0 B6R0.6 C#CCCCCN D76652 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.6 C=CCCCC=C T72268 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.6 C=CCSCCN AT25545 [0,0,0,0,0,0|4,0,0]=4 3 B6R0.6 CCNCCSC AT25567 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.6 CCOCCNN AC6859 [0,0,0,0,0,0|4,0,0]=4 5 B6R0.6 CCOCCON AT14482 [0,0,0,0,0,0|4,0,0]=4 6 B6R0.6 CCO\C=C\C=O F18326 [0,0,0,0,0,0|2,0,2]=4 7 B6R0.6 CNCCCC#N AB10346 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.6 CNCCCOC F15969 [0,0,0,0,0,0|2,1,0]=3 9 B6R0.6 COCCCC#N C77649 [0,0,0,0,0,0|1,1,1]=3 10 B6R0.6 COCCCCN C77605 [0,0,0,0,0,0|1,1,1]=3 11 B6R0.6 COCCCON AT14486 [0,0,0,0,0,0|2,1,0]=3 12 B6R0.6 COCCN=C=O D87777 [0,0,0,0,0,0|1,1,1]=3 13 B6R0.6 CSCCN=C=S AT25553 [0,0,0,0,0,0|1,1,1]=3 14 B6R0.6 C\C=C/CCCCl T71143 [0,0,0,0,0,0|2,0,2]=4 15 B6R0.6 N#CCCCCN AC2033 [0,0,0,0,0,0|3,0,1]=4 16 B6R0.6 O=CNCCCO AC9004 [0,0,0,0,0,0|3,0,0]=3 17 B6R0.6 [2H]OCCCCC D99155 [0,0,0,0,0,0|3,0,0]=3 18 B5R0.2 C#CCCOC AC9661 [1,0,0,0,0,0|0,1,2]=4 19 B5R0.2 C#CCNCC AT19974 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.2 C=CCCC#N C16042 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.2 C=CCCON S12259 [1,0,0,0,0,0|1,1,1]=4 22 B5R0.2 CCCC#CI T71796 [1,0,0,0,0,0|1,0,2]=4 23 B5R0.2 CCCCNN AC6660 [1,0,0,0,0,0|2,0,0]=3 24 B5R0.2 CCCCNO AT14838 [1,0,0,0,0,0|1,0,1]=3 25 B5R0.2 CCCNOC AT24927 [1,0,0,0,0,0|1,1,1]=4 26 B5R0.2 CNCCSC D87904 [1,0,0,0,0,0|1,0,1]=3 27 B5R0.2 COCCNN AC7088 [1,0,0,0,0,0|2,1,0]=4 28 B5R0.2 CONCCO AT24903 [1,0,0,0,0,0|1,1,1]=4 29 B5R0.2 C\C=C\CCN AT22492 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.2 N#CCCCN N13271 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.2 NCCCNN W10659 [1,0,0,0,0,0|3,0,0]=4 32 B5R0.2 NCCCNO AT14843 [1,0,0,0,0,0|2,0,1]=4 33 B5R0.2 NNCCCO W10664 [1,0,0,0,0,0|2,0,1]=4 34 B5R0.2 NOCCCO P16653 [1,0,0,0,0,0|1,1,1]=4 35 B5R0.2 [2H]OCCCC D98922 [1,0,0,0,0,0|2,0,0]=3 36 B7R0.1 C#CCOCCNC AT20730 [0,1,0,0,0,0|2,0,1]=4 37 B7R0.1 C=CCCCCCCl I11994 [0,1,0,0,0,0|2,0,0]=3 38 B7R0.1 C=CCCCCCO F14745 [0,1,0,0,0,0|2,0,0]=3 39 B7R0.1 C=CC\C=C\CCC T72633 [0,1,0,0,0,0|2,0,1]=4 40 B7R0.1 CNCCCCCO AT11157 [0,1,0,0,0,0|1,0,2]=4 41 B7R0.1 CNCCCCCO AT11158 [0,1,0,0,0,0|1,0,2]=4 42 B7R0.1 COCCNCCO AT12488 [0,1,0,0,0,0|0,1,2]=4 43 B7R0.1 COCCOCCN F50617 [0,1,0,0,0,0|1,1,1]=4 44 B7R0.1 COCCOCCS AT10124 [0,1,0,0,0,0|0,2,1]=4 45 B7R0.1 C\C=C/CCCCC T72919 [0,1,0,0,0,0|2,0,0]=3 46 B7R0.1 O=CCCCCCCl 24359 [0,1,0,0,0,0|1,0,0]=2 47 B7R0.1 OCCCCCCI AT14272 [0,1,0,0,0,0|1,0,2]=4 48 B7R0.3 CCCC[C@H](N)CO D75114 [0,1,0,0,0,0|1,0,2]=4 49 B7R0.3 CCCC[C@H](N)CO H10583 [0,1,0,0,0,0|1,0,2]=4 50 B7R0.3 CC[C@H](O)CCC#N F51112 [0,1,0,0,0,0|2,0,1]=4 51 B7R0.3 C\C=C\C[C@@H](C)CC T72110 [0,1,0,0,0,0|2,0,1]=4 52 B7R0.4 C#CCNCC(=O)O AT20711 [0,1,0,0,0,0|2,0,1]=4 53 B7R0.4 C#CCOCC(=O)O AT18966 [0,1,0,0,0,0|2,0,1]=4 54 B7R0.4 C#CCOCC(N)=O AT20727 [0,1,0,0,0,0|2,0,1]=4 55 B7R0.4 C#CCSCC(=O)O AT18970 [0,1,0,0,0,0|2,0,1]=4 56 B7R0.4 C=C(C)CC\C=C\C T72820 [0,1,0,0,0,0|2,0,1]=4 57 B7R0.4 C=CCOCC(=O)O D77063 [0,1,0,0,0,0|2,0,1]=4 58 B7R0.4 CC(=O)NCCCN AR2174 [0,1,0,0,0,0|3,0,0]=4 59 B7R0.4 CCCCCC(N)=S W19000 [0,1,0,0,0,0|1,1,0]=3 60 B7R0.4 CCNCCC(N)=O A11725 [0,1,0,0,0,0|2,0,0]=3 61 B7R0.4 CC\C=C/CC(=O)O F18341 [0,1,0,0,0,0|1,0,2]=4 62 B7R0.4 CN(C)CCCCN V10255 [0,1,0,0,0,0|2,0,1]=4 63 B7R0.4 CNCCCC(N)=O AB11605 [0,1,0,0,0,0|1,0,0]=2 64 B7R0.4 CNCCNC(C)=O C77870 [0,1,0,0,0,0|2,0,0]=3 65 B7R0.4 COCCC[N+](=O)[O-] E70181 [0,1,0,0,0,0|1,1,0]=3 66 B7R0.4 COC\C=C\C(=O)O P17072 [0,1,0,0,0,0|0,1,2]=4 67 B7R0.4 C[S@](=O)CCCCN 13216 [0,1,0,0,0,0|1,0,2]=4 68 B7R0.4 NC(=O)CCCCBr AC9465 [0,1,0,0,0,0|2,0,0]=3 69 B7R0.4 NC(=O)CCCCCl AC5718 [0,1,0,0,0,0|2,0,0]=3 70 B7R0.4 NCCCCC(N)=O AC3685 [0,1,0,0,0,0|2,0,0]=3 71 B7R0.4 NCCSCC(=O)O AT25571 [0,1,0,0,0,0|3,0,0]=4 72 B7R0.4 O=C(Cl)COCCCl AT18762 [0,1,0,0,0,0|3,0,0]=4 73 B7R0.7 CCC[C@H](N)CCO N15481 [0,1,0,0,0,0|1,0,2]=4 74 B7R0.7 CCC[C@H](N)CCO N15482 [0,1,0,0,0,0|1,0,2]=4 75 B7R0.7 CCS[C@@H](C)CC=O D86335 [0,1,0,0,0,0|2,0,0]=3 76 B7R0.7 COCC(Br)COC D74902 [0,1,0,0,0,0|2,1,0]=4 77 B7R0.7 COCC(N)COC AT12494 [0,1,0,0,0,0|2,1,0]=4 78 B7R1.1 CCC1CCCC1 T71889 [0,0,0,1,0,0|2,0,1]=4 79 B7R1.1 CC[C@H]1CCCN1 N12693 [0,0,0,1,0,0|2,0,1]=4 80 B7R1.1 CN[C@H]1CCNC1 C14692 [0,0,0,1,0,0|3,0,0]=4 81 B7R1.1 CN[C@H]1CCOC1 P13110 [0,0,0,1,0,0|2,1,0]=4 82 B7R1.1 CN[C@H]1CCOC1 P13111 [0,0,0,1,0,0|2,1,0]=4 83 B7R1.1 CN[C@H]1CCSC1 D72867 [0,0,0,1,0,0|2,0,0]=3 84 B7R1.1 ClC[C@H]1CCOC1 N12624 [0,0,0,1,0,0|1,1,1]=4 85 B7R1.1 N#C[C@H]1CCNC1 P10379 [0,0,0,1,0,0|2,0,1]=4 86 B7R1.1 NC[C@H]1CCOC1 68889 [0,0,0,1,0,0|1,1,1]=4 87 B7R1.1 NN[C@H]1CCOC1 91992 [0,0,0,1,0,0|2,1,0]=4 88 B7R1.1 NN[C@H]1CCOC1 C93321 [0,0,0,1,0,0|2,1,0]=4 89 B7R1.1 NN[C@H]1CCOC1 F15303 [0,0,0,1,0,0|2,1,0]=4 90 B7R1.1 NOC1CCCC1 97656 [0,0,0,1,0,0|3,0,0]=4 91 B7R1.1 ONC1CCCC1 33366 [0,0,0,1,0,0|2,0,1]=4 92 B7R1.1 ONC1CCCC1 33756 [0,0,0,1,0,0|2,0,1]=4 93 B7R1.3 BrC1=CCCNC1 D85784 [0,0,0,1,0,0|2,0,1]=4 94 B7R1.3 Br[C@H]1CCCNC1 C14028 [0,0,0,1,0,0|2,0,1]=4 95 B7R1.3 C=C1CCCNC1 W15931 [0,0,0,1,0,0|2,0,0]=3 96 B7R1.3 C=C1CCNCC1 33821 [0,0,0,1,0,0|3,0,0]=4 97 B7R1.3 C[C@H]1CCCCN1 N14212 [0,0,0,1,0,0|2,0,1]=4 98 B7R1.3 C[C@H]1CCCNC1 F14484 [0,0,0,1,0,0|2,0,1]=4 99 B7R1.3 C[C@H]1CSCCN1 AT10756 [0,0,0,1,0,0|2,0,1]=4 100 B7R1.3 C[C@H]1CSCCN1 AT10759 [0,0,0,1,0,0|2,0,1]=4 101 B7R1.3 ClC1=CCCCC1 FD10699 [0,0,0,1,0,0|2,0,1]=4 102 B7R1.3 N[C@@H]1C=CCCC1 AB10372 [0,0,0,1,0,0|3,0,0]=4 103 B7R1.3 N[C@H]1CCCOC1 F31015 [0,0,0,1,0,0|1,1,1]=4 104 B7R1.3 N[C@H]1CCCOC1 P11042 [0,0,0,1,0,0|1,1,1]=4 105 B7R1.3 O=S1CCOCC1 A51207 [0,0,0,1,0,0|3,0,0]=4 106 B7R1.3 S=C1CCCCC1 N16924 [0,0,0,1,0,0|1,1,0]=3 107 B7R1.4 CC1=C(C)CNC1 AT22666 [0,0,0,1,0,0|3,0,0]=4 108 B7R1.4 C[C@@H]1CCC[C@@H]1N 97379 [0,0,0,1,0,0|2,0,1]=4 109 B7R1.4 C[C@H]1CCNC1=O C74322 [0,0,0,1,0,0|2,0,0]=3 110 B7R1.4 C[C@H]1CNCC1=O F13737 [0,0,0,1,0,0|2,0,0]=3 111 B7R1.4 C[C@H]1COCC1=O AT13358 [0,0,0,1,0,0|2,0,0]=3 112 B7R1.4 N[C@H]1CCOC1=O S11138 [0,0,0,1,0,0|3,0,0]=4 113 B7R1.4 O=C1CCCC1=O AC2232 [0,0,0,1,0,0|2,0,0]=3 114 B7R1.5 C=CC[C@H]1C[C@@H]1O F50023 [0,0,0,1,0,0|3,0,0]=4 115 B7R1.6 ICCC1COC1 AC4775 [0,0,0,1,0,0|1,1,1]=4 116 