0 B7R1.3 BrC1=CCCNC1 D97153 [0,0,0,0,0,0|3,0,1]=4 1 B7R1.3 BrC1=CCOCC1 C90119 [0,0,0,0,0,0|3,0,1]=4 2 B7R1.3 C=C1CCNCC1 88914 [0,0,0,0,0,0|2,0,2]=4 3 B7R1.3 C=C1CCOCC1 84295 [0,0,0,0,0,0|2,0,2]=4 4 B7R1.3 CC1=CCNCC1 A11257 [0,0,0,0,0,0|2,0,1]=3 5 B7R1.3 C[C@H]1CCCCN1 C73894 [0,0,0,0,0,0|0,0,0]=0 6 B7R1.3 C[C@H]1CCCNC1 36405 [0,0,0,0,0,0|2,0,0]=2 7 B7R1.3 C[C@H]1CNCCO1 24564 [0,0,0,0,0,0|2,0,0]=2 8 B7R1.3 C[C@H]1CNCCO1 27729 [0,0,0,0,0,0|2,0,0]=2 9 B7R1.3 C[C@H]1CNCCO1 F13460 [0,0,0,0,0,0|2,0,0]=2 10 B7R1.3 C[C@H]1CNCCO1 P11013 [0,0,0,0,0,0|2,0,0]=2 11 B7R1.3 C[C@H]1COCCN1 72593 [0,0,0,0,0,0|1,0,0]=1 12 B7R1.3 FC1=CCNCC1 P20375 [0,0,0,0,0,0|3,0,1]=4 13 B7R1.3 F[C@H]1CCCNC1 37161 [0,0,0,0,0,0|3,0,0]=3 14 B7R1.3 F[C@H]1CCCNC1 37162 [0,0,0,0,0,0|3,0,0]=3 15 B7R1.3 NC1=NCCCN1 AC1271 [0,0,0,0,0,0|2,0,1]=3 16 B7R1.3 N[C@@H]1C=CCCC1 D84435 [0,0,0,0,0,0|2,0,1]=3 17 B7R1.3 N[C@H]1CCCNC1 C72133 [0,0,0,0,0,0|3,0,0]=3 18 B7R1.3 N[C@H]1CCCOC1 F10442 [0,0,0,0,0,0|3,0,0]=3 19 B7R1.3 O=C1C=CCCN1 88830 [0,0,0,0,0,0|1,0,3]=4 20 B7R1.3 O=C1CCCCS1 D95162 [0,0,0,0,0,0|2,0,1]=3 21 B7R1.3 O=C1CNCCO1 RB3226 [0,0,0,0,0,0|3,0,1]=4 22 B7R1.3 O=C1CSCCN1 23643 [0,0,0,0,0,0|2,0,1]=3 23 B7R1.3 O[C@@H]1C=CCNC1 S11183 [0,0,0,0,0,0|3,0,1]=4 24 B7R1.3 O[C@@H]1CNCCO1 26254 [0,0,0,0,0,0|3,0,0]=3 25 B7R1.3 O[C@H]1CCCOC1 P10754 [0,0,0,0,0,0|3,0,0]=3 26 B7R1.3 O[C@H]1CCCOC1 P10755 [0,0,0,0,0,0|3,0,0]=3 27 B7R1.3 SC1CCNCC1 39018 [0,0,0,0,0,0|3,0,0]=3 28 B7R1.3 SC1CCOCC1 AT12453 [0,0,0,0,0,0|3,0,0]=3 29 B7R1.3 S[C@H]1CCCNC1 P11853 [0,0,0,0,0,0|3,0,0]=3 30 B6R1.1 C1CCNNC1 71659 [1,0,0,0,0,0|1,0,0]=2 31 B8R1.2 BrCC1=CCCCC1 37274 [0,1,0,0,0,0|1,0,1]=3 32 B8R1.2 BrC[C@H]1CCCNC1 AC3913 [0,1,0,0,0,0|2,0,0]=3 33 B8R1.2 BrC[C@H]1CCCOC1 38662 [0,1,0,0,0,0|2,0,0]=3 34 B8R1.2 C#CC1CCNCC1 P12507 [0,1,0,0,0,0|2,0,1]=4 35 B8R1.2 C#CC1CCOCC1 37550 [0,1,0,0,0,0|2,0,1]=4 36 B8R1.2 C#C[C@@H]1CCCCN1 CS2055 [0,1,0,0,0,0|0,0,1]=2 37 B8R1.2 C#C[C@H]1CCCNC1 P11150 [0,1,0,0,0,0|2,0,1]=4 38 B8R1.2 C#C[C@H]1CCCNC1 P11485 [0,1,0,0,0,0|2,0,1]=4 39 B8R1.2 CCC1CCNCC1 W10090 [0,1,0,0,0,0|2,0,0]=3 40 B8R1.2 CC[C@H]1CCCCN1 Y10457 [0,1,0,0,0,0|0,0,0]=1 41 B8R1.2 CC[C@H]1CNCCN1 28366 [0,1,0,0,0,0|1,0,0]=2 42 B8R1.2 CC[C@H]1CNCCN1 I11833 [0,1,0,0,0,0|1,0,0]=2 43 B8R1.2 CC[C@H]1COCCN1 F17630 [0,1,0,0,0,0|1,0,0]=2 44 B8R1.2 CC[C@H]1COCCN1 FD6008 [0,1,0,0,0,0|1,0,0]=2 45 B8R1.2 CNC1CCNCC1 Y10435 [0,1,0,0,0,0|2,0,0]=3 46 B8R1.2 CNC1CCSCC1 D93432 [0,1,0,0,0,0|2,0,0]=3 47 B8R1.2 COC1=NCCCC1 D87703 [0,1,0,0,0,0|0,0,2]=3 48 B8R1.2 ClCC1CCNCC1 P17439 [0,1,0,0,0,0|2,0,0]=3 49 B8R1.2 ClCC1CCOCC1 C77585 [0,1,0,0,0,0|2,0,0]=3 50 B8R1.2 ClC[C@H]1CCCCN1 87776 [0,1,0,0,0,0|0,0,0]=1 51 B8R1.2 FCC1CCNCC1 F10330 [0,1,0,0,0,0|2,0,0]=3 52 B8R1.2 FC[C@H]1CCCNC1 24250 [0,1,0,0,0,0|2,0,0]=3 53 B8R1.2 ICC1CCCCC1 AC1131 [0,1,0,0,0,0|1,0,0]=2 54 B8R1.2 IC[C@H]1CCCCO1 P19885 [0,1,0,0,0,0|1,0,0]=2 55 B8R1.2 IC[C@H]1CCCOC1 P20725 [0,1,0,0,0,0|2,0,0]=3 56 B8R1.2 N#CC1CCSCC1 29706 [0,1,0,0,0,0|2,0,1]=4 57 B8R1.2 N#CN1CCCCC1 A12086 [0,1,0,0,0,0|2,0,1]=4 58 B8R1.2 N#C[C@@H]1CCCCN1 CS1001 [0,1,0,0,0,0|0,0,1]=2 59 B8R1.2 N#C[C@@H]1CCCCN1 P16178 [0,1,0,0,0,0|0,0,1]=2 60 B8R1.2 N#C[C@@H]1CCCCN1 P17459 [0,1,0,0,0,0|0,0,1]=2 61 B8R1.2 N#C[C@@H]1CCCCN1 P17460 [0,1,0,0,0,0|0,0,1]=2 62 B8R1.2 N#C[C@@H]1CCCCO1 W16123 [0,1,0,0,0,0|1,0,1]=3 63 B8R1.2 N#C[C@@H]1CNCCO1 90459 [0,1,0,0,0,0|2,0,1]=4 64 B8R1.2 N#C[C@@H]1CNCCO1 F18970 [0,1,0,0,0,0|2,0,1]=4 65 B8R1.2 N#C[C@@H]1CNCCO1 F18991 [0,1,0,0,0,0|2,0,1]=4 66 B8R1.2 N#C[C@@H]1COCCN1 F17609 [0,1,0,0,0,0|1,0,1]=3 67 B8R1.2 N#C[C@H]1CCCNC1 81492 [0,1,0,0,0,0|2,0,1]=4 68 B8R1.2 N#C[C@H]1CCCNC1 81537 [0,1,0,0,0,0|2,0,1]=4 69 B8R1.2 N#C[C@H]1CCCNC1 P11046 [0,1,0,0,0,0|2,0,1]=4 70 B8R1.2 N#C[C@H]1CCCNC1 P18961 [0,1,0,0,0,0|2,0,1]=4 71 B8R1.2 NCC1CCSCC1 P11855 [0,1,0,0,0,0|2,0,0]=3 72 B8R1.2 NCC1CCSCC1 P17457 [0,1,0,0,0,0|2,0,0]=3 73 B8R1.2 NC[C@H]1CCCOC1 SC1491 [0,1,0,0,0,0|2,0,0]=3 74 B8R1.2 NC[C@H]1COCCO1 39092 [0,1,0,0,0,0|2,0,0]=3 75 B8R1.2 NC[C@H]1COCCO1 39093 [0,1,0,0,0,0|2,0,0]=3 76 B8R1.2 NNC1CCNCC1 BL010349 [0,1,0,0,0,0|3,0,0]=4 77 B8R1.2 NNC1CCOCC1 F51905 [0,1,0,0,0,0|3,0,0]=4 78 B8R1.2 NNC1CCSCC1 BL010348 [0,1,0,0,0,0|3,0,0]=4 79 B8R1.2 NN[C@H]1CCCOC1 P17922 [0,1,0,0,0,0|3,0,0]=4 80 B8R1.2 O=CN1CCCCC1 D77795 [0,1,0,0,0,0|2,0,1]=4 81 B8R1.2 O=C[C@@H]1CCCCN1 62054 [0,1,0,0,0,0|0,0,1]=2 82 B8R1.2 O=C[C@@H]1CCCCO1 79885 [0,1,0,0,0,0|1,0,1]=3 83 B8R1.2 O=C[C@@H]1COCCO1 D78647 [0,1,0,0,0,0|2,0,1]=4 84 B8R1.2 O=C[C@H]1CCCOC1 79874 [0,1,0,0,0,0|2,0,1]=4 85 B8R1.2 OC[C@H]1CCCNC1 36372 [0,1,0,0,0,0|2,0,0]=3 86 B8R1.2 OC[C@H]1CCCNC1 F14592 [0,1,0,0,0,0|2,0,0]=3 87 B8R1.2 OC[C@H]1CCCNC1 H10949 [0,1,0,0,0,0|2,0,0]=3 88 B8R1.2 OC[C@H]1CCCOC1 38674 [0,1,0,0,0,0|2,0,0]=3 89 B8R1.2 OC[C@H]1CNCCN1 C14871 [0,1,0,0,0,0|1,0,0]=2 90 B8R1.2 OC[C@H]1CNCCN1 I11571 [0,1,0,0,0,0|1,0,0]=2 91 B8R1.2 OC[C@H]1CNCCO1 25692 [0,1,0,0,0,0|2,0,0]=3 92 B8R1.2 OC[C@H]1CNCCO1 SC3851 [0,1,0,0,0,0|2,0,0]=3 93 B8R1.2 OC[C@H]1COCCN1 25689 [0,1,0,0,0,0|1,0,0]=2 94 B8R1.2 OC[C@H]1COCCN1 26203 [0,1,0,0,0,0|1,0,0]=2 95 B8R1.2 OC[C@H]1COCCN1 P15853 [0,1,0,0,0,0|1,0,0]=2 96 B8R1.2 OC[C@H]1COCCO1 Y10090 [0,1,0,0,0,0|2,0,0]=3 97 B8R1.2 OC[C@H]1COCCO1 Y10091 [0,1,0,0,0,0|2,0,0]=3 98 B8R1.2 [C-]#[N+]C1CCOCC1 AC9405 [0,1,0,0,0,0|2,0,1]=4 99 B8R1.3 CC1CCC(O)CC1 D73186 [0,1,0,0,0,0|1,0,0]=2 100 B8R1.3 C[C@@H]1C=CC(=O)CC1 P17313 [0,1,0,0,0,0|1,0,2]=4 101 B8R1.3 C[C@H]1CCC(=O)NC1 P11593 [0,1,0,0,0,0|1,0,1]=3 102 B8R1.3 C[C@H]1CC[C@H](O)CC1 A12839 [0,1,0,0,0,0|1,0,0]=2 103 B8R1.3 C[C@H]1CNC(=O)CN1 P15845 [0,1,0,0,0,0|1,0,1]=3 104 B8R1.3 C[C@H]1CNC(=O)CN1 P17730 [0,1,0,0,0,0|1,0,1]=3 105 B8R1.3 C[C@H]1CNC(=O)CN1 P18573 [0,1,0,0,0,0|1,0,1]=3 106 B8R1.3 C[C@H]1CNC(=O)CO1 AC2156 [0,1,0,0,0,0|2,0,1]=4 107 B8R1.3 C[C@H]1CN[C@@H](C)CN1 38272 [0,1,0,0,0,0|1,0,0]=2 108 B8R1.3 C[C@H]1CN[C@@H](C)CN1 W12505 [0,1,0,0,0,0|1,0,0]=2 109 B8R1.3 C[C@H]1CO[C@@H](C)CN1 C15026 [0,1,0,0,0,0|1,0,0]=2 110 B8R1.3 Cl[C@H]1CC[C@H](Cl)CC1 T70403 [0,1,0,0,0,0|2,0,0]=3 111 B8R1.3 NC1CCC(Br)CC1 FD10595 [0,1,0,0,0,0|2,0,0]=3 112 B8R1.3 N[C@H]1CCC(=O)NC1 