O)CC1 2371AB [0,2,0,0,0,0|2,0,0]=4 395 B9R1.10 O=C1CCC(F)(F)CC1 X3081 [0,2,0,0,0,0|0,0,0]=2 396 B9R1.10 O=C1CCS(=O)(=O)CC1 W3795 [0,2,0,0,0,0|1,0,0]=3 397 B9R1.10 O=S1(=O)CCC(O)CC1 Z4358 [0,2,0,0,0,0|1,0,0]=3 398 B9R1.69 CC1CC(N)CCN1C 5009AJ [0,2,0,0,0,0|2,0,0]=4 399 B9R1.69 CC1CCC(O)CC1C 5905AL [0,2,0,0,0,0|0,0,2]=4 400 B9R1.69 CN1CCC(=O)CC1=O Y2123 [0,2,0,0,0,0|1,0,1]=4 401 B9R1.69 NC1CCC(=O)NC1=O 1594AB [0,2,0,0,0,0|1,0,1]=4 402 B9R1.3 CC1CCCC(O)C1C 5234AL [0,2,0,0,0,0|0,0,2]=4 403 B9R1.3 OC1CCCC(O)C1O 4399AL [0,2,0,0,0,0|0,0,2]=4 404 B9R1.34 CC1CC(=O)CC(C)O1 1555AA [0,2,0,0,0,0|1,0,0]=3 405 B9R1.34 CC1CC(=O)OC(=O)C1 6113AL [0,2,0,0,0,0|1,0,1]=4 406 B9R1.34 CC1CC(C)CC(O)C1 7861AB [0,2,0,0,0,0|0,0,2]=4 407 B9R1.34 OC1CC(O)CC(O)C1 0465AB [0,2,0,0,0,0|0,0,2]=4 408 B9R1.66 CC1(C)CC(=O)CCO1 V2429 [0,2,0,0,0,0|1,0,0]=3 409 B9R1.66 CC1(O)CCOC(=O)C1 I616 [0,2,0,0,0,0|1,0,0]=3 410 B9R1.40 CC1(C)NCCNC1=O W4622 [0,2,0,0,0,0|2,0,0]=4 411 B7R1.22 [C@@H]1(C(=O)OC)CO1 4453AH [0,0,1,1,0,0|2,0,0]=4 412 B7R1.7 CCCCC1CO1 4465AL [0,0,1,1,0,0|0,0,2]=4 413 B7R1.18 CC(=O)C1CCC1 9513AD [0,0,1,1,0,0|0,0,0]=2 414 B7R1.18 CC(O)C1CCC1 W8263 [0,0,1,1,0,0|0,0,2]=4 415 B7R1.18 N=C(N)C1CCC1 1131AC [0,0,1,1,0,0|2,0,0]=4 416 B7R1.18 O=C(O)C1CCN1 X2014 [0,0,1,1,0,0|2,0,0]=4 417 B7R1.18 O=C(O)C1COC1 X3417 [0,0,1,1,0,0|2,0,0]=4 418 B7R1.18 O=C(O)[C@@H]1CCN1 D297 [0,0,1,1,0,0|2,0,0]=4 419 B7R1.18 O=C(O)[C@H]1CCN1 Z4994 [0,0,1,1,0,0|2,0,0]=4 420 B9R2.7 [C@H]12CC=C[C@H]1CC2=O 1038AC [0,0,0,1,0,1|0,0,1]=3 421 B9R2.68 C1CC2CNCC1O2 W6897 [0,0,0,1,0,1|0,0,2]=4 422 B9R2.68 C1CC2COCC1N2 W9318 [0,0,0,1,0,1|1,0,1]=4 423 B9R2.109 O=C1CCCC2OC12 7860AE [0,0,0,1,0,1|0,0,0]=2 424 B9R2.49 C1CN2CCC1CC2 3811AL [0,1,0,1,0,0|2,0,0]=4 425 B9R2.39 [C@H]12CC[C@H](C1)[C@H](O)C2 7931AL [0,1,0,1,0,0|0,0,2]=4 426 B5R1.1 C1=CCCC1 7379AF [1,0,0,0,1,0|0,0,1]=3 427 B5R1.1 C1CCCC1 8499AJ [1,0,0,0,1,0|0,0,0]=2 428 B5R1.2 ClC1CCC1 Z7366 [0,0,0,0,2,0|1,0,1]=4 429 B5R1.2 O=C1CCN1 W9581 [0,0,0,0,2,0|1,0,0]=3 430 B5R1.2 O=C1CSC1 Z4430 [0,0,0,0,2,0|1,0,0]=3 431 B9R1.50 OC1CCCCCCC1 7963AF [0,0,0,0,0,2|0,0,2]=4