B7R1.6 N#CCC1CNC1 P11732 [0,0,0,1,0,0|2,0,1]=4 117 B7R1.6 NNCC1CCC1 D87549 [0,0,0,1,0,0|3,0,0]=4 118 B7R1.8 CN1CC[C@@H]1CN P13167 [0,0,0,1,0,0|2,0,1]=4 119 B7R1.8 CN1CC[C@@H]1CN P13169 [0,0,0,1,0,0|2,0,1]=4 120 B7R1.8 CN1CC[C@@H]1CN P15774 [0,0,0,1,0,0|2,0,1]=4 121 B7R1.8 CN1CC[C@@H]1CN P15856 [0,0,0,1,0,0|2,0,1]=4 122 B7R1.8 N#C[C@H]1CCC1=O 98576 [0,0,0,1,0,0|2,0,0]=3 123 B7R1.24 C1=CCCNCC1 C13802 [0,0,0,1,0,0|2,0,1]=4 124 B7R1.24 C1CCCNCC1 D77224 [0,0,0,1,0,0|2,0,1]=4 125 B7R1.24 C1CCNNCC1 AB9014 [0,0,0,1,0,0|3,0,0]=4 126 B7R1.24 C1CNCCSC1 W16417 [0,0,0,1,0,0|2,0,0]=3 127 B4R0.2 C#CCSC AT19944 [2,0,0,0,0,0|0,0,2]=4 128 B4R0.2 C=C=CCC T72673 [2,0,0,0,0,0|0,0,2]=4 129 B4R0.2 C=CCCI C77576 [2,0,0,0,0,0|1,0,1]=4 130 B4R0.2 C=CCCN AT25938 [2,0,0,0,0,0|1,0,1]=4 131 B4R0.2 CCNCC T70517 [2,0,0,0,0,0|1,0,1]=4 132 B4R0.2 CC\C=C\Br F11593 [2,0,0,0,0,0|1,0,1]=4 133 B4R0.2 CNCCS AT25552 [2,0,0,0,0,0|1,0,1]=4 134 B4R0.2 COCCS AT13674 [2,0,0,0,0,0|0,2,0]=4 135 B4R0.2 NCCCI AC8002 [2,0,0,0,0,0|2,0,0]=4 136 B4R0.2 NCCCN T70141 [2,0,0,0,0,0|2,0,0]=4 137 B4R0.2 NCCCN T70477 [2,0,0,0,0,0|2,0,0]=4 138 B4R0.2 [2H]OCCC D99167 [2,0,0,0,0,0|1,1,0]=4 139 B6R0.1 C=CC[C@H](N)CO N11070 [1,1,0,0,0,0|1,1,0]=4 140 B6R0.1 C=CC[C@H](N)CO N11385 [1,1,0,0,0,0|1,1,0]=4 141 B6R0.1 C=CC[C@H](N)CO N15485 [1,1,0,0,0,0|1,1,0]=4 142 B6R0.1 C=CC[C@H](O)CN AT10905 [1,1,0,0,0,0|2,0,0]=4 143 B6R0.1 C=C[C@@H](C)CCC T72328 [1,1,0,0,0,0|1,0,0]=3 144 B6R0.1 CCC[C@H](C)CBr S11885 [1,1,0,0,0,0|1,0,1]=4 145 B6R0.1 CC[C@H](N)CCO AT22371 [1,1,0,0,0,0|0,0,2]=4 146 B6R0.1 CC[C@H](N)COC D87652 [1,1,0,0,0,0|0,1,1]=4 147 B6R0.1 CC[C@H](N)COC D87653 [1,1,0,0,0,0|0,1,1]=4 148 B6R0.1 CC[C@H](O)CC#N A50899 [1,1,0,0,0,0|1,0,1]=4 149 B6R0.1 CNC[C@@H](C)CN T70175 [1,1,0,0,0,0|2,0,0]=4 150 B6R0.1 CNC[C@H](O)CO 56523 [1,1,0,0,0,0|1,0,1]=4 151 B6R0.1 CNC[C@H](O)CO 56531 [1,1,0,0,0,0|1,0,1]=4 152 B6R0.1 COC[C@@H](C)CO O10176 [1,1,0,0,0,0|0,1,1]=4 153 B6R0.1 COC[C@@H](N)CO 91276 [1,1,0,0,0,0|0,1,1]=4 154 B6R0.1 COC[C@@H](N)CO 91277 [1,1,0,0,0,0|0,1,1]=4 155 B6R0.1 COC[C@@H](N)CO