37582 [0,1,0,0,0,0|1,0,1]=3 113 B8R1.3 N[C@H]1CCC(=O)NC1 D95207 [0,1,0,0,0,0|1,0,1]=3 114 B8R1.3 N[C@H]1CCC(=O)NC1 P10248 [0,1,0,0,0,0|1,0,1]=3 115 B8R1.3 N[C@H]1CC[C@@H](F)CC1 72603 [0,1,0,0,0,0|2,0,0]=3 116 B8R1.3 N[C@H]1CC[C@@H](N)CC1 T70349 [0,1,0,0,0,0|2,0,0]=3 117 B8R1.3 O=C1CCC(F)CC1 23163 [0,1,0,0,0,0|2,0,1]=4 118 B8R1.3 O=C1CC[C@H](F)CN1 P20230 [0,1,0,0,0,0|1,0,1]=3 119 B8R1.3 O=C1CC[C@H](O)CN1 62219 [0,1,0,0,0,0|1,0,1]=3 120 B8R1.3 O=C1CC[C@H](O)CO1 F13840 [0,1,0,0,0,0|2,0,1]=4 121 B8R1.3 O=C1NCC(O)CN1 D82915 [0,1,0,0,0,0|2,0,1]=4 122 B8R1.3 OC1CCC(F)CC1 P13200 [0,1,0,0,0,0|2,0,0]=3 123 B8R1.4 CC1CC(N)CCO1 D78849 [0,1,0,0,0,0|1,0,0]=2 124 B8R1.4 CC1CC(N)CCO1 P16002 [0,1,0,0,0,0|1,0,0]=2 125 B8R1.4 CC1CC(O)CCN1 33466 [0,1,0,0,0,0|0,0,0]=1 126 B8R1.4 CC1CC(O)CCN1 P17258 [0,1,0,0,0,0|0,0,0]=1 127 B8R1.4 CC1CNCC(C)O1 F18860 [0,1,0,0,0,0|2,0,0]=3 128 B8R1.4 CC1CNCC(O)C1 AC5056 [0,1,0,0,0,0|2,0,0]=3 129 B8R1.4 CC1COCC(C)N1 P10582 [0,1,0,0,0,0|1,0,0]=2 130 B8R1.4 CN1CCCC(=O)C1 S10664 [0,1,0,0,0,0|2,0,1]=4 131 B8R1.4 CN1CCC[C@H](N)C1 37174 [0,1,0,0,0,0|2,0,0]=3 132 B8R1.4 CN1CCC[C@H](N)C1 37175 [0,1,0,0,0,0|2,0,0]=3 133 B8R1.4 CN1CCC[C@H](N)C1 F13528 [0,1,0,0,0,0|2,0,0]=3 134 B8R1.4 CN1CCC[C@H](N)C1 P12011 [0,1,0,0,0,0|2,0,0]=3 135 B8R1.4 C[C@@H]1CCC[C@H](N)C1 D84824 [0,1,0,0,0,0|1,0,0]=2 136 B8R1.4 C[C@@H]1CNC[C@H](C)C1 F12546 [0,1,0,0,0,0|2,0,0]=3 137 B8R1.4 C[C@H]1CC(=O)CCN1 37834 [0,1,0,0,0,0|0,0,1]=2 138 B8R1.4 C[C@H]1CC(=O)CCN1 37835 [0,1,0,0,0,0|0,0,1]=2 139 B8R1.4 C[C@H]1CC(=O)CCN1 37846 [0,1,0,0,0,0|0,0,1]=2 140 B8R1.4 C[C@H]1CC(=O)CCO1 P11761 [0,1,0,0,0,0|1,0,1]=3 141 B8R1.4 C[C@H]1CCNC(=O)C1 P11592 [0,1,0,0,0,0|1,0,1]=3 142 B8R1.4 C[C@H]1CCOC(=O)O1 W17381 [0,1,0,0,0,0|2,0,1]=4 143 B8R1.4 C[C@H]1CN(C)CCN1 32818 [0,1,0,0,0,0|1,0,0]=2 144 B8R1.4 C[C@H]1CN(C)CCN1 F12507 [0,1,0,0,0,0|1,0,0]=2 145 B8R1.4 C[C@H]1CN(C)CCN1 F12510 [0,1,0,0,0,0|1,0,0]=2 146 B8R1.4 C[C@H]1CN(C)CCN1 P15101 [0,1,0,0,0,0|1,0,0]=2 147 B8R1.4 C[C@H]1CN(C)CCN1 P18658 [0,1,0,0,0,0|1,0,0]=2 148 B8R1.4 C[C@H]1CNCC(=O)N1 38273 [0,1,0,0,0,0|1,0,1]=3 149 B8R1.4 C[C@H]1CNCC(=O)N1 71648 [0,1,0,0,0,0|1,0,1]=3 150 B8R1.4 C[C@H]1CNCC(=O)N1 P10459 [0,1,0,0,0,0|1,0,1]=3 151 B8R1.4 C[C@H]1CNC[C@H](C)N1 39071 [0,1,0,0,0,0|1,0,0]=2 152 B8R1.4 C[C@H]1CNC[C@H](C)N1 98320 [0,1,0,0,0,0|1,0,0]=2 153 B8R1.4 C[C@H]1CNC[C@H](C)O1 38409 [0,1,0,0,0,0|2,0,0]=3 154 B8R1.4 C[C@H]1CNC[C@H](C)O1 70211 [0,1,0,0,0,0|2,0,0]=3 155 B8R1.4 C[C@H]1COC[C@@H](C)N1 38385 [0,1,0,0,0,0|1,0,0]=2 156 B8R1.4 C[C@H]1COC[C@H](C)N1 77576 [0,1,0,0,0,0|1,0,0]=2 157 B8R1.4 C[C@H]1COC[C@H](C)N1 S10555 [0,1,0,0,0,0|1,0,0]=2 158 B8R1.4 C[C@H]1COC[C@H](C)N1 S12093 [0,1,0,0,0,0|1,0,0]=2 159 B8R1.4 NC1COCC(O)C1 91463 [0,1,0,0,0,0|3,0,0]=4 160 B8R1.4 N[C@@H]1CCC[C@H](O)C1 AT10768 [0,1,0,0,0,0|2,0,0]=3 161 B8R1.4 N[C@@H]1CCC[C@H](O)C1 C14447 [0,1,0,0,0,0|2,0,0]=3 162 B8R1.4 N[C@@H]1CCC[C@H](O)C1 F11498 [0,1,0,0,0,0|2,0,0]=3 163 B8R1.4 N[C@H]1CCCC(=O)C1 20374 [0,1,0,0,0,0|2,0,1]=4 164 B8R1.4 N[C@H]1CCC[C@@H](N)C1 P15640 [0,1,0,0,0,0|2,0,0]=3 165 B8R1.4 N[C@H]1CCC[C@H](F)C1 72992 [0,1,0,0,0,0|2,0,0]=3 166 B8R1.4 N[C@H]1CCC[C@H](N)C1 T70693 [0,1,0,0,0,0|2,0,0]=3 167 B8R1.4 N[C@H]1CCC[C@H](O)C1 P15600 [0,1,0,0,0,0|2,0,0]=3 168 B8R1.4 N[C@H]1CCC[C@H](O)C1 P17839 [0,1,0,0,0,0|2,0,0]=3 169 B8R1.4 N[C@H]1CCNC(=O)C1 27397 [0,1,0,0,0,0|1,0,1]=3 170 B8R1.4 O=C1C[C@@H](O)CCN1 68727 [0,1,0,0,0,0|1,0,1]=3 171 B8R1.4 O=C1C[C@@H](O)CCN1 68728 [0,1,0,0,0,0|1,0,1]=3 172 B8R1.4 O[C@H]1CCC[C@@H](O)C1 T71365 [0,1,0,0,0,0|2,0,0]=3 173 B8R1.4 O[C@H]1CCC[C@H](O)C1 T71051 [0,1,0,0,0,0|2,0,0]=3 174 B8R1.5 C=C1CCCC[C@@H]1O D94315 [0,1,0,0,0,0|2,0,0]=3 175 B8R1.5 CC1CCNCC1O 38882 [0,1,0,0,0,0|2,0,0]=3 176 B8R1.5 CC1CNCCC1O 20765 [0,1,0,0,0,0|2,0,0]=3 177 B8R1.5 CC1CNCCC1O 33365 [0,1,0,0,0,0|2,0,0]=3 178 B8R1.5 CC1COCCC1N 33469 [0,1,0,0,0,0|2,0,0]=3 179 B8R1.5 CC1NCCOC1C F12405 [0,1,0,0,0,0|1,0,0]=2 180 B8R1.5 C[C@@H]1CCCC[C@@H]1N Y10408 [0,1,0,0,0,0|1,0,0]=2 181 B8R1.5 C[C@@H]1CCCC[C@@H]1N Y10409 [0,1,0,0,0,0|1,0,0]=2 182 B8R1.5 C[C@@H]1COCC[C@@H]1N P14106 [0,1,0,0,0,0|2,0,0]=3 183 B8R1.5 C[C@@H]1OCCNC1=O AC4099 [0,1,0,0,0,0|2,0,1]=4 184 B8R1.5 C[C@H]1CCCCC1=O D77719 [0,1,0,0,0,0|1,0,0]=2 185 B8R1.5 C[C@H]1CCCN[C@H]1C P18680 [0,1,0,0,0,0|0,0,0]=1 186 B8R1.5 C[C@H]1CCCOC1=O AB4082 [0,1,0,0,0,0|2,0,0]=3 187 B8R1.5 C[C@H]1CCNC[C@@H]1O 38883 [0,1,0,0,0,0|2,0,0]=3 188 B8R1.5 C[C@H]1CNCCN1C 37822 [0,1,0,0,0,0|1,0,0]=2 189 B8R1.5 C[C@H]1CNCCN1C P11245 [0,1,0,0,0,0|1,0,0]=2 190 B8R1.5 C[C@H]1CNCCN1C Y10614 [0,1,0,0,0,0|1,0,0]=2 191 B8R1.5 C[C@H]1CNCC[C@@H]1O P15603 [0,1,0,0,0,0|2,0,0]=3 192 B8R1.5 C[C@H]1COCCC1=O 27832 [0,1,0,0,0,0|2,0,0]=3 193 B8R1.5 C[C@H]1COCC[C@@H]1N P15602 [0,1,0,0,0,0|2,0,0]=3 194 B8R1.5 C[C@H]1CSCCC1=O 70869 [0,1,0,0,0,0|2,0,0]=3 195 B8R1.5 NC1CCOCC1O P16839 [0,1,0,0,0,0|3,0,0]=4 196 B8R1.5 NN1CCCCC1=O C74639 [0,1,0,0,0,0|1,0,1]=3 197 B8R1.5 N[C@@H]1CCOC[C@@H]1F P14573 [0,1,0,0,0,0|3,0,0]=4 198 B8R1.5 N[C@@H]1CCOC[C@@H]1O P14531 [0,1,0,0,0,0|3,0,0]=4 199 B8R1.5 N[C@@H]1CCOC[C@@H]1O P19745 [0,1,0,0,0,0|3,0,0]=4 200 B8R1.5 N[C@@H]1COCC[C@@H]1O P16186 [0,1,0,0,0,0|3,0,0]=4 201 B8R1.5 N[C@H]1CCCCC1=O C16242 [0,1,0,0,0,0|2,0,0]=3 202 B8R1.5 N[C@H]1CCCC[C@@H]1F 72976 [0,1,0,0,0,0|2,0,0]=3 203 B8R1.5 N[C@H]1CCCC[C@@H]1F D79011 [0,1,0,0,0,0|2,0,0]=3 204 B8R1.5 N[C@H]1CCCC[C@@H]1F P18297 [0,1,0,0,0,0|2,0,0]=3 205 B8R1.5 N[C@H]1CCCC[C@@H]1N 47900 [0,1,0,0,0,0|2,0,0]=3 206 B8R1.5 N[C@H]1CCCC[C@H]1N A11421 [0,1,0,0,0,0|2,0,0]=3 207 B8R1.5 N[C@H]1CCCNC1=O 11355 [0,1,0,0,0,0|1,0,1]=3 208 B8R1.5 N[C@H]1CCCNC1=O 51546 [0,1,0,0,0,0|1,0,1]=3 209 B8R1.5 N[C@H]1CCOC[C@@H]1F P14548 [0,1,0,0,0,0|3,0,0]=4 210 B8R1.5 N[C@H]1CCOC[C@@H]1F P14593 [0,1,0,0,0,0|3,0,0]=4 211 B8R1.5 N[C@H]1CCOC[C@@H]1O 38664 [0,1,0,0,0,0|3,0,0]=4 212 B8R1.5 N[C@H]1CCOC[C@@H]1O 39432 [0,1,0,0,0,0|3,0,0]=4 213 B8R1.5 N[C@H]1CCOC[C@@H]1O 39433 [0,1,0,0,0,0|3,0,0]=4 214 B8R1.5 N[C@H]1COCC[C@@H]1F P21120 [0,1,0,0,0,0|3,0,0]=4 215 B8R1.5 N[C@H]1COCC[C@@H]1O P14664 [0,1,0,0,0,0|3,0,0]=4 216 B8R1.5 O=C1CCOC[C@@H]1Br RB3241 [0,1,0,0,0,0|3,0,0]=4 