0 B5R0.2 C#CCCC#C T72733 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.2 C#CCCOC AC9661 [0,0,0,0,0,0|1,1,1]=3 2 B5R0.2 C#CCNCC AT19974 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.2 C=CCCC#N C16042 [0,0,0,0,0,0|3,0,0]=3 4 B5R0.2 C=CCCON S12259 [0,0,0,0,0,0|2,1,0]=3 5 B5R0.2 C=CCNC#N D77561 [0,0,0,0,0,0|4,0,0]=4 6 B5R0.2 CC#CCNC AT19972 [0,0,0,0,0,0|2,0,2]=4 7 B5R0.2 CCCC#CI T71796 [0,0,0,0,0,0|2,0,2]=4 8 B5R0.2 CCCCNN AC6660 [0,0,0,0,0,0|3,0,0]=3 9 B5R0.2 CCCCNO AT14838 [0,0,0,0,0,0|2,0,1]=3 10 B5R0.2 CCCNOC AT24927 [0,0,0,0,0,0|2,1,1]=4 11 B5R0.2 CNCCSC D87904 [0,0,0,0,0,0|2,0,0]=2 12 B5R0.2 COCCNN AC7088 [0,0,0,0,0,0|2,1,0]=3 13 B5R0.2 CONCCO AT24903 [0,0,0,0,0,0|1,1,2]=4 14 B5R0.2 C\C=C\CCN AT22492 [0,0,0,0,0,0|2,0,2]=4 15 B5R0.2 N#CCCCN N13271 [0,0,0,0,0,0|3,0,1]=4 16 B5R0.2 N#CCCNN F20777 [0,0,0,0,0,0|3,0,1]=4 17 B5R0.2 NCCCNN W10659 [0,0,0,0,0,0|3,0,1]=4 18 B5R0.2 NCCCNO AT14843 [0,0,0,0,0,0|3,0,1]=4 19 B5R0.2 NNCCCO W10664 [0,0,0,0,0,0|2,0,2]=4 20 B5R0.2 NOCCCO P16653 [0,0,0,0,0,0|1,1,2]=4 21 B5R0.2 [2H]OCCCC D98922 [0,0,0,0,0,0|3,0,0]=3 22 B5R0.2 [2H]OCCO[2H] D98232 [0,0,0,0,0,0|3,1,0]=4 23 B4R0.2 C#CCSC AT19944 [1,0,0,0,0,0|0,0,2]=3 24 B4R0.2 C=C=CCC T72673 [1,0,0,0,0,0|1,0,2]=4 25 B4R0.2 C=CCCI C77576 [1,0,0,0,0,0|2,0,0]=3 26 B4R0.2 C=CCCN AT25938 [1,0,0,0,0,0|2,0,0]=3 27 B4R0.2 CC#CCN AT19966 [1,0,0,0,0,0|2,0,1]=4 28 B4R0.2 CCNCC T70517 [1,0,0,0,0,0|2,0,1]=4 29 B4R0.2 CC\C=C\Br F11593 [1,0,0,0,0,0|1,0,1]=3 30 B4R0.2 CNCCS AT25552 [1,0,0,0,0,0|1,1,0]=3 31 B4R0.2 COCCS AT13674 [1,0,0,0,0,0|0,2,0]=3 32 B4R0.2 NCCCI AC8002 [1,0,0,0,0,0|2,0,1]=4 33 B4R0.2 NCCCN T70141 [1,0,0,0,0,0|2,0,1]=4 34 B4R0.2 NCCCN T70477 [1,0,0,0,0,0|2,0,1]=4 35 B4R0.2 NCCNO AT14839 [1,0,0,0,0,0|2,0,1]=4 36 B4R0.2 O=C\C=N/O F18478 [1,0,0,0,0,0|1,1,1]=4 37 B4R0.2 O=C\C=N\O F18186 [1,0,0,0,0,0|1,1,1]=4 38 B4R0.2 [2H]OCCC D99167 [1,0,0,0,0,0|2,0,0]=3 39 B6R0.1 C=CC[C@H](N)CO N11070 [0,1,0,0,0,0|3,0,0]=4 40 B6R0.1 C=CC[C@H](N)CO N11385 [0,1,0,0,0,0|3,0,0]=4 41 B6R0.1 C=CC[C@H](N)CO N15485 [0,1,0,0,0,0|3,0,0]=4 42 B6R0.1 C=CC[C@H](O)CN AT10905 [0,1,0,0,0,0|3,0,0]=4 43 B6R0.1 C=C[C@@H](C)CCC T72328 [0,1,0,0,0,0|2,0,0]=3 44 B6R0.1 C=C[C@@H](O)CC#N F19703 [0,1,0,0,0,0|3,0,0]=4 45 B6R0.1 CCC[C@H](C)CBr S11885 [0,1,0,0,0,0|2,0,1]=4 46 B6R0.1 CC[C@H](N)CCO AT22371 [0,1,0,0,0,0|1,0,2]=4 47 B6R0.1 CC[C@H](N)COC D87652 [0,1,0,0,0,0|1,1,1]=4 48 B6R0.1 CC[C@H](N)COC D87653 [0,1,0,0,0,0|1,1,1]=4 49 B6R0.1 CC[C@H](O)CC#N A50899 [0,1,0,0,0,0|2,0,1]=4 50 B6R0.1 CNC[C@@H](C)CN T70175 [0,1,0,0,0,0|2,0,1]=4 51 B6R0.1 CNC[C@H](O)CO 56523 [0,1,0,0,0,0|1,0,2]=4 52 B6R0.1 CNC[C@H](O)CO 56531 [0,1,0,0,0,0|1,0,2]=4 53 B6R0.1 COC[C@@H](C)CO O10176 [0,1,0,0,0,0|0,1,2]=4 54 B6R0.1 COC[C@@H](N)CO 91276 [0,1,0,0,0,0|0,1,2]=4 55 B6R0.1 COC[C@@H](N)CO 91277 [0,1,0,0,0,0|0,1,2]=4 56 B6R0.1 COC[C@@H](N)CO C90595 [0,1,0,0,0,0|0,1,2]=4 57 B6R0.1 COC[C@@H](O)CN 94766 [0,1,0,0,0,0|1,1,1]=4 58 B6R0.1 COC[C@@H](O)CN 98632 [0,1,0,0,0,0|1,1,1]=4 59 B6R0.1 COC[C@H](C)C#N C77646 [0,1,0,0,0,0|1,1,1]=4 60 B6R0.1 COC[C@H](N)C#N AT12993 [0,1,0,0,0,0|1,1,1]=4 61 B6R0.1 CSC[C@@H](N)CO 96818 [0,1,0,0,0,0|0,0,2]=3 62 B6R0.1 CSC[C@@H](N)CO 96819 [0,1,0,0,0,0|0,0,2]=3 63 B6R0.4 C#CCCN(C)C AC9551 [0,1,0,0,0,0|2,0,1]=4 64 B6R0.4 C=C(C)CCCO 71061 [0,1,0,0,0,0|1,0,2]=4 65 B6R0.4 CC#CCC(=O)O AT21835 [0,1,0,0,0,0|1,0,1]=3 66 B6R0.4 CC(C)CCNN AC3937 [0,1,0,0,0,0|3,0,0]=4 67 B6R0.4 CCCNC(=S)[S-] I11294 [0,1,0,0,0,0|2,1,0]=4 68 B6R0.4 CCNCC(=O)O T72729 [0,1,0,0,0,0|2,0,0]=3 69 B6R0.4 CCONC(C)=O AT24904 [0,1,0,0,0,0|3,0,0]=4 70 B6R0.4 CN(C)CCNN W16036 [0,1,0,0,0,0|3,0,0]=4 71 B6R0.4 CNCCC(N)=O C78256 [0,1,0,0,0,0|1,0,0]=2 72 B6R0.4 COCOC(C)=O D72003 [0,1,0,0,0,0|1,1,0]=3 73 B6R0.4 C[C@H](N)CCCO AT20758 [0,1,0,0,0,0|1,0,2]=4 74 B6R0.4 C[C@H](O)CCC#N F51113 [0,1,0,0,0,0|2,0,1]=4 75 B6R0.4 C[C@H](O)CCCBr A11305 [0,1,0,0,0,0|2,0,1]=4 76 B6R0.4 C[C@H](O)CCCN AT20756 [0,1,0,0,0,0|2,0,1]=4 77 B6R0.4 NC(=O)CCCO AT20755 [0,1,0,0,0,0|2,0,0]=3 78 B6R0.4 NCCCC(=O)O T70552 [0,1,0,0,0,0|2,0,0]=3 79 B6R0.4 NCCCC(N)=O AC5898 [0,1,0,0,0,0|2,0,0]=3 80 B6R0.4 NOCCC(=O)O AT14539 [0,1,0,0,0,0|1,1,0]=3 81 B6R0.4 O=C(Cl)OCCF AT25498 [0,1,0,0,0,0|3,0,0]=4 82 B6R0.4 O=[N+]([O-])CCCO A12344 [0,1,0,0,0,0|3,0,0]=4 83 B6R0.4 [2H][C@H](Br)CCCC D99408 [0,1,0,0,0,0|2,0,1]=4 84 B6R0.6 C#CCCCCN D76652 [0,1,0,0,0,0|2,0,1]=4 85 B6R0.6 C=CCCCC=C T72268 [0,1,0,0,0,0|2,0,1]=4 86 B6R0.6 C=CCSCCN AT25545 [0,1,0,0,0,0|3,0,0]=4 87 B6R0.6 CCNCCSC AT25567 [0,1,0,0,0,0|1,0,1]=3 88 B6R0.6 CCOCCNN AC6859 [0,1,0,0,0,0|2,1,0]=4 89 B6R0.6 CCOCCON AT14482 [0,1,0,0,0,0|2,1,0]=4 90 B6R0.6 CCO\C=C\C=O F18326 [0,1,0,0,0,0|0,1,2]=4 91 B6R0.6 CNCCCC#N AB10346 [0,1,0,0,0,0|2,0,1]=4 92 B6R0.6 CNCCCOC F15969 [0,1,0,0,0,0|1,0,2]=4 93 B6R0.6 COCCCC#N C77649 [0,1,0,0,0,0|1,1,1]=4 94 B6R0.6 COCCCCN C77605 [0,1,0,0,0,0|1,1,1]=4 95 B6R0.6 COCCCON AT14486 [0,1,0,0,0,0|0,1,2]=4 96 B6R0.6 COCCN=C=O D87777 [0,1,0,0,0,0|0,1,1]=3 97 B6R0.6 CSCCN=C=S AT25553 [0,1,0,0,0,0|0,1,1]=3 98 B6R0.6 C\C=C/CCCCl T71143 [0,1,0,0,0,0|2,0,1]=4 99 B6R0.6 N#CCCCCN AC2033 [0,1,0,0,0,0|2,0,1]=4 100 B6R0.6 O=CNCCCO AC9004 [0,1,0,0,0,0|2,0,0]=3 101 B6R0.6 [2H]OCCCCC D99155 [0,1,0,0,0,0|1,0,2]=4 102 B6R1.1 C1CCNCC1 S11730 [0,0,0,1,0,0|2,0,1]=4 103 B6R1.1 C1CCONC1 P10408 [0,0,0,1,0,0|2,0,1]=4 104 B6R1.1 C1CNCOC1 C72764 [0,0,0,1,0,0|1,0,2]=4 105 B6R1.2 C[C@H]1CCNC1 71655 [0,0,0,1,0,0|2,0,1]=4 106 B6R1.2 FC1CCCC1 T71800 [0,0,0,1,0,0|2,0,1]=4 107 B6R1.2 F[C@H]1CCNC1 FD10498 [0,0,0,1,0,0|2,0,1]=4 108 B6R1.2 O=C1CCON1 A11072 [0,0,0,1,0,0|1,1,0]=3 109 B6R1.2 O=C1CNCN1 C15062 [0,0,0,1,0,0|2,0,0]=3 110 B6R1.3 O=C=NC1CC1 AC8066 [0,0,0,1,0,0|2,0,1]=4 111 B6R1.4 CC1CCC1N W15200 [0,0,0,1,0,0|2,0,1]=4 112 B6R1.6 CNC1COC1 F51705 [0,0,0,1,0,0|2,1,0]=4 113 B6R1.6 N#CC1CSC1 56781 [0,0,0,1,0,0|1,0,1]=3 