C90595 [1,1,0,0,0,0|0,1,1]=4 156 B6R0.1 COC[C@@H](O)CN 94766 [1,1,0,0,0,0|1,1,0]=4 157 B6R0.1 COC[C@@H](O)CN 98632 [1,1,0,0,0,0|1,1,0]=4 158 B6R0.1 CSC[C@@H](N)CO 96818 [1,1,0,0,0,0|0,0,1]=3 159 B6R0.1 CSC[C@@H](N)CO 96819 [1,1,0,0,0,0|0,0,1]=3 160 B6R0.4 C=C(C)CCCO 71061 [1,1,0,0,0,0|1,0,1]=4 161 B6R0.4 CC#CCC(=O)O AT21835 [1,1,0,0,0,0|0,0,2]=4 162 B6R0.4 CC(C)CCNN AC3937 [1,1,0,0,0,0|2,0,0]=4 163 B6R0.4 CCCNC(=S)[S-] I11294 [1,1,0,0,0,0|1,1,0]=4 164 B6R0.4 CCNCC(=O)O T72729 [1,1,0,0,0,0|1,0,0]=3 165 B6R0.4 CCONC(C)=O AT24904 [1,1,0,0,0,0|2,0,0]=4 166 B6R0.4 CNCCC(N)=O C78256 [1,1,0,0,0,0|1,0,0]=3 167 B6R0.4 COCOC(C)=O D72003 [1,1,0,0,0,0|1,1,0]=4 168 B6R0.4 C[C@H](N)CCCO AT20758 [1,1,0,0,0,0|0,0,2]=4 169 B6R0.4 C[C@H](O)CCC#N F51113 [1,1,0,0,0,0|1,0,1]=4 170 B6R0.4 C[C@H](O)CCCBr A11305 [1,1,0,0,0,0|1,0,1]=4 171 B6R0.4 C[C@H](O)CCCN AT20756 [1,1,0,0,0,0|1,0,1]=4 172 B6R0.4 NC(=O)CCCO AT20755 [1,1,0,0,0,0|0,1,0]=3 173 B6R0.4 NCCCC(=O)O T70552 [1,1,0,0,0,0|1,0,0]=3 174 B6R0.4 NCCCC(N)=O AC5898 [1,1,0,0,0,0|1,0,0]=3 175 B6R0.4 NOCCC(=O)O AT14539 [1,1,0,0,0,0|1,1,0]=4 176 B6R0.4 O=C(Cl)OCCF AT25498 [1,1,0,0,0,0|2,0,0]=4 177 B6R0.4 O=[N+]([O-])CCCO A12344 [1,1,0,0,0,0|1,1,0]=4 178 B6R0.4 [2H][C@H](Br)CCCC D99408 [1,1,0,0,0,0|1,0,1]=4 179 B8R0.4 C=CCCNCCOC E72576 [0,2,0,0,0,0|1,1,0]=4 180 B8R0.7 CC(=O)NCCCCN S12336 [0,2,0,0,0,0|2,0,0]=4 181 B8R0.7 CCCCC#CC(=O)O T71801 [0,2,0,0,0,0|1,0,1]=4 182 B8R0.7 CCCCNCC(=O)O D87235 [0,2,0,0,0,0|1,0,0]=3 183 B8R0.7 CNCCCNC(C)=O C78307 [0,2,0,0,0,0|1,0,0]=3 184 B8R0.7 NC(=O)CCCCCO AC6170 [0,2,0,0,0,0|1,0,0]=3 185 B8R0.7 O=C(O)CCOCCBr C70446 [0,2,0,0,0,0|2,0,0]=4 186 B8R0.7 O=C(O)CCOCCO C70447 [0,2,0,0,0,0|2,0,0]=4 187 B8R0.7 O=CNCCCC(=O)O AB3831 [0,2,0,0,0,0|1,0,1]=4 188 B8R0.8 C=CCC[C@H](N)C(=O)O AT23573 [0,2,0,0,0,0|1,0,1]=4 189 B8R0.8 C=CCC[C@H](N)C(=O)O AT23574 [0,2,0,0,0,0|1,0,1]=4 190 B8R0.8 CC#CC[C@H](N)C(=O)O C15512 [0,2,0,0,0,0|1,0,1]=4 191 B8R0.8 CCCC[C@H](N)C(N)=O S11604 [0,2,0,0,0,0|1,0,0]=3 192 B8R0.8 CCOC[C@H](N)C(=O)O AT12801 [0,2,0,0,0,0|2,0,0]=4 