217 B8R1.5 O=C1NCCC[C@@H]1Br F30215 [0,1,0,0,0,0|1,0,1]=3 218 B8R1.5 O=C1NCCC[C@@H]1O 27231 [0,1,0,0,0,0|1,0,1]=3 219 B8R1.5 O=C1OCCC[C@@H]1O 27422 [0,1,0,0,0,0|2,0,1]=4 220 B8R1.5 OC1CCOCC1F P14713 [0,1,0,0,0,0|3,0,0]=4 221 B8R1.5 O[C@@H]1CCNC[C@@H]1F 37699 [0,1,0,0,0,0|3,0,0]=4 222 B8R1.5 O[C@@H]1CCNC[C@@H]1F 39257 [0,1,0,0,0,0|3,0,0]=4 223 B8R1.5 O[C@@H]1CCNC[C@@H]1F P15698 [0,1,0,0,0,0|3,0,0]=4 224 B8R1.5 O[C@H]1CCCC[C@@H]1O C14127 [0,1,0,0,0,0|2,0,0]=3 225 B8R1.5 O[C@H]1CCNC[C@@H]1F 37698 [0,1,0,0,0,0|3,0,0]=4 226 B8R1.5 O[C@H]1CCNC[C@@H]1F P13776 [0,1,0,0,0,0|3,0,0]=4 227 B8R1.5 O[C@H]1CCNC[C@@H]1O P10847 [0,1,0,0,0,0|3,0,0]=4 228 B8R1.5 O[C@H]1CCNC[C@@H]1O P17759 [0,1,0,0,0,0|3,0,0]=4 229 B8R1.5 O[C@H]1CNCC[C@@H]1F P14517 [0,1,0,0,0,0|3,0,0]=4 230 B8R1.5 O[C@H]1CNCC[C@H]1O P15637 [0,1,0,0,0,0|3,0,0]=4 231 B8R1.72 CC1(Br)CCCCC1 P19508 [0,1,0,0,0,0|1,0,0]=2 232 B8R1.72 CC1(Br)CCOCC1 AC1905 [0,1,0,0,0,0|2,0,0]=3 233 B8R1.72 CC1(C)CNCCO1 20348 [0,1,0,0,0,0|2,0,0]=3 234 B8R1.72 CC1(F)CCNCC1 72921 [0,1,0,0,0,0|2,0,0]=3 235 B8R1.72 CC1(N)CCNCC1 F30991 [0,1,0,0,0,0|2,0,0]=3 236 B8R1.72 CC1(N)CCOCC1 P16590 [0,1,0,0,0,0|2,0,0]=3 237 B8R1.72 CC1(O)CCOCC1 69121 [0,1,0,0,0,0|2,0,0]=3 238 B8R1.72 CC1(O)CCSCC1 C74963 [0,1,0,0,0,0|2,0,0]=3 239 B8R1.72 C[C@]1(O)CCCNC1 37167 [0,1,0,0,0,0|2,0,0]=3 240 B8R1.72 C[C@]1(O)CCCNC1 P18955 [0,1,0,0,0,0|2,0,0]=3 241 B8R1.72 C[C@]1(O)CCCNC1 Y10737 [0,1,0,0,0,0|2,0,0]=3 242 B8R1.72 C[N+]1(C)CCOCC1 AB10337 [0,1,0,0,0,0|3,0,0]=4 243 B8R1.72 C[Si]1(C)CCNCC1 P12584 [0,1,0,0,0,0|2,1,0]=4 244 B8R1.72 FC1(F)CCNCC1 32752 [0,1,0,0,0,0|3,0,0]=4 245 B8R1.72 O=S1(=O)CCOCN1 91996 [0,1,0,0,0,0|3,0,0]=4 246 B6R0.1 CCC[C@@H](Br)CC D78429 [0,0,1,0,0,0|2,0,0]=3 247 B6R0.1 CCC[C@H](N)CO C13482 [0,0,1,0,0,0|3,0,0]=4 248 B6R0.1 CCNC(=O)CO 79517 [0,0,1,0,0,0|2,0,1]=4 249 B6R0.1 CCO[C@@H](C)CO 91003 [0,0,1,0,0,0|2,0,0]=3 250 B6R0.1 CC[C@H](S)CCO D84734 [0,0,1,0,0,0|3,0,0]=4 251 B6R0.1 CNC(=O)CCN C75423 [0,0,1,0,0,0|2,0,1]=4 252 B6R0.1 CNC(=O)CCO AC6610 [0,0,1,0,0,0|2,0,1]=4 253 B6R0.1 CNC(=O)CCS A11187 [0,0,1,0,0,0|2,0,1]=4 254 B6R0.4 C#CCOC(C)C 79308 [0,0,1,0,0,0|1,0,2]=4 255 B6R0.4 C=C(C)CCCBr 71968 [0,0,1,0,0,0|2,0,1]=4 256 B6R0.4 CC(=O)CCCBr 25631 [0,0,1,0,0,0|2,0,1]=4 257 B6R0.4 CC(C)CCC=O 31143 [0,0,1,0,0,0|2,0,1]=4 258 B6R0.4 CC(C)OCCBr 33996 [0,0,1,0,0,0|2,0,0]=3 259 B6R0.4 CC(C)OCCN T71353 [0,0,1,0,0,0|2,0,0]=3 260 B6R0.4 CCOC[C@H](C)N 75202 [0,0,1,0,0,0|1,0,0]=2 261 B6R0.4 C[C@H](Cl)CCCCl A11066 [0,0,1,0,0,0|2,0,0]=3 262 B6R0.4 NCCCC(N)=O C72206 [0,0,1,0,0,0|2,0,1]=4 263 B6R0.6 BrCCNCCBr 35649 [0,0,1,0,0,0|3,0,0]=4 264 B6R0.6 C#CCCCCI C74272 [0,0,1,0,0,0|1,0,2]=4 265 B6R0.6 C#CCCCCN 79352 [0,0,1,0,0,0|0,0,2]=3 266 B6R0.6 CC#CCCCO W16152 [0,0,1,0,0,0|1,0,2]=4 267 B6R0.6 CCOCCCBr A11082 [0,0,1,0,0,0|2,0,0]=3 268 B6R0.6 CCOCCON W15834 [0,0,1,0,0,0|2,0,0]=3 269 B6R0.6 CC\C=C/CCI 98107 [0,0,1,0,0,0|1,0,2]=4 270 B6R0.6 CNCCCCBr C74879 [0,0,1,0,0,0|2,0,0]=3 271 B6R0.6 CNCCCCN D80538 [0,0,1,0,0,0|1,0,0]=2 272 B6R0.6 ClCCOCCI 12079 [0,0,1,0,0,0|3,0,0]=4 273 B6R0.6 N#CCCCCBr D77353 [0,0,1,0,0,0|1,0,2]=4 274 B6R0.6 NCCCCCBr 97997 [0,0,1,0,0,0|1,0,0]=2 275 B6R0.6 NCCNCCN D81398 [0,0,1,0,0,0|2,0,0]=3 276 B6R0.6 OCCCCCO D77911 [0,0,1,0,0,0|2,0,0]=3 277 B6R0.6 OCCOCCF AT25497 [0,0,1,0,0,0|3,0,0]=4 278 B8R2.11 N[C@@H]1[C@H]2COC[C@H]21 W12506 [0,0,0,1,0,0|3,0,0]=4 279 B8R2.18 O=C1CC2CC2C1 W10830 [0,0,0,1,0,0|2,0,1]=4 280 B8R2.23 C1NCC2CC1N2 F18876 [0,0,0,1,0,0|1,0,0]=2 281 B8R2.25 C1CNC2CC2C1 70876 [0,0,0,1,0,0|0,0,0]=1 282 B8R2.25 C1CNC2CC2N1 P18856 [0,0,0,1,0,0|1,0,0]=2 283 B8R2.34 C1=C[C@@H]2CN[C@H]1C2 P10331 [0,0,0,1,0,0|0,0,2]=3 284 B8R2.34 C1CC2CC1CN2 D73537 [0,0,0,1,0,0|0,0,0]=1 285 B8R2.34 C1CC2CC1CN2 P10332 [0,0,0,1,0,0|0,0,0]=1 286 B8R2.34 C1CC2CCC1C2 F16610 [0,0,0,1,0,0|1,0,0]=2 287 B8R2.34 C1CC2CCC1N2 39142 [0,0,0,1,0,0|2,0,0]=3 288 B8R2.34 C1OC2CNC1C2 CS1881 [0,0,0,1,0,0|1,0,0]=2 289 B8R2.34 C1OC2CNC1C2 SC1961 [0,0,0,1,0,0|1,0,0]=2 290 B8R2.34 C1O[C@@H]2CN[C@H]1C2 38911 [0,0,0,1,0,0|1,0,0]=2 291 B8R2.34 C1O[C@@H]2CN[C@H]1C2 P12383 [0,0,0,1,0,0|1,0,0]=2 292 B8R2.34 C1O[C@@H]2CN[C@H]1C2 P14495 [0,0,0,1,0,0|1,0,0]=2 293 B8R2.38 O=C1CCC2CC12 P19135 [0,0,0,1,0,0|2,0,1]=4 294 B6R1.2 C=C1CCNC1 F13598 [0,0,0,0,1,0|1,0,2]=4 295 B6R1.2 C[C@H]1CCNC1 69327 [0,0,0,0,1,0|1,0,0]=2 296 B6R1.2 C[C@H]1CCSC1 70016 [0,0,0,0,1,0|1,0,0]=2 297 B6R1.2 Cl[C@H]1CCNC1 W15835 [0,0,0,0,1,0|2,0,0]=3 298 B6R1.2 Cl[C@H]1CCOC1 N12419 [0,0,0,0,1,0|2,0,0]=3 299 B6R1.2 F[C@H]1CCNC1 P10396 [0,0,0,0,1,0|2,0,0]=3 300 B6R1.2 F[C@H]1CCNC1 P10397 [0,0,0,0,1,0|2,0,0]=3 301 B6R1.2 I[C@H]1CCOC1 37310 [0,0,0,0,1,0|2,0,0]=3 302 B6R1.2 I[C@H]1CCOC1 37311 [0,0,0,0,1,0|2,0,0]=3 303 B6R1.2 NN1CCCC1 F13227 [0,0,0,0,1,0|2,0,0]=3 304 B6R1.2 NN1CCCC1 S12058 [0,0,0,0,1,0|2,0,0]=3 305 B6R1.2 N[C@H]1CCSC1 70834 [0,0,0,0,1,0|2,0,0]=3 306 B6R1.2 O=C1CNCN1 25530 [0,0,0,0,1,0|2,0,1]=4 307 B6R1.2 O[C@H]1CCSC1 50208 [0,0,0,0,1,0|2,0,0]=3 308 B6R1.2 O[C@H]1CNOC1 31712 [0,0,0,0,1,0|3,0,0]=4 309 B8R1.22 BrC1CCCCCC1 F53566 [0,0,0,0,0,1|2,0,0]=3 310 B8R1.22 CC1CNCCNC1 70848 [0,0,0,0,0,1|1,0,0]=2 311 B8R1.22 C[C@H]1CCCCCN1 D79537 [0,0,0,0,0,1|0,0,0]=1 312 B8R1.22 C[C@H]1CCCCCN1 D79538 [0,0,0,0,0,1|0,0,0]=1 313 B8R1.22 C[C@H]1CCCCCN1 W10101 [0,0,0,0,0,1|0,0,0]=1 314 B8R1.22 C[C@H]1CCCCNC1 72971 [0,0,0,0,0,1|0,0,0]=1 315 B8R1.22 C[C@H]1CCNCCN1 70847 [0,0,0,0,0,1|0,0,0]=1 316 B8R1.22 C[C@H]1CNCCCO1 72856 [0,0,0,0,0,1|1,0,0]=2 317 B8R1.22 C[C@H]1CNCCOC1 73160 [0,0,0,0,0,1|1,0,0]=2 318 B8R1.22 NC1=NCCCCC1 D85903 [0,0,0,0,0,1|1,0,2]=4 319 B8R1.22 N[C@H]1CCCNCC1 36658 [0,0,0,0,0,1|2,0,0]=3 320 B8R1.22 N[C@H]1CNCCOC1 P20272 [0,0,0,0,0,1|2,0,0]=3 321 B8R1.22 O=C1CCCCCN1 D94502 [0,0,0,0,0,1|1,0,1]=3 322 B8R1.22 O=C1CCCCNC1 50109 [0,0,0,0,0,1|1,0,1]=3 323 B8R1.22 O=C1CCCOCC1 P12770 [0,0,0,0,0,1|2,0,1]=4 324 B8R1.22 O=C1CCNCCN1 58405 [0,0,0,0,0,1|1,0,1]=3 325 B8R1.22 O=C1CNCCNC1 77718 [0,0,0,0,0,1|2,0,1]=4 326 B8R1.22 O=C1CNCCOC1 P20266 [0,0,0,0,0,1|2,0,1]=4 327 B8R1.22 O=C1COCCCN1 71169 [0,0,0,0,0,1|1,0,1]=3 328 B8R1.22 O=C1OCCCCO1 D93115 [0,0,0,0,0,1|2,0,1]=4 