114 B6R1.6 NOC1CCC1 97653 [0,0,0,1,0,0|3,0,0]=4 115 B6R1.6 NOC1COC1 97652 [0,0,0,1,0,0|2,1,0]=4 116 B6R1.8 CC1CC1C#N C77546 [0,0,0,1,0,0|2,0,1]=4 117 B6R1.8 CC1CC1CBr P20770 [0,0,0,1,0,0|2,0,1]=4 118 B6R1.8 CC[C@H]1C[C@@H]1N AT11453 [0,0,0,1,0,0|2,0,1]=4 119 B6R1.8 CC[C@H]1C[C@@H]1N AT11457 [0,0,0,1,0,0|2,0,1]=4 120 B6R1.8 C[C@@H]1C[C@@H]1CBr 55223 [0,0,0,1,0,0|2,0,1]=4 121 B3R0.1 CCCN T71779 [2,0,0,0,0,0|1,0,0]=3 122 B3R0.1 NCCI AC7986 [2,0,0,0,0,0|2,0,0]=4 123 B3R0.1 [2H]CCBr D98237 [2,0,0,0,0,0|2,0,0]=4 124 B3R0.1 [2H]OC=O D99054 [2,0,0,0,0,0|1,1,0]=4 125 B3R0.1 [2H]OCC D99756 [2,0,0,0,0,0|1,1,0]=4 126 B5R0.1 C#CC[C@H](C)N AT12968 [1,1,0,0,0,0|1,0,1]=4 127 B5R0.1 C=C(C)CCC D91296 [1,1,0,0,0,0|1,0,0]=3 128 B5R0.1 C=CCC(=C)C T72918 [1,1,0,0,0,0|1,0,1]=4 129 B5R0.1 C=CC[C@H](C)N AT12969 [1,1,0,0,0,0|1,0,0]=3 130 B5R0.1 CC#CC(C)=O AC8567 [1,1,0,0,0,0|0,0,2]=4 131 B5R0.1 CC(=O)CCBr D82681 [1,1,0,0,0,0|1,0,0]=3 132 B5R0.1 CC(C)CNN AR2531 [1,1,0,0,0,0|2,0,0]=4 133 B5R0.1 CCC[C@H](C)N N10856 [1,1,0,0,0,0|1,0,1]=4 134 B5R0.1 CCC[C@H](C)N N15476 [1,1,0,0,0,0|1,0,1]=4 135 B5R0.1 CN(C)CCBr F20843 [1,1,0,0,0,0|2,0,0]=4 136 B5R0.1 CNCC(C)=O 72642 [1,1,0,0,0,0|1,0,0]=3 137 B5R0.1 CONC(C)=O AT24901 [1,1,0,0,0,0|1,1,0]=4 138 B5R0.1 CONC(N)=O AT24902 [1,1,0,0,0,0|1,1,0]=4 139 B5R0.1 CSC[C@H](C)N AT10784 [1,1,0,0,0,0|0,0,1]=3 140 B5R0.1 C[C@H](N)CC#N N14213 [1,1,0,0,0,0|1,0,1]=4 141 B5R0.1 C[C@H](N)CCO 83613 [1,1,0,0,0,0|0,0,2]=4 142 B5R0.1 C[C@H](N)CCO 83649 [1,1,0,0,0,0|0,0,2]=4 143 B5R0.1 C[C@H](O)CCN D77181 [1,1,0,0,0,0|1,0,1]=4 144 B5R0.1 C[C@H](O)CCN D77194 [1,1,0,0,0,0|1,0,1]=4 145 B5R0.1 C[C@H](O)CNN W10671 [1,1,0,0,0,0|2,0,0]=4 146 B5R0.1 C[C@H](O)CON AT14481 [1,1,0,0,0,0|2,0,0]=4 147 B5R0.1 C[S@](=O)CCN AT24516 [1,1,0,0,0,0|1,0,1]=4 148 B5R0.1 C[S@](=O)CCN AT24517 [1,1,0,0,0,0|1,0,1]=4 149 B5R0.1 C[S@](=O)CCO E72546 [1,1,0,0,0,0|0,0,2]=4 150 B5R0.1 C\C=C/C(C)C T72834 [1,1,0,0,0,0|1,0,1]=4 151 B5R0.1 N#CCC(=O)Cl 79959 [1,1,0,0,0,0|1,0,1]=4 152 B5R0.1 N=C(N)CCO AT21673 [1,1,0,0,0,0|1,1,0]=4 153 B5R0.1 NCCC(=O)O T70551 [1,1,0,0,0,0|1,0,0]=3 154 B5R0.1 NCCC(N)=O AC6190 [1,1,0,0,0,0|1,0,0]=3 155 B5R0.1 NCC[N+](=O)[O-] AT10581 [1,1,0,0,0,0|2,0,0]=4 156 B5R0.1 NCC[P@H](=O)O S12399 [1,1,0,0,0,0|2,0,0]=4 157 B5R0.1 [2H]C(=O)OCC D98566 [1,1,0,0,0,0|1,0,0]=3 158 B5R0.3 C#C[C@@H](C)CC W11641 [1,1,0,0,0,0|1,0,1]=4 159 B5R0.3 CC[C@H](C)CBr D86395 [1,1,0,0,0,0|1,0,1]=4 160 B5R0.3 CC[C@H](C)CN 88661 [1,1,0,0,0,0|1,0,1]=4 161 B5R0.3 CC[C@H](C)CO 88660 [1,1,0,0,0,0|0,0,2]=4 162 B5R0.3 CC[C@H](C)NN AB8698 [1,1,0,0,0,0|2,0,0]=4 163 B5R0.3 CC[C@H](C)ON AT14504 [1,1,0,0,0,0|2,0,0]=4 164 B5R0.3 CC[C@H](N)C#N AT12684 [1,1,0,0,0,0|1,0,1]=4 165 B5R0.3 CC[C@H](N)C#N AT12685 [1,1,0,0,0,0|1,0,1]=4 166 B5R0.3 CC[C@H](N)C#N N14345 [1,1,0,0,0,0|1,0,1]=4 167 B5R0.3 CO[C@@H](C)CN 91000 [1,1,0,0,0,0|1,1,0]=4 168 B5R0.3 O=C[C@@H](O)CO C15860 [1,1,0,0,0,0|0,1,0]=3 169 B5R0.3 O=C[C@@H](O)CO S10019 [1,1,0,0,0,0|0,1,0]=3 170 B7R0.2 C=C(C)C[C@@H](C)CC T70395 [0,2,0,0,0,0|2,0,0]=4 171 B7R0.2 C[C@H](CCl)CC(=O)Cl AC1923 [0,2,0,0,0,0|2,0,0]=4 172 B7R0.2 N[C@H](CO)CC(=O)O FD10277 [0,2,0,0,0,0|2,0,0]=4 173 B7R0.2 N[C@H](CO)CC(=O)O FD10309 [0,2,0,0,0,0|2,0,0]=4 174 B7R0.3 CCC(=O)OCOC D72002 [0,2,0,0,0,0|1,1,0]=4 175 B7R0.3 CCCNC(=O)CN C78397 [0,2,0,0,0,0|2,0,0]=4 176 B7R0.3 CCSC[C@H](C)NN D88052 [0,2,0,0,0,0|2,0,0]=4 177 B7R0.3 CNOCC(=O)OC AT14517 [0,2,0,0,0,0|2,0,0]=4 178 B7R0.3 COC(=O)CCCN 32601 [0,2,0,0,0,0|2,0,0]=4 179 B7R0.3 C\C=C\C[C@@H](C)CC T72110 [0,2,0,0,0,0|2,0,0]=4 180 B7R0.5 CC(=O)[C@@H](C)CCBr AC2947 [0,2,0,0,0,0|2,0,0]=4 181 B7R0.5 CCCC(=O)C(N)=O AC9508 [0,2,0,0,0,0|1,0,1]=4 182 B7R0.5 CCC[C@H](O)C(N)=O AC9726 [0,2,0,0,0,0|1,0,0]=3 183 B7R0.5 CNC[C@H](N)C(=O)O 88602 [0,2,0,0,0,0|1,0,0]=3 184 B7R0.5 C[Se]C[C@H](N)C(=O)O C16524 [0,2,0,0,0,0|0,1,0]=3 185 B7R0.5 NCC[C@H](F)C(=O)O