193 B8R0.5 C=CC[C@H](N)CC(=O)O 77811 [0,2,0,0,0,0|1,0,1]=4 194 B8R0.5 CCC[C@H](C)OC(C)=O 73904 [0,2,0,0,0,0|2,0,0]=4 195 B8R0.5 CCC[C@H](N)CC(=O)O N15479 [0,2,0,0,0,0|1,0,0]=3 196 B8R0.5 CCC[C@H](N)CC(=O)O N15480 [0,2,0,0,0,0|1,0,0]=3 197 B8R0.21 CC(C)(C)OCCC=O AT13970 [0,2,0,0,0,0|2,0,0]=4 198 B8R0.21 COCCCS(=O)(=O)O AC6285 [0,2,0,0,0,0|1,1,0]=4 199 B8R0.21 COCCCS(N)(=O)=O AT20611 [0,2,0,0,0,0|1,1,0]=4 200 B8R0.28 C=C(C)CCCC(C)C T70747 [0,2,0,0,0,0|2,0,0]=4 201 B8R0.28 CC(=O)CCCC(C)=O AC9369 [0,2,0,0,0,0|1,0,0]=3 202 B8R0.28 CC(=O)CCCN(C)C AC6136 [0,2,0,0,0,0|1,0,0]=3 203 B8R0.28 CC(C)CCOC(=O)Cl AC2336 [0,2,0,0,0,0|2,0,0]=4 204 B8R0.28 CN(C)CCCC(=O)O A11102 [0,2,0,0,0,0|1,0,0]=3 205 B8R0.22 COC(CSC)CSC T70761 [0,2,0,0,0,0|2,0,0]=4 206 B6R1.1 C1CCNCC1 S11730 [1,0,0,1,0,0|1,0,1]=4 207 B6R1.1 C1CCONC1 P10408 [1,0,0,1,0,0|1,0,1]=4 208 B6R1.1 C1CNCOC1 C72764 [1,0,0,1,0,0|1,0,1]=4 209 B6R1.2 C[C@H]1CCNC1 71655 [1,0,0,1,0,0|1,0,1]=4 210 B6R1.2 FC1CCCC1 T71800 [1,0,0,1,0,0|1,0,1]=4 211 B6R1.2 F[C@H]1CCNC1 FD10498 [1,0,0,1,0,0|2,0,0]=4 212 B6R1.2 O=C1CCON1 A11072 [1,0,0,1,0,0|1,1,0]=4 213 B6R1.2 O=C1CNCN1 C15062 [1,0,0,1,0,0|2,0,0]=4 214 B6R1.3 O=C=NC1CC1 AC8066 [1,0,0,1,0,0|1,0,1]=4 215 B6R1.4 CC1CCC1N W15200 [1,0,0,1,0,0|1,0,1]=4 216 B6R1.6 N#CC1CSC1 56781 [1,0,0,1,0,0|1,0,1]=4 217 B6R1.6 NOC1CCC1 97653 [1,0,0,1,0,0|2,0,0]=4 218 B6R1.8 CC1CC1C#N C77546 [1,0,0,1,0,0|1,0,1]=4 219 B6R1.8 CC1CC1CBr P20770 [1,0,0,1,0,0|1,0,1]=4 220 B6R1.8 CC[C@H]1C[C@@H]1N AT11453 [1,0,0,1,0,0|1,0,1]=4 221 B6R1.8 CC[C@H]1C[C@@H]1N AT11457 [1,0,0,1,0,0|1,0,1]=4 222 B6R1.8 C[C@@H]1C[C@@H]1CBr 55223 [1,0,0,1,0,0|1,0,1]=4 223 B8R1.2 CNC1CCSCC1 AT10410 [0,1,0,1,0,0|2,0,0]=4 224 B8R1.2 CO[C@@H]1C=CCCC1 D91600 [0,1,0,1,0,0|1,1,0]=4 225 B8R1.2 CSC1CCNCC1 32247 [0,1,0,1,0,0|1,0,1]=4 226 B8R1.2 CSC1CCNCC1 P10626 [0,1,0,1,0,0|1,0,1]=4 227 B8R1.2 O=CC1CCNCC1 62056 [0,1,0,1,0,0|1,0,0]=3 228 B8R1.5 C=C1CCCNC1=O D80229 [0,1,0,1,0,0|1,0,1]=4 229 B8R1.5 CN1CCCCC1=O C16744 [0,1,0,1,0,0|1,0,0]=3 230 B8R1.5 CN1CCSCC1=O AT12016 [0,1,0,1,0,0|1,0,0]=3 