329 B8R1.22 OC1CNCCNC1 77717 [0,0,0,0,0,1|2,0,0]=3 330 B5R0.1 CCC[C@H](C)N P14575 [1,0,1,0,0,0|0,0,0]=2 331 B5R0.1 CCC[C@H](C)N Y10887 [1,0,1,0,0,0|0,0,0]=2 332 B5R0.1 CN(C)CCO D93012 [1,0,1,0,0,0|2,0,0]=4 333 B5R0.1 CNC[C@H](C)O AC1157 [1,0,1,0,0,0|2,0,0]=4 334 B5R0.1 CNC[C@H](C)O N12528 [1,0,1,0,0,0|2,0,0]=4 335 B5R0.1 COC[C@H](C)Br 78860 [1,0,1,0,0,0|2,0,0]=4 336 B5R0.1 COC[C@H](C)N 25526 [1,0,1,0,0,0|1,0,0]=3 337 B5R0.1 COC[C@H](C)N D95458 [1,0,1,0,0,0|1,0,0]=3 338 B5R0.1 COC[C@H](C)N W17998 [1,0,1,0,0,0|1,0,0]=3 339 B5R0.1 C[C@H](N)CC#N 12486 [1,0,1,0,0,0|1,0,1]=4 340 B5R0.1 C[C@H](O)CCN 83616 [1,0,1,0,0,0|2,0,0]=4 341 B5R0.1 C[S+](C)CCCl 77752 [1,0,1,0,0,0|2,0,0]=4 342 B5R0.2 C#CCCCN 72839 [1,0,1,0,0,0|0,0,2]=4 343 B5R0.2 C=CCCNC W16107 [1,0,1,0,0,0|0,0,2]=4 344 B5R0.2 CCCCON 31644 [1,0,1,0,0,0|1,0,0]=3 345 B5R0.2 CNOCCN D97505 [1,0,1,0,0,0|2,0,0]=4 346 B5R0.2 COCCCO D77912 [1,0,1,0,0,0|2,0,0]=4 347 B5R0.2 NCCCCCl F19552 [1,0,1,0,0,0|1,0,0]=3 348 B5R0.2 NNCCCO AB9423 [1,0,1,0,0,0|2,0,0]=4 349 B5R0.3 CC[C@H](C)CN 88665 [1,0,1,0,0,0|1,0,0]=3 350 B5R0.3 CC[PH](=O)CC C77650 [1,0,1,0,0,0|2,0,0]=4 351 B5R0.3 CN[C@@H](C)CO AC8719 [1,0,1,0,0,0|1,0,0]=3 352 B5R0.3 CN[C@@H](C)CO C77593 [1,0,1,0,0,0|1,0,0]=3 353 B5R0.3 CN[C@@H](C)CO D80042 [1,0,1,0,0,0|1,0,0]=3 354 B5R0.3 CN[C@@H](C)CO D80344 [1,0,1,0,0,0|1,0,0]=3 355 B5R0.3 CN[C@@H](C)CO D82586 [1,0,1,0,0,0|1,0,0]=3 356 B5R0.3 CO[C@@H](C)CN 91001 [1,0,1,0,0,0|2,0,0]=4 357 B5R0.3 CO[C@@H](C)CO 91002 [1,0,1,0,0,0|2,0,0]=4 358 B5R0.3 C[C@@H](CN)CCl 72948 [1,0,1,0,0,0|2,0,0]=4 359 B5R0.3 C[C@@H](CO)CBr AB3182 [1,0,1,0,0,0|2,0,0]=4 360 B7R0.2 CC[C@H](C)CC(C)=O A11862 [0,1,1,0,0,0|1,0,1]=4 361 B7R0.2 COC(C)CC(C)O 78061 [0,1,1,0,0,0|1,0,0]=3 362 B7R0.5 CCCC(Br)C(C)Br D81745 [0,1,1,0,0,0|2,0,0]=4 363 B7R0.7 CCC[C@H](Br)CCBr D94373 [0,1,1,0,0,0|2,0,0]=4 364 B7R0.7 CCC[C@H](N)CCO AT20461 [0,1,1,0,0,0|2,0,0]=4 365 B7R0.7 CCC[C@H](N)CCO I11080 [0,1,1,0,0,0|2,0,0]=4 366 B7R0.7 CCC[C@H](N)CCO N12794 [0,1,1,0,0,0|2,0,0]=4 367 B7R0.7 CCNC(=O)CCCl Y14703 [0,1,1,0,0,0|1,0,1]=4 368 B7R0.7 CCNC(=O)CNC A12930 [0,1,1,0,0,0|1,0,1]=4 369 B7R0.7 CCOP(C)OCC 28742 [0,1,1,0,0,0|2,0,0]=4 370 B7R0.10 CC[C@@H](C)[C@@H](N)CO 73347 [0,1,1,0,0,0|2,0,0]=4 371 B7R0.10 CN[C@@H](C)C(=O)OC D84514 [0,1,1,0,0,0|1,0,1]=4 372 B7R0.11 CCC(C)(C)CCCl F50555 [0,1,1,0,0,0|2,0,0]=4 373 B7R0.11 CCCC(C)(C)C#N T70545 [0,1,1,0,0,0|2,0,0]=4 374 B7R0.11 CCC[C@](C)(N)C#N 20848 [0,1,1,0,0,0|2,0,0]=4 375 B7R0.12 CCCC(CO)CO AB7729 [0,1,1,0,0,0|2,0,0]=4 376 B7R0.12 CCN[C@@H](CC)CO 29377 [0,1,1,0,0,0|0,0,0]=2 377 B7R0.4 CC(=O)CCCCBr O11558 [0,1,1,0,0,0|1,0,1]=4 378 B7R0.4 CC(C)CCCCBr C74820 [0,1,1,0,0,0|1,0,0]=3 379 B7R0.4 CCCNCC(C)C AC1640 [0,1,1,0,0,0|0,0,0]=2 380 B7R0.4 CCNCCC(N)=O AT24732 [0,1,1,0,0,0|1,0,1]=4 381 B7R0.4 CN(C)CCCCCl W16936 [0,1,1,0,0,0|2,0,0]=4 382 B7R0.4 CNCCCC(N)=O 21232 [0,1,1,0,0,0|1,0,1]=4 383 B7R0.4 C[C@H](Cl)CCCCCl A12620 [0,1,1,0,0,0|1,0,0]=3 384 B7R0.6 CC(=O)NNC(C)C F19849 [0,1,1,0,0,0|1,0,1]=4 385 B7R0.6 C[C@H](O)CC[C@H](C)O F17009 [0,1,1,0,0,0|1,0,0]=3 386 B7R0.8 CC(C)(O)CCCN 31824 [0,1,1,0,0,0|2,0,0]=4 387 B7R0.8 CC(C)(O)CCCO AB7595 [0,1,1,0,0,0|2,0,0]=4 388 B7R0.1 C=CCCCCNC R10008 [0,1,1,0,0,0|0,0,2]=4 389 B7R0.1 CCCNCCCO AB4057 [0,1,1,0,0,0|1,0,0]=3 390 B7R0.1 CNCCOCCO C70229 [0,1,1,0,0,0|2,0,0]=4 391 B7R0.1 COCCOCCI AT13077 [0,1,1,0,0,0|2,0,0]=4 392 B7R0.1 FCCCCCCBr A50948 [0,1,1,0,0,0|1,0,0]=3 393 B7R0.1 N#CCCNCCO D94844 [0,1,1,0,0,0|1,0,1]=4 394 B7R0.1 NCCCCCCBr D83295 [0,1,1,0,0,0|0,0,0]=2 395 B7R0.1 NCCCCCCS F31196 [0,1,1,0,0,0|0,0,0]=2 396 B7R0.1 NCCCNCCS W12623 [0,1,1,0,0,0|1,0,0]=3 397 B7R0.1 NCCCOCCO W11222 [0,1,1,0,0,0|1,0,0]=3 398 B7R1.1 BrCC1=CCCC1 37275 [0,1,0,0,1,0|0,0,2]=4 399 B7R1.1 BrC[C@H]1CCOC1 84096 [0,1,0,0,1,0|1,0,0]=3 400 B7R1.1 C=CC1CCCC1 T72385 [0,1,0,0,1,0|0,0,1]=3 401 B7R1.1 CC[C@H]1CCCN1 F16886 [0,1,0,0,1,0|0,0,0]=2 402 B7R1.1 CC[C@H]1CCNC1 P14869 [0,1,0,0,1,0|1,0,0]=3 403 B7R1.1 CN[C@H]1CCOC1 P18534 [0,1,0,0,1,0|1,0,0]=3 404 B7R1.1 CN[C@H]1CCOC1 P18535 [0,1,0,0,1,0|1,0,0]=3 405 B7R1.1 COC1=CCCC1 D93350 [0,1,0,0,1,0|0,0,2]=4 406 B7R1.1 CO[C@H]1CCNC1 26935 [0,1,0,0,1,0|1,0,0]=3 407 B7R1.1 CO[C@H]1CCNC1 P10862 [0,1,0,0,1,0|1,0,0]=3 408 B7R1.1 FC[C@H]1CCCN1 37688 [0,1,0,0,1,0|0,0,0]=2 409 B7R1.1 FC[C@H]1CCCN1 P11073 [0,1,0,0,1,0|0,0,0]=2 410 B7R1.1 FC[C@H]1CCNC1 P18731 [0,1,0,0,1,0|1,0,0]=3 411 B7R1.1 N#C[C@@H]1CCCN1 37678 [0,1,0,0,1,0|0,0,1]=3 412 B7R1.1 N#C[C@@H]1CCCN1 68253 [0,1,0,0,1,0|0,0,1]=3 413 B7R1.1 N#C[C@@H]1CCCN1 68254 [0,1,0,0,1,0|0,0,1]=3 414 B7R1.1 N#C[C@@H]1CCCO1 31513 [0,1,0,0,1,0|1,0,1]=4 415 B7R1.1 N#C[C@@H]1CSCN1 68265 [0,1,0,0,1,0|1,0,1]=4 416 B7R1.1 N#C[C@H]1CCNC1 81493 [0,1,0,0,1,0|1,0,1]=4 417 B7R1.1 N#C[C@H]1CCNC1 81538 [0,1,0,0,1,0|1,0,1]=4 418 B7R1.1 N#C[C@H]1CCNC1 82703 [0,1,0,0,1,0|1,0,1]=4 419 B7R1.1 N#C[C@H]1CCOC1 39230 [0,1,0,0,1,0|1,0,1]=4 420 B7R1.1 N#C[C@H]1CCOC1 P12891 [0,1,0,0,1,0|1,0,1]=4 421 B7R1.1 NCC1CCCC1 P10292 [0,1,0,0,1,0|0,0,0]=2 422 B7R1.1 NC[C@H]1CCCN1 83159 [0,1,0,0,1,0|0,0,0]=2 423 B7R1.1 NC[C@H]1CCCO1 83007 [0,1,0,0,1,0|1,0,0]=3 424 B7R1.1 NC[C@H]1CCCO1 S11127 [0,1,0,0,1,0|1,0,0]=3 425 B7R1.1 NC[C@H]1CCOC1 37316 [0,1,0,0,1,0|1,0,0]=3 426 B7R1.1 NC[C@H]1CCOC1 68891 [0,1,0,0,1,0|1,0,0]=3 427 B7R1.1 NC[C@H]1CCOC1 P12031 [0,1,0,0,1,0|1,0,0]=3 428 B7R1.1 NNC1CCCC1 BL010355 [0,1,0,0,1,0|1,0,0]=3 429 B7R1.1 NOC1CCCC1 97655 [0,1,0,0,1,0|1,0,0]=3 430 B7R1.1 OC[C@H]1CCCO1 66575 [0,1,0,0,1,0|1,0,0]=3 431 B7R1.1 OC[C@H]1CCNC1 24481 [0,1,0,0,1,0|1,0,0]=3 432 B7R1.1 OC[C@H]1CCNC1 29239 [0,1,0,0,1,0|1,0,0]=3 433 B7R1.1 OC[C@H]1CCNC1 30959 [0,1,0,0,1,0|1,0,0]=3 434 B7R1.1 OC[C@H]1CCOC1 37313 [0,1,0,0,1,0|1,0,0]=3 435 B7R1.1 OC[C@H]1CCOC1 37314 [0,1,0,0,1,0|1,0,0]=3 436 B7R1.1 [C-]#[N+]C1CCCC1 T71226 [0,1,0,0,1,0|0,0,1]=3 437 B7R1.2 CN1CCC(=O)C1 64220 [0,1,0,0,1,0|1,0,1]=4 438 B7R1.2 CN1CC[C@H](Br)C1 C14104 [0,1,0,0,1,0|1,0,0]=3 439 B7R1.2 CN1CC[C@H](N)C1 51282 [0,1,0,0,1,0|1,0,0]=3 440 B7R1.2 CN1CC[C@H](N)C1 51289 [0,1,0,0,1,0|1,0,0]=3 441 B7R1.2 CN1CC[C@H](N)C1 FD9067 [0,1,0,0,1,0|1,0,0]=3 442 B7R1.2 