F19724 [0,2,0,0,0,0|2,0,0]=4 186 B7R0.5 NCC[C@H](N)C(=O)O F10323 [0,2,0,0,0,0|2,0,0]=4 187 B7R0.7 CCS[C@@H](C)CC=O D86335 [0,2,0,0,0,0|0,0,0]=2 188 B7R0.10 COC(=O)[C@@H](C)C=O AC6281 [0,2,0,0,0,0|0,1,1]=4 189 B7R0.10 COC(=O)[C@@H](Cl)C=O 89839 [0,2,0,0,0,0|0,1,1]=4 190 B7R0.10 O=C[C@@H](O)[C@@H](O)CO T72661 [0,2,0,0,0,0|2,0,0]=4 191 B7R0.11 C=CC(C)(C)CCC T70796 [0,2,0,0,0,0|2,0,0]=4 192 B7R0.11 CCOC(C)(C)C=O F20263 [0,2,0,0,0,0|2,0,0]=4 193 B7R0.11 COCC(C)(C)C=O D84794 [0,2,0,0,0,0|0,1,0]=3 194 B7R0.4 C#CCNCC(=O)O AT20711 [0,2,0,0,0,0|1,0,1]=4 195 B7R0.4 C#CCOCC(=O)O AT18966 [0,2,0,0,0,0|1,0,1]=4 196 B7R0.4 C#CCOCC(N)=O AT20727 [0,2,0,0,0,0|1,0,1]=4 197 B7R0.4 C#CCSCC(=O)O AT18970 [0,2,0,0,0,0|1,0,1]=4 198 B7R0.4 C=C(C)CC\C=C\C T72820 [0,2,0,0,0,0|2,0,0]=4 199 B7R0.4 C=CCOCC(=O)O D77063 [0,2,0,0,0,0|1,0,1]=4 200 B7R0.4 CC(=O)NCCCN AR2174 [0,2,0,0,0,0|2,0,0]=4 201 B7R0.4 CCCCCC(N)=S W19000 [0,2,0,0,0,0|1,1,0]=4 202 B7R0.4 CCNCCC(N)=O A11725 [0,2,0,0,0,0|1,0,0]=3 203 B7R0.4 CC\C=C/CC(=O)O F18341 [0,2,0,0,0,0|1,0,1]=4 204 B7R0.4 CNCCCC(N)=O AB11605 [0,2,0,0,0,0|1,0,0]=3 205 B7R0.4 CNCCNC(C)=O C77870 [0,2,0,0,0,0|1,0,0]=3 206 B7R0.4 COCCC[N+](=O)[O-] E70181 [0,2,0,0,0,0|0,1,1]=4 207 B7R0.4 COC\C=C\C(=O)O P17072 [0,2,0,0,0,0|0,1,1]=4 208 B7R0.4 C[S@](=O)CCCCN 13216 [0,2,0,0,0,0|2,0,0]=4 209 B7R0.4 NC(=O)CCCCBr AC9465 [0,2,0,0,0,0|1,0,0]=3 210 B7R0.4 NC(=O)CCCCCl AC5718 [0,2,0,0,0,0|1,0,0]=3 211 B7R0.4 NCCCCC(N)=O AC3685 [0,2,0,0,0,0|1,0,0]=3 212 B7R0.4 NCCSCC(=O)O AT25571 [0,2,0,0,0,0|2,0,0]=4 213 B7R0.4 O=C(Cl)COCCCl AT18762 [0,2,0,0,0,0|2,0,0]=4 214 B7R0.6 C=C(Br)CCC(=O)O C11119 [0,2,0,0,0,0|1,0,1]=4 215 B7R0.6 CC(=S)NCC(=O)O D92690 [0,2,0,0,0,0|2,0,0]=4 216 B7R0.6 C[S+](C)CCC(=O)[O-] F16477 [0,2,0,0,0,0|0,0,1]=3 217 B7R0.8 CNCCS(N)(=O)=O AT20776 [0,2,0,0,0,0|2,0,0]=4 218 B7R0.8 COCCS(=O)(=O)F AT23209 [0,2,0,0,0,0|1,1,0]=4 219 B7R0.8 COCCS(N)(=O)=O AT20623 [0,2,0,0,0,0|1,1,0]=4 220 