231 B8R1.5 C[C@H]1CCNCC1=O P13522 [0,1,0,1,0,0|1,0,0]=3 232 B8R1.5 C[C@H]1CCOCC1=O F53480 [0,1,0,1,0,0|0,1,0]=3 233 B8R1.5 N[C@H]1CCCNC1=O 51548 [0,1,0,1,0,0|2,0,0]=4 234 B8R1.5 O=C1CCCC=C1I 62778 [0,1,0,1,0,0|1,0,1]=4 235 B8R1.5 O=C1CCNC[C@@H]1Br F13559 [0,1,0,1,0,0|2,0,0]=4 236 B8R1.5 O=C1CCNC[C@@H]1Br F13560 [0,1,0,1,0,0|2,0,0]=4 237 B8R1.5 O=C1CCNC[C@@H]1F P11685 [0,1,0,1,0,0|2,0,0]=4 238 B8R1.8 C=CC[C@H]1CCCN1 N15483 [0,1,0,1,0,0|2,0,0]=4 239 B8R1.8 O=CCN1CCCC1 AC9721 [0,1,0,1,0,0|1,0,0]=3 240 B8R1.11 CC[C@H]1CCNC1=O AT18851 [0,1,0,1,0,0|1,0,0]=3 241 B8R1.11 CO[C@H]1CCCC1=O AT25997 [0,1,0,1,0,0|0,1,0]=3 242 B8R1.1 CC[C@@H]1CNC(=O)C1 P10810 [0,1,0,1,0,0|2,0,0]=4 243 B8R1.1 CC[C@H]1CCC(=O)C1 W18649 [0,1,0,1,0,0|1,0,0]=3 244 B8R1.1 CC[C@H]1CCC(=O)N1 D72846 [0,1,0,1,0,0|1,0,0]=3 245 B8R1.1 CC[C@H]1COC(=O)N1 W10319 [0,1,0,1,0,0|2,0,0]=4 246 B8R1.1 CN[C@@H]1COC(=O)C1 P12585 [0,1,0,1,0,0|2,0,0]=4 247 B8R1.1 O=C1CC[C@H](CBr)O1 C12574 [0,1,0,1,0,0|2,0,0]=4 248 B8R1.1 O=C1CC[C@H](CI)N1 AT14276 [0,1,0,1,0,0|2,0,0]=4 249 B8R1.1 O=C1CC[C@H](CO)C1 D97067 [0,1,0,1,0,0|2,0,0]=4 250 B8R1.3 C=C1CCC(=O)CC1 57377 [0,1,0,1,0,0|1,0,1]=4 251 B8R1.3 C[C@H]1CNC(=O)CO1 AT13719 [0,1,0,1,0,0|1,1,0]=4 252 B8R1.3 C[C@H]1CNC(=O)CO1 AT13722 [0,1,0,1,0,0|1,1,0]=4 253 B8R1.3 N[C@H]1CCC(=O)NC1 70845 [0,1,0,1,0,0|2,0,0]=4 254 B8R1.3 O=C1CCC(Br)CC1 C77503 [0,1,0,1,0,0|1,0,0]=3 255 B8R1.50 CC1C(=O)NCC1O 94942 [0,1,0,1,0,0|2,0,0]=4 256 B8R1.50 CC1CCC(C)C1=O F12414 [0,1,0,1,0,0|1,0,0]=3 257 B8R1.50 CN1CC[C@H](N)C1=O D97088 [0,1,0,1,0,0|1,0,0]=3 258 B8R1.50 CN1CC[C@H](O)C1=O AT18763 [0,1,0,1,0,0|1,0,0]=3 259 B8R1.50 N[C@H]1CCN(O)C1=O 51422 [0,1,0,1,0,0|2,0,0]=4 260 B8R1.52 N[C@@]1(CO)CCSC1 AT23900 [0,1,0,1,0,0|0,0,2]=4 261 B8R1.4 CN1CCCC(=O)C1 C14007 [0,1,0,1,0,0|1,0,0]=3 262 B8R1.4 C[C@H]1CC(=O)CCN1 W10112 [0,1,0,1,0,0|2,0,0]=4 263 B8R1.4 C[C@H]1CCCC(=O)C1 90784 [0,1,0,1,0,0|1,0,0]=3 264 B8R1.4 C[C@H]1CCCC(=O)N1 90463 [0,1,0,1,0,0|1,0,0]=3 265 B8R1.4 C[C@H]1CNCC(=O)N1 P13905 [0,1,0,1,0,0|2,0,0]=4 266 B8R1.4 N[C@@H]1COCC(=O)C1 F51972 [0,1,0,1,0,0|0,1,0]=3 267 B8R1.4 O=C1C=C(Cl)CCC1 D86029 [0,1,0,1,0,0|1,0,1]=4 268 B8R1.4 O=C1CCC[C@H](O)C1 P16037 [0,1,0,1,0,0|1,0,0]=3 269 B8R1.4 O=C1CSCC(=O)N1 AT12015 [0,1,0,1,0,0|1,0,1]=4 270 B8R1.4 O=C1C[C@@H](F)CCN1 P19310 [0,1,0,1,0,0|2,0,0]=4 271 B8R1.7 CC(=O)[C@@H]1CCCN1 F13089 [0,1,0,1,0,0|2,0,0]=4 272 B8R1.7 CC(=O)[C@@H]1CCCO1 74204 [0,1,0,1,0,0|2,0,0]=4 273 B8R1.7 CC(=O)[C@H]1CCNC1 78818 [0,1,0,1,0,0|1,0,0]=3 274 B8R1.7 N=C(N)C1CCCC1 71790 [0,1,0,1,0,0|2,0,0]=4 275 B8R1.7 NC(=O)[C@H]1CCNC1 P11232 [0,1,0,1,0,0|1,0,0]=3 276 B8R1.7 NC(=S)C1CCCC1 N13298 [0,1,0,1,0,0|1,1,0]=4 277 B8R1.7 O=C(Cl)[C@H]1CCOC1 A12769 [0,1,0,1,0,0|0,1,0]=3 278 B8R1.7 O=C(O)[C@@H]1CCCS1 98590 [0,1,0,1,0,0|2,0,0]=4 279 B8R1.7 O=C(O)[C@@H]1CCCS1 98591 [0,1,0,1,0,0|2,0,0]=4 280 B8R1.7 O=C(O)[C@@H]1CCNO1 AT14856 [0,1,0,1,0,0|2,0,0]=4 281 B8R1.31 C[C@H]1NC[C@@H]1C(=O)O P18148 [0,1,0,1,0,0|2,0,0]=4 282 B8R1.34 CC(=O)NC1CNC1 33732 [0,1,0,1,0,0|2,0,0]=4 283 B8R1.34 CC(=O)SC1CNC1 P12390 [0,1,0,1,0,0|2,0,0]=4 284 B8R1.34 NC(=O)NC1CNC1 AT23009 [0,1,0,1,0,0|2,0,0]=4 285 B8R1.34 NC(=O)OC1CNC1 AT23010 [0,1,0,1,0,0|2,0,0]=4 286 B8R1.34 O=C(Cl)CC1CCC1 AT23645 [0,1,0,1,0,0|1,0,0]=3 287 B8R1.34 O=C(O)CC1CNC1 A50755 [0,1,0,1,0,0|1,0,0]=3 288 B8R1.34 O=C(O)CC1CNC1 P10897 [0,1,0,1,0,0|1,0,0]=3 289 B8R1.35 O=C(Cl)OCC1CC1 C77515 [0,1,0,1,0,0|2,0,0]=4 290 B8R1.43 CCC1CC1C(=O)O AT12378 [0,1,0,1,0,0|1,0,0]=3 291 B8R1.72 N=S1(=O)CCCCC1 AT11345 [0,1,0,1,0,0|2,0,0]=4 292 B8R1.18 CN1C[C@@H](I)CC1=O D79270 [0,1,0,1,0,0|1,0,0]=3 293 B8R1.18 CN1C[C@@H](N)CC1=O AT19106 [0,1,0,1,0,0|1,0,0]=3 294 B8R1.18 C[C@H]1CC(=O)N(C)C1 F18257 [0,1,0,1,0,0|1,0,0]=3 295 B8R1.66 C=CCC1(O)COC1 69113 [0,1,0,1,0,0|1,1,0]=4 296 B8R1.66 CC1(CC=O)CCC1 P20317 [0,1,0,1,0,0|1,0,0]=3 297 B8R2.34 C1=CC2CC1CN2 F13786 [0,0,0,2,0,0|2,0,0]=4 298 B8R2.34 C1=C[C@@H]2CN[C@H]1C2 83547 [0,0,0,2,0,0|2,0,0]=4 299 B8R2.34 C1=C[C@@H]2CN[C@H]1C2 83549 [0,0,0,2,0,0|2,0,0]=4 300 B8R2.38 O=C1CC[C@@H]2C[C@H]12 97893 [0,0,0,2,0,0|1,0,0]=3 301 B8R2.38 O=C1NC[C@@H]2C[C@H]12 H11212 [0,0,0,2,0,0|2,0,0]=4