C[C@@H]1CNC(=O)C1 P17327 [0,1,0,0,1,0|1,0,1]=4 443 B7R1.2 C[C@@H]1C[C@H](O)CN1 F13013 [0,1,0,0,1,0|0,0,0]=2 444 B7R1.2 C[C@H]1CCC(=O)N1 P20894 [0,1,0,0,1,0|0,0,1]=3 445 B7R1.2 C[C@H]1CCC(=O)N1 P20895 [0,1,0,0,1,0|0,0,1]=3 446 B7R1.2 C[C@H]1CC[C@@H](C)N1 P17782 [0,1,0,0,1,0|0,0,0]=2 447 B7R1.2 C[C@H]1CC[C@H](C)N1 P19223 [0,1,0,0,1,0|0,0,0]=2 448 B7R1.2 C[C@H]1COC(=O)N1 O10180 [0,1,0,0,1,0|1,0,1]=4 449 B7R1.2 C[C@H]1COC(=O)N1 W17357 [0,1,0,0,1,0|1,0,1]=4 450 B7R1.2 NC1CCC(N)C1 D79385 [0,1,0,0,1,0|1,0,0]=3 451 B7R1.2 NC1CCC(O)C1 21055 [0,1,0,0,1,0|1,0,0]=3 452 B7R1.2 NC1CCC(O)C1 26425 [0,1,0,0,1,0|1,0,0]=3 453 B7R1.2 N[C@@H]1CC[C@H](F)C1 P18588 [0,1,0,0,1,0|1,0,0]=3 454 B7R1.2 N[C@@H]1CC[C@H](F)C1 P20484 [0,1,0,0,1,0|1,0,0]=3 455 B7R1.2 N[C@@H]1CC[C@H](O)C1 27526 [0,1,0,0,1,0|1,0,0]=3 456 B7R1.2 N[C@@H]1CC[C@H](O)C1 38967 [0,1,0,0,1,0|1,0,0]=3 457 B7R1.2 N[C@@H]1CC[C@H](O)C1 72087 [0,1,0,0,1,0|1,0,0]=3 458 B7R1.2 N[C@@H]1CC[C@H](O)C1 72088 [0,1,0,0,1,0|1,0,0]=3 459 B7R1.2 N[C@@H]1CC[C@H](O)C1 72349 [0,1,0,0,1,0|1,0,0]=3 460 B7R1.2 N[C@@H]1CC[C@H](O)C1 W11751 [0,1,0,0,1,0|1,0,0]=3 461 B7R1.2 N[C@@H]1CNC(=O)C1 N10626 [0,1,0,0,1,0|1,0,1]=4 462 B7R1.2 N[C@@H]1CNC(=O)C1 P12720 [0,1,0,0,1,0|1,0,1]=4 463 B7R1.2 N[C@H]1CC[C@H](N)C1 F53332 [0,1,0,0,1,0|1,0,0]=3 464 B7R1.2 N[C@H]1CC[C@H](O)C1 27518 [0,1,0,0,1,0|1,0,0]=3 465 B7R1.2 N[C@H]1CC[C@H](O)C1 31093 [0,1,0,0,1,0|1,0,0]=3 466 B7R1.2 N[C@H]1CC[C@H](O)C1 W11748 [0,1,0,0,1,0|1,0,0]=3 467 B7R1.2 O=C1CC[C@H](O)C1 P13127 [0,1,0,0,1,0|1,0,1]=4 468 B7R1.2 O[C@H]1CC[C@@H](O)C1 P16667 [0,1,0,0,1,0|1,0,0]=3 469 B7R1.4 Br[C@H]1CCC[C@@H]1Br D97021 [0,1,0,0,1,0|1,0,0]=3 470 B7R1.4 CC1CNCC1C P18713 [0,1,0,0,1,0|1,0,0]=3 471 B7R1.4 C[C@@H]1CCC[C@@H]1N 72991 [0,1,0,0,1,0|0,0,0]=2 472 B7R1.4 C[C@@H]1CCC[C@@H]1O 72407 [0,1,0,0,1,0|0,0,0]=2 473 B7R1.4 C[C@@H]1CNC[C@@H]1F 73104 [0,1,0,0,1,0|1,0,0]=3 474 B7R1.4 C[C@@H]1CNC[C@@H]1N F13008 [0,1,0,0,1,0|1,0,0]=3 475 B7R1.4 C[C@@H]1CNC[C@@H]1O 72981 [0,1,0,0,1,0|1,0,0]=3 476 B7R1.4 C[C@H]1CCC[C@@H]1O 71002 [0,1,0,0,1,0|0,0,0]=2 477 B7R1.4 C[C@H]1CNC[C@@H]1O 72668 [0,1,0,0,1,0|1,0,0]=3 478 B7R1.4 C[C@H]1COC[C@@H]1N P16382 [0,1,0,0,1,0|1,0,0]=3 479 B7R1.4 C[C@H]1COC[C@@H]1O 73077 [0,1,0,0,1,0|1,0,0]=3 480 B7R1.4 F[C@H]1CNC[C@H]1F 83249 [0,1,0,0,1,0|2,0,0]=4 481 B7R1.4 NC1CCCC1N F16273 [0,1,0,0,1,0|1,0,0]=3 482 B7R1.4 NC1COCC1O O11159 [0,1,0,0,1,0|2,0,0]=4 483 B7R1.4 N[C@@H]1CCC[C@@H]1O P10925 [0,1,0,0,1,0|1,0,0]=3 484 B7R1.4 N[C@@H]1COC[C@@H]1F W12424 [0,1,0,0,1,0|2,0,0]=4 485 B7R1.4 N[C@@H]1COC[C@@H]1N P15675 [0,1,0,0,1,0|2,0,0]=4 486 B7R1.4 N[C@@H]1COC[C@@H]1O F53671 [0,1,0,0,1,0|2,0,0]=4 487 B7R1.4 N[C@@H]1COC[C@@H]1O P12686 [0,1,0,0,1,0|2,0,0]=4 488 B7R1.4 N[C@H]1CCC[C@@H]1F P17786 [0,1,0,0,1,0|1,0,0]=3 489 B7R1.4 N[C@H]1CCC[C@@H]1N F16352 [0,1,0,0,1,0|1,0,0]=3 490 B7R1.4 N[C@H]1CCC[C@@H]1O 71753 [0,1,0,0,1,0|1,0,0]=3 491 B7R1.4 N[C@H]1CCC[C@H]1N I12005 [0,1,0,0,1,0|1,0,0]=3 492 B7R1.4 N[C@H]1CCNC1=O 51276 [0,1,0,0,1,0|1,0,1]=4 493 B7R1.4 N[C@H]1CCNC1=O 51277 [0,1,0,0,1,0|1,0,1]=4 494 B7R1.4 N[C@H]1CCNC1=O 51278 [0,1,0,0,1,0|1,0,1]=4 495 B7R1.4 N[C@H]1CCNC1=O F14678 [0,1,0,0,1,0|1,0,1]=4 496 B7R1.4 N[C@H]1CNC[C@@H]1F D72106 [0,1,0,0,1,0|2,0,0]=4 497 B7R1.4 N[C@H]1COC[C@@H]1F W12730 [0,1,0,0,1,0|2,0,0]=4 498 B7R1.4 N[C@H]1COC[C@@H]1N 37783 [0,1,0,0,1,0|2,0,0]=4 499 B7R1.4 N[C@H]1COC[C@@H]1N 37786 [0,1,0,0,1,0|2,0,0]=4 500 B7R1.4 N[C@H]1COC[C@@H]1N P15676 [0,1,0,0,1,0|2,0,0]=4 501 B7R1.4 N[C@H]1COC[C@@H]1O 71841 [0,1,0,0,1,0|2,0,0]=4 502 B7R1.4 N[C@H]1COC[C@@H]1O P12486 [0,1,0,0,1,0|2,0,0]=4 503 B7R1.4 N[C@H]1COC[C@@H]1O P15828 [0,1,0,0,1,0|2,0,0]=4 504 B7R1.4 O=C1NCC[C@@H]1Br 78555 [0,1,0,0,1,0|1,0,1]=4 505 B7R1.4 O[C@@H]1CNC[C@@H]1F 72988 [0,1,0,0,1,0|2,0,0]=4 506 B7R1.4 O[C@H]1CNC[C@@H]1F 38827 [0,1,0,0,1,0|2,0,0]=4 507 B7R1.4 O[C@H]1CNC[C@@H]1F P15834 [0,1,0,0,1,0|2,0,0]=4 508 B7R1.4 O[C@H]1CNC[C@@H]1O 39002 [0,1,0,0,1,0|2,0,0]=4 509 B7R1.4 O[C@H]1CNC[C@@H]1O P15707 [0,1,0,0,1,0|2,0,0]=4 510 B7R1.4 O[C@H]1COC[C@@H]1F 73076 [0,1,0,0,1,0|2,0,0]=4 511 B7R1.4 O[C@H]1COC[C@@H]1O 66690 [0,1,0,0,1,0|2,0,0]=4 512 B7R1.14 CC1(Br)CCCC1 P19649 [0,1,0,0,1,0|0,0,0]=2 513 B7R1.14 CC1(C)CCCN1 71736 [0,1,0,0,1,0|0,0,0]=2 514 B7R1.14 CC1(C)CCCN1 71895 [0,1,0,0,1,0|0,0,0]=2 515 B7R1.14 CC1(C)CCNC1 28371 [0,1,0,0,1,0|1,0,0]=3 516 B7R1.14 CC1(C)COCN1 FD10630 [0,1,0,0,1,0|1,0,0]=3 517 B7R1.14 CC1(N)CCCC1 90423 [0,1,0,0,1,0|0,0,0]=2 518 B7R1.14 C[C@]1(F)CCNC1 P15373 [0,1,0,0,1,0|1,0,0]=3 519 B7R1.14 C[C@]1(N)CCOC1 38927 [0,1,0,0,1,0|1,0,0]=3 520 B7R1.14 C[C@]1(O)CCNC1 D96498 [0,1,0,0,1,0|1,0,0]=3 521 B7R1.14 C[C@]1(O)CCOC1 69114 [0,1,0,0,1,0|1,0,0]=3 522 B9R1.5 CC1CCCNCC1C 73165 [0,1,0,0,0,1|0,0,0]=2 523 B9R1.5 CN1CCCNCC1=O 37932 [0,1,0,0,0,1|1,0,1]=4 524 B9R1.5 CN1CCCNCC1=O Y10016 [0,1,0,0,0,1|1,0,1]=4 525 B9R1.5 CN1CCNCCC1=O Y10618 [0,1,0,0,0,1|1,0,1]=4 526 B9R1.5 C[C@@H]1NCCCNC1=O F50270 [0,1,0,0,0,1|0,0,1]=3 527 B9R1.5 C[C@@H]1NCCCNC1=O F50344 [0,1,0,0,0,1|0,0,1]=3 528 B9R1.5 C[C@H]1CCNCCC1=O 73013 [0,1,0,0,0,1|1,0,0]=3 529 B9R1.5 N[C@H]1CCCCNC1=O A56020 [0,1,0,0,0,1|1,0,0]=3 530 B9R1.5 O=C1CCNCC[C@@H]1Br 98344 [0,1,0,0,0,1|2,0,0]=4 531 B9R1.5 O=C1CNCCC[C@@H]1F 72994 [0,1,0,0,0,1|1,0,1]=4 532 B9R1.5 OC1CCNCCC1F 73002 [0,1,0,0,0,1|2,0,0]=4 533 B9R1.48 C[C@H]1CC(=O)NCCN1 38322 [0,1,0,0,0,1|0,0,1]=3 534 B9R1.48 C[C@H]1CCCCC(=O)N1 W19298 [0,1,0,0,0,1|0,0,0]=2 535 B9R1.48 O=C1CCCNC(=O)C1 F12567 [0,1,0,0,0,1|1,0,1]=4 536 B9R1.49 CN1CCC[C@H](N)CC1 37046 [0,1,0,0,0,1|2,0,0]=4 537 B9R1.49 CN1CCC[C@H](O)CC1 63484 [0,1,0,0,0,1|2,0,0]=4 538 B9R1.49 CN1CCNC(=O)CC1 Y10078 [0,1,0,0,0,1|1,0,1]=4 539 B9R1.49 O=C1CCC[C@H](O)CN1 N10631 [0,1,0,0,0,1|1,0,1]=4 540 B9R1.89 CCN1CCCCCC1 A11156 [0,1,0,0,0,1|2,0,0]=4 541 B9R1.89 CCN1CCCNCC1 I11453 [0,1,0,0,0,1|2,0,0]=4 542 B9R1.89 CN[C@H]1CCCCNC1 M59314 [0,1,0,0,0,1|0,0,0]=2 543 B9R1.89 COC1CNCCNC1 77722 [0,1,0,0,0,1|1,0,0]=3 544 B9R1.89 CO[C@H]1CCCNCC1 37044 [0,1,0,0,0,1|1,0,0]=3 545 B9R1.89 CO[C@H]1CCCNCC1 37045 [0,1,0,0,0,1|1,0,0]=3 546 B9R1.89 N#CC1CCCCCC1 F53544 [0,1,0,0,0,1|1,0,1]=4 547 B9R1.89 N#C[C@H]1CCCNCC1 P13588 [0,1,0,0,0,1|1,0,1]=4 548 B9R1.89 NNC1CCCCCC1 AB1363 [0,1,0,0,0,1|2,0,0]=4 549 B9R1.89 OC[C@H]1CCCCCN1 C12372 [0,1,0,0,0,1|0,0,0]=2 550 B9R1.89 OC[C@H]1CCCCNC1 P12855 [0,1,0,0,0,1|0,0,0]=2 551 B9R1.89 OC[C@H]1CNCCCO1 32212 [0,1,0,0,0,1|1,0,0]=3 552 B9R1.89 OC[C@H]1CNCCCO1 53535 [0,1,0,0,0,1|1,0,0]=3 553 B9R1.148 CC1(C)CCCNCC1 W15420 [0,1,0,0,0,1|1,0,0]=3 554 B9R1.148 FC1(F)CCCCNC1 73035 [0,1,0,0,0,1|1,0,0]=3 555 B9R1.148 FC1(F)CCCNCC1 37043 [0,1,0,0,0,1|2,0,0]=4 556 B9R1.148 FC1(F)CNCCNC1 D76165 [0,1,0,0,0,1|2,0,0]=4 557 B9R1.148 FC1(F)CNCCNC1 W12520 [0,1,0,0,0,1|2,0,0]=4 558 B9R1.148 FC1(F)CNCCOC1 72758 [0,1,0,0,0,1|2,0,0]=4 559 B9R1.1 C=C1CCC(CO)CC1 F13032 [0,2,0,0,0,0|1,0,1]=4 560 B9R1.1 CC1CCC(CO)CN1 72671 [0,2,0,0,0,0|0,0,0]=2 561 B9R1.1 CC1CCC(CO)NC1 73032 [0,2,0,0,0,0|0,0,0]=2 562 B9R1.1 CCN1CCC(N)CC1 W15425 [0,2,0,0,0,0|2,0,0]=4 563 B9R1.1 CC[C@H]1CC[C@H](O)CC1 F19617 [0,2,0,0,0,0|1,0,0]=3 564 B9R1.1 CN1CCC(CBr)CC1 84194 [0,2,0,0,0,0|2,0,0]=4 565 B9R1.1 CN1CCC(CN)CC1 BL002502 [0,2,0,0,0,0|2,0,0]=4 566 B9R1.1 CN1CCC(NN)CC1 AT19390 [0,2,0,0,0,0|2,0,0]=4 567 B9R1.1 CNC1CCC(N)CC1 CS1725 [0,2,0,0,0,0|1,0,0]=3 568 B9R1.1 CN[C@H]1CC[C@@H](O)CC1 38918 [0,2,0,0,0,0|1,0,0]=3 569 B9R1.1 CN[C@H]1CC[C@@H](O)CC1 C77279 [0,2,0,0,0,0|1,0,0]=3 570 B9R1.1 CN[C@H]1CC[C@H](O)CC1 C77158 [0,2,0,0,0,0|1,0,0]=3 571 B9R1.1 COC1CCC(N)CC1 26413 [0,2,0,0,0,0|1,0,0]=3 572 B9R1.1 CO[C@H]1CC[C@@H](N)CC1 S11590 [0,2,0,0,0,0|1,0,0]=3 573 B9R1.1 CO[C@H]1CC[C@@H](N)CC1 S11591 [0,2,0,0,0,0|1,0,0]=3 574 B9R1.1 CO[C@H]1CC[C@H](N)CC1 S11822 [0,2,0,0,0,0|1,0,0]=3 575 B9R1.1 CO[C@H]1CC[C@H](O)CC1 D84292 [0,2,0,0,0,0|1,0,0]=3 576 B9R1.1 C[C@@H]1CC[C@H](C#N)CN1 W11743 [0,2,0,0,0,0|0,0,0]=2 577 B9R1.1 C[C@@H]1CC[C@H](CO)CN1 P15861 [0,2,0,0,0,0|0,0,0]=2 578 B9R1.1 C[C@@H]1CN[C@@H](CO)CN1 90048 [0,2,0,0,0,0|1,0,0]=3 579 B9R1.1 C[C@@H]1CN[C@@H](CO)CN1 AT10023 [0,2,0,0,0,0|1,0,0]=3 580 B9R1.1 N#CC1CCC(N)CC1 F52727 [0,2,0,0,0,0|1,0,1]=4 581 B9R1.1 N#CC1CCC(O)CC1 26849 [0,2,0,0,0,0|1,0,1]=4 582 B9R1.1 N#C[C@H]1CC[C@@H](N)CC1 AT13196 [0,2,0,0,0,0|1,0,1]=4 583 B9R1.1 N#C[C@H]1CC[C@H](N)CC1 AT13199 [0,2,0,0,0,0|1,0,1]=4 584 B9R1.1 NCC1CCC(=O)CC1 56684 [0,2,0,0,0,0|1,0,1]=4 585 B9R1.1 NC[C@H]1CCC(=O)NC1 37820 [0,2,0,0,0,0|1,0,1]=4 586 B9R1.1 NC[C@H]1CC[C@@H](O)CC1 P14164 [0,2,0,0,0,0|1,0,0]=3 587 B9R1.1 NC[C@H]1CC[C@H](O)CC1 P14163 [0,2,0,0,0,0|1,0,0]=3 588 B9R1.1 N[C@H]1CC[C@@H](CO)CC1 39277 [0,2,0,0,0,0|1,0,0]=3 589 B9R1.1 O=C1CC[C@H](CO)CN1 C72773 [0,2,0,0,0,0|1,0,1]=4 590 B9R1.1 O=C1CN[C@@H](CF)CN1 D97270 [0,2,0,0,0,0|1,0,1]=4 591 B9R1.1 OC[C@H]1CC[C@@H](O)CC1 P19128 [0,2,0,0,0,0|1,0,0]=3 592 B9R1.1 OC[C@H]1CC[C@H](O)CC1 T72373 [0,2,0,0,0,0|1,0,0]=3 593 B9R1.2 CCN1CCN[C@@H](C)C1 Y13520 [0,2,0,0,0,0|1,0,0]=3 594 B9R1.2 CC[C@H]1CC(=O)CCO1 73975 [0,2,0,0,0,0|1,0,1]=4 595 B9R1.2 CC[C@H]1CN(C)CCN1 P20253 [0,2,0,0,0,0|1,0,0]=3 596 B9R1.2 CC[C@H]1CN(C)CCN1 P20610 [0,2,0,0,0,0|1,0,0]=3 597 B9R1.2 CC[C@H]1CNCC(=O)N1 D97274 [0,2,0,0,0,0|1,0,1]=4 598 B9R1.2 CN1CCC[C@H](CN)C1 37194 [0,2,0,0,0,0|2,0,0]=4 599 B9R1.2 CN1CCC[C@H](CN)C1 P11114 [0,2,0,0,0,0|2,0,0]=4 600 B9R1.2 CN1CCN[C@@H](CO)C1 P18089 [0,2,0,0,0,0|1,0,0]=3 601 B9R1.2 CN1CCO[C@@H](CN)C1 72736 [0,2,0,0,0,0|2,0,0]=4 602 B9R1.2 CN1CCO[C@@H](CO)C1 77632 [0,2,0,0,0,0|2,0,0]=4 603 B9R1.2 CN1CCO[C@@H](CO)C1 77633 [0,2,0,0,0,0|2,0,0]=4 604 B9R1.2 CO[C@H]1CCC[C@@H](N)C1 D96541 [0,2,0,0,0,0|1,0,0]=3 605 B9R1.2 N#C[C@H]1CCNC(=O)C1 W16380 [0,2,0,0,0,0|1,0,1]=4 606 B9R1.2 NC1CCOC(CO)C1 D79017 [0,2,0,0,0,0|1,0,0]=3 607 B9R1.2 NC[C@H]1CCNC(=O)C1 37084 [0,2,0,0,0,0|1,0,1]=4 608 B9R1.2 NC[C@H]1CCNC(=O)C1 72532 [0,2,0,0,0,0|1,0,1]=4 609 B9R1.2 N[C@H]1CCC[C@H](CO)C1 D79005 [0,2,0,0,0,0|1,0,0]=3 610 B9R1.2 O=C1CCC[C@H](CO)C1 Y10198 [0,2,0,0,0,0|1,0,1]=4 611 B9R1.2 O=C1CCC[C@H](CO)N1 Y14667 [0,2,0,0,0,0|0,0,1]=3 612 B9R1.2 O=C1COC[C@H](CO)N1 O11304 [0,2,0,0,0,0|1,0,1]=4 613 B9R1.2 O=C1C[C@@H](CO)CCN1 37567 [0,2,0,0,0,0|1,0,1]=4 614 B9R1.2 OCC1CNCC(F)C1 72782 [0,2,0,0,0,0|2,0,0]=4 615 B9R1.6 CC(=O)[C@@H]1CNCCO1 90399 [0,2,0,0,0,0|2,0,0]=4 616 B9R1.6 CC(C)C1CCNCC1 T72018 [0,2,0,0,0,0|2,0,0]=4 617 B9R1.6 CC(C)[C@@H]1CNCCO1 36446 [0,2,0,0,0,0|2,0,0]=4 618 B9R1.6 CC(C)[C@@H]1CNCCO1 C72697 [0,2,0,0,0,0|2,0,0]=4 619 B9R1.6 CN(C)[C@H]1CCCNC1 P19624 [0,2,0,0,0,0|2,0,0]=4 620 B9R1.6 CN(C)[C@H]1CCCNC1 S11097 [0,2,0,0,0,0|2,0,0]=4 621 B9R1.6 C[C@H](N)C1CCCCC1 N11990 [0,2,0,0,0,0|1,0,0]=3 622 B9R1.6 C[C@H](N)C1CCOCC1 52485 [0,2,0,0,0,0|2,0,0]=4 623 B9R1.6 C[C@H](N)C1CCOCC1 52508 [0,2,0,0,0,0|2,0,0]=4 624 B9R1.6 C[C@H](N)C1CCOCC1 53162 [0,2,0,0,0,0|2,0,0]=4 625 B9R1.6 C[C@H](O)C1CCNCC1 50851 [0,2,0,0,0,0|2,0,0]=4 626 B9R1.6 C[C@H](O)C1CCOCC1 72533 [0,2,0,0,0,0|2,0,0]=4 627 B9R1.6 C[C@H](O)C1CCOCC1 D96636 [0,2,0,0,0,0|2,0,0]=4 628 B9R1.6 FC(F)C1CCNCC1 38478 [0,2,0,0,0,0|2,0,0]=4 629 B9R1.6 FC(F)[C@H]1CCCNC1 S11388 [0,2,0,0,0,0|2,0,0]=4 630 B9R1.6 O=C(O)[C@@H]1CCCCO1 P15808 [0,2,0,0,0,0|1,0,1]=4 631 B9R1.6 O=C(O)[C@@H]1CCCCO1 P16420 [0,2,0,0,0,0|1,0,1]=4 632 B9R1.6 O=C(O)[C@@H]1CNCCN1 P16892 [0,2,0,0,0,0|1,0,1]=4 633 B9R1.6 O=C(O)[C@@H]1COCCN1 24948 [0,2,0,0,0,0|1,0,1]=4 634 B9R1.6 O=C(O)[C@@H]1COCCN1 70235 [0,2,0,0,0,0|1,0,1]=4 635 B9R1.6 O=C(O)[C@@H]1COCCN1 70713 [0,2,0,0,0,0|1,0,1]=4 636 B9R1.6 O=C(O)[C@@H]1CSCCN1 66696 [0,2,0,0,0,0|1,0,1]=4 637 B9R1.6 O=C(O)[C@@H]1CSCCN1 77693 [0,2,0,0,0,0|1,0,1]=4 638 B9R1.6 O=C(O)[C@H]1NCCCS1 C76501 [0,2,0,0,0,0|1,0,1]=4 639 B9R1.8 BrCCC1CCNCC1 AC8208 [0,2,0,0,0,0|2,0,0]=4 640 B9R1.8 BrCCC1CCOCC1 56518 [0,2,0,0,0,0|2,0,0]=4 641 B9R1.8 BrCCN1CCCCC1 O10261 [0,2,0,0,0,0|2,0,0]=4 642 B9R1.8 BrCCN1CCCCO1 72888 [0,2,0,0,0,0|2,0,0]=4 643 B9R1.8 CCO[C@@H]1CNCCO1 Y10945 [0,2,0,0,0,0|2,0,0]=4 644 B9R1.8 CNCC1CCCCC1 F20557 [0,2,0,0,0,0|1,0,0]=3 645 B9R1.8 CNCC1CCNCC1 28113 [0,2,0,0,0,0|2,0,0]=4 646 B9R1.8 CNC[C@H]1CCCOC1 P11000 [0,2,0,0,0,0|2,0,0]=4 647 B9R1.8 CNC[C@H]1CCCOC1 P16260 [0,2,0,0,0,0|2,0,0]=4 648 B9R1.8 CNC[C@H]1CNCCO1 AB1528 [0,2,0,0,0,0|2,0,0]=4 649 B9R1.8 CNC[C@H]1COCCO1 AC1133 [0,2,0,0,0,0|2,0,0]=4 650 B9R1.8 CNC[C@H]1COCCO1 F31295 [0,2,0,0,0,0|2,0,0]=4 651 B9R1.8 CNC[C@H]1COCCO1 