B7R0.8 CSCCS(=O)(=O)Cl AT12633 [0,2,0,0,0,0|1,0,0]=3 221 B7R0.1 C=CCCCCCCl I11994 [0,2,0,0,0,0|2,0,0]=4 222 B7R0.1 C=CCCCCCO F14745 [0,2,0,0,0,0|2,0,0]=4 223 B7R0.1 C=CC\C=C\CCC T72633 [0,2,0,0,0,0|2,0,0]=4 224 B7R0.1 C\C=C/CCCCC T72919 [0,2,0,0,0,0|2,0,0]=4 225 B7R0.1 NCCSCCCO AT25557 [0,2,0,0,0,0|0,0,2]=4 226 B7R0.1 O=CCCCCCCl 24359 [0,2,0,0,0,0|1,0,0]=3 227 B5R1.1 C1=NCCO1 F18129 [1,0,0,1,0,0|1,0,1]=4 228 B5R1.1 C1=NNCC1 F12428 [1,0,0,1,0,0|2,0,0]=4 229 B5R1.1 C1CNOC1 F14141 [1,0,0,1,0,0|1,0,1]=4 230 B5R1.2 C[C@H]1CCN1 71554 [1,0,0,1,0,0|1,0,1]=4 231 B5R1.2 FC1CNC1 31039 [1,0,0,1,0,0|2,0,0]=4 232 B5R1.2 IC1CNC1 P11673 [1,0,0,1,0,0|2,0,0]=4 233 B5R1.2 NC1CNC1 AC2715 [1,0,0,1,0,0|2,0,0]=4 234 B5R1.2 O=C1CNC1 D87722 [1,0,0,1,0,0|1,0,0]=3 235 B5R1.3 C=CC1CC1 59738 [1,0,0,1,0,0|1,0,0]=3 236 B5R1.3 IC[C@H]1CO1 CS1242 [1,0,0,1,0,0|1,1,0]=4 237 B5R1.3 NNC1CC1 P19257 [1,0,0,1,0,0|2,0,0]=4 238 B5R1.3 SCC1CC1 AT12991 [1,0,0,1,0,0|0,1,1]=4 239 B5R1.4 C[C@H]1C[C@@H]1N 73029 [1,0,0,1,0,0|1,0,1]=4 240 B7R1.1 CN[C@H]1CCSC1 D72867 [0,1,0,1,0,0|1,0,1]=4 241 B7R1.2 CN1CCC(=O)C1 64219 [0,1,0,1,0,0|1,0,0]=3 242 B7R1.2 C[C@@H]1CNC(=O)C1 P15842 [0,1,0,1,0,0|2,0,0]=4 243 B7R1.2 C[C@@H]1COC(=O)C1 AT23255 [0,1,0,1,0,0|2,0,0]=4 244 B7R1.2 C[C@H]1CNC(=O)O1 C13778 [0,1,0,1,0,0|2,0,0]=4 245 B7R1.2 C[C@H]1COC(=O)N1 C77658 [0,1,0,1,0,0|2,0,0]=4 246 B7R1.2 C[C@H]1NCC(=O)N1 F31285 [0,1,0,1,0,0|2,0,0]=4 247 B7R1.2 C[C@H]1NCC(=O)N1 F31286 [0,1,0,1,0,0|2,0,0]=4 248 B7R1.2 N[C@H]1CCC(=O)C1 C14417 [0,1,0,1,0,0|1,0,0]=3 249 B7R1.2 O=C1C=C[C@@H](O)C1 86326 [0,1,0,1,0,0|1,0,1]=4 250 B7R1.2 O=C1CCC(=S)N1 N13285 [0,1,0,1,0,0|2,0,0]=4 251 B7R1.2 O=C1CC[C@H](F)C1 P11910 [0,1,0,1,0,0|1,0,0]=3 252 B7R1.2 O=C1CN[C@@H](S)S1 T72832 [0,1,0,1,0,0|2,0,0]=4 253 B7R1.2 O=C1C[C@H](S)CN1 39278 [0,1,0,1,0,0|2,0,0]=4 254 B7R1.3 BrC1=CCCNC1 D85784 [0,1,0,1,0,0|2,0,0]=4 255 B7R1.3 C=C1CCCNC1 W15931 [0,1,0,1,0,0|2,0,0]=4 256 B7R1.3 