F51993 [0,2,0,0,0,0|2,0,0]=4 652 B9R1.8 CNC[C@H]1COCCO1 F51998 [0,2,0,0,0,0|2,0,0]=4 653 B9R1.8 COC[C@H]1CCCCN1 39467 [0,2,0,0,0,0|0,0,0]=2 654 B9R1.8 COC[C@H]1CCCCN1 71896 [0,2,0,0,0,0|0,0,0]=2 655 B9R1.8 COC[C@H]1CCCNC1 F11112 [0,2,0,0,0,0|2,0,0]=4 656 B9R1.8 COC[C@H]1CNCCO1 77670 [0,2,0,0,0,0|2,0,0]=4 657 B9R1.8 COC[C@H]1CNCCO1 77672 [0,2,0,0,0,0|2,0,0]=4 658 B9R1.8 COC[C@H]1COCCN1 77667 [0,2,0,0,0,0|1,0,0]=3 659 B9R1.8 COC[C@H]1COCCN1 77668 [0,2,0,0,0,0|1,0,0]=3 660 B9R1.8 COC[C@H]1COCCN1 77669 [0,2,0,0,0,0|1,0,0]=3 661 B9R1.8 ClCCC1CCNCC1 AC3007 [0,2,0,0,0,0|2,0,0]=4 662 B9R1.8 N#CCC1CCOCC1 H10074 [0,2,0,0,0,0|2,0,0]=4 663 B9R1.8 N#CC[C@H]1CNCCN1 P18202 [0,2,0,0,0,0|1,0,0]=3 664 B9R1.8 N#CC[C@H]1CNCCN1 P19845 [0,2,0,0,0,0|1,0,0]=3 665 B9R1.8 NCCC1CCCCC1 24486 [0,2,0,0,0,0|1,0,0]=3 666 B9R1.8 NCCC1CCCCC1 55664 [0,2,0,0,0,0|1,0,0]=3 667 B9R1.8 NCCC1CCOCC1 71435 [0,2,0,0,0,0|2,0,0]=4 668 B9R1.8 NCCC1CCSCC1 AC3550 [0,2,0,0,0,0|2,0,0]=4 669 B9R1.8 NCCN1CCCCO1 72735 [0,2,0,0,0,0|2,0,0]=4 670 B9R1.8 NNCC1CCOCC1 P12620 [0,2,0,0,0,0|2,0,0]=4 671 B9R1.8 O=CCC1CCCCC1 11388 [0,2,0,0,0,0|1,0,0]=3 672 B9R1.8 OCCC1CCOCC1 62381 [0,2,0,0,0,0|2,0,0]=4 673 B9R1.8 OCC[C@H]1CCCCN1 62347 [0,2,0,0,0,0|0,0,0]=2 674 B9R1.8 OCC[C@H]1CCCCN1 88407 [0,2,0,0,0,0|0,0,0]=2 675 B9R1.8 OCC[C@H]1CCCCN1 F30243 [0,2,0,0,0,0|0,0,0]=2 676 B9R1.8 OCC[C@H]1CCCNC1 W17542 [0,2,0,0,0,0|2,0,0]=4 677 B9R1.8 OCC[C@H]1CNCCN1 27755 [0,2,0,0,0,0|1,0,0]=3 678 B9R1.8 OCC[C@H]1CNCCO1 F13466 [0,2,0,0,0,0|2,0,0]=4 679 B9R1.15 CC1CCCCC1CN 72191 [0,2,0,0,0,0|1,0,0]=3 680 B9R1.15 CC1CCCNC1CO 72650 [0,2,0,0,0,0|0,0,0]=2 681 B9R1.15 CCN1CCNC[C@@H]1C Y13519 [0,2,0,0,0,0|1,0,0]=3 682 B9R1.15 CC[C@@H]1NCCCC1=O 63470 [0,2,0,0,0,0|0,0,1]=3 683 B9R1.15 CC[C@H]1CNCCN1C D83449 [0,2,0,0,0,0|1,0,0]=3 684 B9R1.15 CC[C@H]1CNCCN1C D83450 [0,2,0,0,0,0|1,0,0]=3 685 B9R1.15 CN1CCCC[C@@H]1CBr Y13498 [0,2,0,0,0,0|0,0,0]=2 686 B9R1.15 CN1CCCC[C@@H]1CCl F11618 [0,2,0,0,0,0|0,0,0]=2 687 B9R1.15 CN1CCCC[C@@H]1CN C72724 [0,2,0,0,0,0|0,0,0]=2 688 B9R1.15 CN1CCCC[C@@H]1CO O10154 [0,2,0,0,0,0|0,0,0]=2 689 B9R1.15 CN1CCCC[C@@H]1CO O10190 [0,2,0,0,0,0|0,0,0]=2 690 B9R1.15 CN1CCNC[C@@H]1CO D85973 [0,2,0,0,0,0|1,0,0]=3 691 B9R1.15 CN1CCOC[C@@H]1CO 77628 [0,2,0,0,0,0|1,0,0]=3 692 B9R1.15 CN1CCOC[C@@H]1CO 77629 [0,2,0,0,0,0|1,0,0]=3 693 B9R1.15 CN1CCOC[C@@H]1CO W17675 [0,2,0,0,0,0|1,0,0]=3 694 B9R1.15 CN[C@H]1CCCC[C@@H]1O D94629 [0,2,0,0,0,0|1,0,0]=3 695 B9R1.15 COC1CCCCC1N O10822 [0,2,0,0,0,0|1,0,0]=3 696 B9R1.15 CO[C@H]1CCCC[C@@H]1N 89667 [0,2,0,0,0,0|1,0,0]=3 697 B9R1.15 CO[C@H]1CCCC[C@@H]1N P19687 [0,2,0,0,0,0|1,0,0]=3 698 B9R1.15 CO[C@H]1CCCC[C@H]1N D96624 [0,2,0,0,0,0|1,0,0]=3 699 B9R1.15 CO[C@H]1CCCC[C@H]1N P20243 [0,2,0,0,0,0|1,0,0]=3 700 B9R1.15 CO[C@H]1CCCNC1=O O11031 [0,2,0,0,0,0|1,0,1]=4 701 B9R1.15 CO[C@H]1CCNC[C@@H]1O P15068 [0,2,0,0,0,0|2,0,0]=4 702 B9R1.15 CO[C@H]1COCCC1=O 37648 [0,2,0,0,0,0|2,0,0]=4 703 B9R1.15 CO[C@H]1COCC[C@@H]1N 37650 [0,2,0,0,0,0|2,0,0]=4 704 B9R1.15 CO[C@H]1COCC[C@@H]1N 37651 [0,2,0,0,0,0|2,0,0]=4 705 B9R1.15 CO[C@H]1COCC[C@@H]1N 37652 [0,2,0,0,0,0|2,0,0]=4 706 B9R1.15 CO[C@H]1COCC[C@H]1N 37649 [0,2,0,0,0,0|2,0,0]=4 707 B9R1.15 CSC1=NCCCN1C W17639 [0,2,0,0,0,0|1,0,1]=4 708 B9R1.15 NC[C@@H]1CCNC[C@@H]1O P20455 [0,2,0,0,0,0|2,0,0]=4 709 B9R1.15 NC[C@H]1CCNC[C@@H]1O P16383 [0,2,0,0,0,0|2,0,0]=4 710 B9R1.15 N[C@H]1CCCC[C@H]1CO P19621 [0,2,0,0,0,0|1,0,0]=3 711 B9R1.15 OCC1=C(Br)CCCC1 AC8357 [0,2,0,0,0,0|1,0,1]=4 712 B9R1.15 OCC1CCNCC1O 72831 [0,2,0,0,0,0|2,0,0]=4 713 B9R1.15 OCC1CNCCC1O 73026 [0,2,0,0,0,0|2,0,0]=4 714 B9R1.15 OC[C@@H]1CCNC[C@@H]1F P14143 [0,2,0,0,0,0|2,0,0]=4 715 B9R1.118 C#CC1(C)CCCCC1 D82488 [0,2,0,0,0,0|1,0,0]=3 716 B9R1.118 CC1(C#N)CCNCC1 53350 [0,2,0,0,0,0|2,0,0]=4 717 B9R1.118 CC1(C#N)CCOCC1 65991 [0,2,0,0,0,0|2,0,0]=4 718 B9R1.118 CC1(C=O)CCOCC1 P15595 [0,2,0,0,0,0|2,0,0]=4 719 B9R1.118 CC1(CO)CCNCC1 26607 [0,2,0,0,0,0|2,0,0]=4 720 B9R1.118 CC1(CO)CCOCC1 31610 [0,2,0,0,0,0|2,0,0]=4 721 B9R1.118 CCC1(N)CCCCC1 21224 [0,2,0,0,0,0|1,0,0]=3 722 B9R1.118 CCC1(N)CCOCC1 P16087 [0,2,0,0,0,0|2,0,0]=4 723 B9R1.118 COC1(C)CCNCC1 72328 [0,2,0,0,0,0|2,0,0]=4 724 B9R1.118 C[C@@]1(C#N)CNCCO1 F17640 [0,2,0,0,0,0|2,0,0]=4 725 B9R1.118 C[C@]1(C#N)CCCNC1 54086 [0,2,0,0,0,0|2,0,0]=4 726 B9R1.118 C[C@]1(CO)CCCNC1 38434 [0,2,0,0,0,0|2,0,0]=4 727 B9R1.118 C[C@]1(CO)CNCCN1 W17124 [0,2,0,0,0,0|1,0,0]=3 728 B9R1.118 FC1(CBr)CCOCC1 P18901 [0,2,0,0,0,0|2,0,0]=4 729 B9R1.118 NC1(CO)CCNCC1 P19134 [0,2,0,0,0,0|2,0,0]=4 730 B9R1.118 NC1(CO)CCOCC1 30407 [0,2,0,0,0,0|2,0,0]=4 731 B9R1.118 NC1(CO)CCSCC1 AC1096 [0,2,0,0,0,0|2,0,0]=4 732 B9R1.118 NCC1(F)CCCCC1 85745 [0,2,0,0,0,0|1,0,0]=3 733 B9R1.118 NCC1(F)CCOCC1 38680 [0,2,0,0,0,0|2,0,0]=4 734 B9R1.118 NCC1(O)CCOCC1 27391 [0,2,0,0,0,0|2,0,0]=4 735 B9R1.118 O=NC1(Cl)CCCCC1 F15290 [0,2,0,0,0,0|2,0,0]=4 736 B9R1.118 OC1(CF)CCNCC1 38477 [0,2,0,0,0,0|2,0,0]=4 737 B9R1.118 OCC1(F)CCNCC1 37479 [0,2,0,0,0,0|2,0,0]=4 738 B9R1.118 OCC1(F)CCOCC1 38679 [0,2,0,0,0,0|2,0,0]=4 739 B9R1.118 OCC1(O)CCNCC1 37483 [0,2,0,0,0,0|2,0,0]=4 740 B9R1.118 OCC1(O)CCNCC1 70872 [0,2,0,0,0,0|2,0,0]=4 741 B9R1.118 OC[C@]1(O)CCCNC1 38750 [0,2,0,0,0,0|2,0,0]=4 742 B9R1.10 CC1(C)CCC(N)CC1 F12447 [0,2,0,0,0,0|1,0,0]=3 743 B9R1.10 CC1(C)CNC(=O)CN1 P16103 [0,2,0,0,0,0|1,0,1]=4 744 B9R1.10 CC1(O)CCC(=O)CC1 F13738 [0,2,0,0,0,0|1,0,1]=4 745 B9R1.10 CC1(O)CCC(N)CC1 39273 [0,2,0,0,0,0|1,0,0]=3 746 B9R1.10 C[C@]1(N)CC[C@@H](O)CC1 P14556 [0,2,0,0,0,0|1,0,0]=3 747 B9R1.10 C[C@]1(N)CC[C@H](O)CC1 38877 [0,2,0,0,0,0|1,0,0]=3 748 B9R1.10 C[C@]1(O)CC[C@@H](N)CC1 39275 [0,2,0,0,0,0|1,0,0]=3 749 B9R1.10 C[C@]1(O)CC[C@@H](O)CC1 P15459 [0,2,0,0,0,0|1,0,0]=3 750 B9R1.10 C[C@]1(O)CC[C@H](N)CC1 39274 [0,2,0,0,0,0|1,0,0]=3 751 B9R1.10 C[C@]1(O)CC[C@H](N)CC1 D95191 [0,2,0,0,0,0|1,0,0]=3 752 B9R1.10 FC1(F)CCC(Br)CC1 P15388 [0,2,0,0,0,0|2,0,0]=4 753 B9R1.10 O=C1CCC(F)(F)CN1 P12393 [0,2,0,0,0,0|1,0,1]=4 754 B9R1.69 CC1CC(=O)CCC1O Y10041 [0,2,0,0,0,0|1,0,1]=4 755 B9R1.69 CC1CCC(C)C(=O)C1 T71472 [0,2,0,0,0,0|1,0,0]=3 756 B9R1.69 CN1CCC(F)C(N)C1 D97057 [0,2,0,0,0,0|2,0,0]=4 