C=C1CCNCC1 33821 [0,1,0,1,0,0|2,0,0]=4 257 B7R1.3 CC1=CCOCC1 F17726 [0,1,0,1,0,0|1,1,0]=4 258 B7R1.3 C[C@H]1CNCCS1 AT10751 [0,1,0,1,0,0|2,0,0]=4 259 B7R1.3 C[C@H]1CNCCS1 AT25278 [0,1,0,1,0,0|2,0,0]=4 260 B7R1.3 C[C@H]1CSCCN1 AT10756 [0,1,0,1,0,0|1,0,1]=4 261 B7R1.3 C[C@H]1CSCCN1 AT10759 [0,1,0,1,0,0|1,0,1]=4 262 B7R1.3 ClC1=CCCCC1 FD10699 [0,1,0,1,0,0|2,0,0]=4 263 B7R1.3 N[C@@H]1C=CCCC1 AB10372 [0,1,0,1,0,0|2,0,0]=4 264 B7R1.3 N[C@@H]1CC=CCC1 AB8978 [0,1,0,1,0,0|2,0,0]=4 265 B7R1.3 O=S1CCOCC1 A51207 [0,1,0,1,0,0|1,1,0]=4 266 B7R1.3 S=C1CCCCC1 N16924 [0,1,0,1,0,0|1,1,0]=4 267 B7R1.4 CC1=C(C)CNC1 AT22666 [0,1,0,1,0,0|2,0,0]=4 268 B7R1.4 C[C@H]1CCNC1=O C74322 [0,1,0,1,0,0|1,0,0]=3 269 B7R1.4 C[C@H]1CNCC1=O F13737 [0,1,0,1,0,0|1,0,0]=3 270 B7R1.4 C[C@H]1COCC1=O AT13358 [0,1,0,1,0,0|0,1,0]=3 271 B7R1.4 N[C@H]1CCOC1=O S11138 [0,1,0,1,0,0|2,0,0]=4 272 B7R1.4 O=C1CCCC1=O AC2232 [0,1,0,1,0,0|1,0,1]=4 273 B7R1.5 C=CC[C@H]1C[C@@H]1O F50023 [0,1,0,1,0,0|2,0,0]=4 274 B7R1.8 N#C[C@H]1CCC1=O 98576 [0,1,0,1,0,0|1,0,1]=4 275 B7R1.10 C=C1CC(C=O)C1 55091 [0,1,0,1,0,0|1,0,0]=3 276 B7R1.10 C=C[C@@H]1CC(=O)N1 AT19037 [0,1,0,1,0,0|1,0,1]=4 277 B7R1.10 CCC1CC(=O)C1 P12513 [0,1,0,1,0,0|1,0,0]=3 278 B7R1.10 CSC1CC(N)C1 AT20164 [0,1,0,1,0,0|1,0,1]=4 279 B7R1.10 NCC1CC(=O)C1 A12025 [0,1,0,1,0,0|2,0,0]=4 280 B7R1.25 CC1(C=O)CCC1 90943 [0,1,0,1,0,0|1,0,0]=3 281 B7R1.25 CC1(CO)CSC1 D75149 [0,1,0,1,0,0|0,0,2]=4 282 B7R1.12 NC(=O)[C@@H]1C[C@@H]1F CS3444 [0,1,0,1,0,0|2,0,0]=4 283 B7R1.12 NC(=O)[C@H]1C[C@@H]1F CS3447 [0,1,0,1,0,0|2,0,0]=4 284 B7R1.18 NC(=O)C1CNC1 E73179 [0,1,0,1,0,0|1,0,0]=3 285 B7R1.18 NC(=O)C1COC1 D86258 [0,1,0,1,0,0|0,1,0]=3 286 B7R1.18 NC(=S)C1CCC1 N12939 [0,1,0,1,0,0|1,1,0]=4 287 B7R1.18 O=[N+]([O-])C1COC1 P16048 [0,1,0,1,0,0|1,1,0]=4 288 B7R1.20 CC(=O)CC1CC1 N12620 [0,1,0,1,0,0|1,0,0]=3 289 B7R1.24 C1=CCCNCC1 C13802 [0,1,0,1,0,0|2,0,0]=4 290 B7R1.24 C1CNCCSC1 W16417 [0,1,0,1,0,0|1,0,1]=4