757 B9R1.69 CN1C[C@@H](N)CCC1=O 32330 [0,2,0,0,0,0|1,0,1]=4 758 B9R1.69 CN1C[C@@H](N)CCC1=O 37583 [0,2,0,0,0,0|1,0,1]=4 759 B9R1.69 C[C@H]1CN(C)C(=O)CN1 P10820 [0,2,0,0,0,0|1,0,1]=4 760 B9R1.69 C[C@H]1CN(C)C(=O)CN1 P17891 [0,2,0,0,0,0|1,0,1]=4 761 B9R1.69 C[C@H]1CN(C)C(=O)CN1 P17892 [0,2,0,0,0,0|1,0,1]=4 762 B9R1.69 C[C@H]1CN[C@H](C)CN1C 39080 [0,2,0,0,0,0|1,0,0]=3 763 B9R1.69 C[C@H]1CN[C@H](C)CN1C 39081 [0,2,0,0,0,0|1,0,0]=3 764 B9R1.69 C[C@H]1CN[C@H](C)CN1C W10089 [0,2,0,0,0,0|1,0,0]=3 765 B9R1.3 CN1CCC[C@H](Br)C1=O AC1744 [0,2,0,0,0,0|1,0,1]=4 766 B9R1.3 CN1CCC[C@H](N)C1=O 20395 [0,2,0,0,0,0|1,0,1]=4 767 B9R1.3 CN1CCC[C@H](N)C1=O 38730 [0,2,0,0,0,0|1,0,1]=4 768 B9R1.3 N[C@@H]1[C@@H](O)CCC[C@H]1O W13742 [0,2,0,0,0,0|2,0,0]=4 769 B9R1.34 CC1CC(=O)CC(C)N1 32785 [0,2,0,0,0,0|0,0,1]=3 770 B9R1.34 CC1CC(O)CC(C)N1 D78847 [0,2,0,0,0,0|0,0,0]=2 771 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)O1 P14153 [0,2,0,0,0,0|1,0,1]=4 772 B9R1.34 O[C@H]1C[C@@H](O)C[C@@H](O)C1 T70973 [0,2,0,0,0,0|2,0,0]=4 773 B9R1.66 CC1(C)CCCC(=O)N1 W17371 [0,2,0,0,0,0|0,0,1]=3 774 B9R1.66 CC1(C)CCC[C@H](N)C1 P17894 [0,2,0,0,0,0|1,0,0]=3 775 B9R1.66 CC1(C)CNCC(=O)N1 C91375 [0,2,0,0,0,0|1,0,1]=4 776 B9R1.66 CC1(C)C[C@@H](O)CCN1 Y10992 [0,2,0,0,0,0|0,0,0]=2 777 B9R1.66 CC1(C)C[C@@H](O)CCO1 86677 [0,2,0,0,0,0|1,0,0]=3 778 B9R1.66 C[C@H]1CC(F)(F)CCN1 37534 [0,2,0,0,0,0|0,0,0]=2 779 B9R1.66 N[C@H]1CCCC(F)(F)C1 36231 [0,2,0,0,0,0|2,0,0]=4 780 B9R1.66 N[C@H]1CCCC(F)(F)C1 P20961 [0,2,0,0,0,0|2,0,0]=4 781 B9R1.40 CC1(C)CCCNC1=O P19113 [0,2,0,0,0,0|1,0,1]=4 782 B9R1.40 CC1(C)CCCOC1=O 60202 [0,2,0,0,0,0|2,0,0]=4 783 B9R1.40 CC1(C)COCCC1=O P12769 [0,2,0,0,0,0|2,0,0]=4 784 B9R1.40 CC1(C)COCC[C@@H]1N P14562 [0,2,0,0,0,0|2,0,0]=4 785 B9R1.40 CC1(C)COCC[C@@H]1N P19386 [0,2,0,0,0,0|2,0,0]=4 786 B9R1.40 CN1CCNCC1(C)C A51168 [0,2,0,0,0,0|1,0,0]=3 787 B9R1.40 CN1CCNCC1(C)C S11179 [0,2,0,0,0,0|1,0,0]=3 788 B9R1.40 C[C@H]1CNCCC1(F)F 72941 [0,2,0,0,0,0|2,0,0]=4 789 B9R1.40 N[C@H]1CCCCC1(F)F 77892 [0,2,0,0,0,0|2,0,0]=4 790 B9R1.40 O=C1NCCCC1(F)F 50284 [0,2,0,0,0,0|1,0,1]=4 791 B7R1.6 CCNC1CCC1 W19308 [0,0,1,1,0,0|0,0,0]=2 792 B7R1.6 CCNC1COC1 32797 [0,0,1,1,0,0|1,0,0]=3 793 B7R1.6 CCOC1CNC1 C16603 [0,0,1,1,0,0|2,0,0]=4 794 B7R1.6 CNC[C@H]1CCO1 D96714 [0,0,1,1,0,0|2,0,0]=4 795 B7R1.6 COC[C@H]1CCN1 38829 [0,0,1,1,0,0|1,0,0]=3 796 B7R1.6 COC[C@H]1CCN1 P15803 [0,0,1,1,0,0|1,0,0]=3 797 B7R1.6 NCCC1CCC1 P10851 [0,0,1,1,0,0|2,0,0]=4 798 B7R1.6 OCCC1CCC1 32129 [0,0,1,1,0,0|2,0,0]=4 799 B7R1.6 OCC[C@H]1CCO1 P17680 [0,0,1,1,0,0|2,0,0]=4 800 B7R1.8 CC1NCC1C#N D96740 [0,0,1,1,0,0|1,0,1]=4 801 B7R1.10 CC1CC(CN)C1 72944 [0,0,1,1,0,0|2,0,0]=4 802 B7R1.10 CNC1CC(C)C1 72947 [0,0,1,1,0,0|0,0,0]=2 803 B7R1.10 CNC1CC(O)C1 37731 [0,0,1,1,0,0|1,0,0]=3 804 B7R1.10 CNC1CN(C)C1 38831 [0,0,1,1,0,0|1,0,0]=3 805 B7R1.10 CN[C@H]1C[C@@H](O)C1 P13897 [0,0,1,1,0,0|1,0,0]=3 806 B7R1.10 CN[C@H]1C[C@H](O)C1 38892 [0,0,1,1,0,0|1,0,0]=3 807 B7R1.10 COC1CC(N)C1 37221 [0,0,1,1,0,0|2,0,0]=4 808 B7R1.10 COC1CC(O)C1 R10063 [0,0,1,1,0,0|2,0,0]=4 809 B7R1.10 CO[C@H]1C[C@@H](N)C1 39167 [0,0,1,1,0,0|2,0,0]=4 810 B7R1.10 CO[C@H]1C[C@H](N)C1 39168 [0,0,1,1,0,0|2,0,0]=4 811 B7R1.21 CC1(CCO)CC1 P14058 [0,0,1,1,0,0|2,0,0]=4 812 B7R1.21 CCOC1(O)CC1 O10402 [0,0,1,1,0,0|2,0,0]=4 813 B7R1.22 CNC(=O)C1CC1 F14269 [0,0,1,1,0,0|1,0,1]=4 814 B7R1.25 CC1(CO)CCC1 90942 [0,0,1,1,0,0|2,0,0]=4 815 B7R1.25 CCC1(C)CNC1 D79218 [0,0,1,1,0,0|2,0,0]=4 816 B7R1.25 CNC1(C)COC1 39042 [0,0,1,1,0,0|1,0,0]=3 817 B7R1.25 C[C@]1(CN)CCO1 D79679 [0,0,1,1,0,0|2,0,0]=4 818 B7R1.25 C[C@]1(CN)CCO1 P20357 [0,0,1,1,0,0|2,0,0]=4 819 B7R1.25 C[C@]1(CO)CCN1 P18401 [0,0,1,1,0,0|1,0,0]=3 820 B7R1.7 OCCCC1CC1 F52480 [0,0,1,1,0,0|2,0,0]=4 821 B7R1.17 CC1(C)CC[C@@H]1N AT10475 [0,0,1,1,0,0|2,0,0]=4 822 B7R1.18 CC(C)C1CNC1 D79219 [0,0,1,1,0,0|2,0,0]=4 823 B7R1.18 C[C@H](N)C1CCC1 93060 [0,0,1,1,0,0|0,0,0]=2 824 B7R1.18 C[C@H](N)C1CCC1 93062 [0,0,1,1,0,0|0,0,0]=2 825 B7R1.18 C[C@H](O)C1COC1 P18451 [0,0,1,1,0,0|2,0,0]=4 826 B7R1.18 NC(=O)C1CCC1 20365 [0,0,1,1,0,0|1,0,1]=4 827 B7R1.20 C[C@H](O)CC1CC1 79072 [0,0,1,1,0,0|1,0,0]=3 828 B7R1.24 C1CNCCOC1 80062 [0,0,1,1,0,0|1,0,0]=3 829 B7R2.13 C1CC2CC2N1 33368 [1,0,0,1,0,0|0,0,0]=2 830 B7R2.13 C1NCC2CC12 80426 [1,0,0,1,0,0|0,0,0]=2 831 B7R2.11 C1NC2CC1C2 37897 [0,0,0,1,1,0|0,0,0]=2 832 B9R2.6 CC12CCCCC1O2 T71914 [0,0,0,1,0,1|1,0,0]=3 833 B9R2.6 CC12CCNCC1C2 P18749 [0,0,0,1,0,1|1,0,0]=3 834 B9R2.6 NC12CCCCC1C2 P18959 [0,0,0,1,0,1|2,0,0]=4 835 B9R2.33 CN1C[C@H]2CN[C@H]2C1 P15784 [0,0,0,1,0,1|2,0,0]=4 836 B9R2.33 CN1C[C@H]2CN[C@H]2C1 P15795 [0,0,0,1,0,1|2,0,0]=4 837 B9R2.68 C1CC2CCC(C1)N2 P12684 [0,0,0,1,0,1|2,0,0]=4 838 B9R2.68 C1CC2CCC(C2)N1 N13361 [0,0,0,1,0,1|0,0,0]=2 839 B9R2.68 C1CC2CNCC1C2 F53590 [0,0,0,1,0,1|0,0,0]=2 840 B9R2.68 C1CC2CNCC1O2 64984 [0,0,0,1,0,1|1,0,0]=3 841 B9R2.68 C1CC2COCC1N2 P12236 [0,0,0,1,0,1|2,0,0]=4 842 B9R2.68 C1CN2CCC(C2)N1 38913 [0,0,0,1,0,1|0,0,0]=2 843 B9R2.49 C1CC2CCC1CN2 20492 [0,1,0,1,0,0|0,0,0]=2 844 B9R2.49 C1CC2CCC1CN2 38592 [0,1,0,1,0,0|0,0,0]=2 845 B9R2.49 C1CC2CNC1CN2 30821 [0,1,0,1,0,0|0,0,0]=2 846 B9R2.49 C1C[C@@H]2CN[C@H]1CO2 P14533 [0,1,0,1,0,0|0,0,0]=2 847 B9R2.53 OC1[C@@H]2CNC[C@H]1C2 D97015 [0,1,0,1,0,0|2,0,0]=4 848 B9R2.56 OCC12CNCC1C2 38677 [0,1,0,1,0,0|2,0,0]=4 849 B9R2.56 OCC12COCC1C2 D79110 [0,1,0,1,0,0|2,0,0]=4 850 B9R2.65 OCC1C2COCC12 69809 [0,1,0,1,0,0|2,0,0]=4 851 B9R2.65 OC[C@@H]1[C@@H]2COC[C@@H]21 P14535 [0,1,0,1,0,0|2,0,0]=4 852 B9R2.65 OC[C@@H]1[C@H]2CNC[C@H]21 37491 [0,1,0,1,0,0|2,0,0]=4 853 B9R2.65 OC[C@H]1[C@@H]2COC[C@H]12 37929 [0,1,0,1,0,0|2,0,0]=4 854 B9R2.70 N#CC1NCC2CC21 38514 [0,1,0,1,0,0|0,0,1]=3 855 B9R2.174 C1CCC2(CC2)NC1 82073 [0,1,0,1,0,0|0,0,0]=2 856 B9R2.174 C1CNC2(CC2)CN1 38355 [0,1,0,1,0,0|1,0,0]=3 857 B9R2.174 C1CNC2(CC2)CN1 82062 [0,1,0,1,0,0|1,0,0]=3 858 B9R2.174 C1CNCC2(C1)CC2 85765 [0,1,0,1,0,0|2,0,0]=4 859 B9R2.174 C1COC2(CC2)CN1 80461 [0,1,0,1,0,0|2,0,0]=4 860 B9R2.110 NC12CCC(CC1)C2 W16245 [0,1,0,1,0,0|1,0,0]=3 861 B9R2.8 CN1CC2CC(C1)N2 P17468 [0,1,0,1,0,0|1,0,0]=3 862 B9R2.8 NC1CC2CC(C1)C2 P20288 [0,1,0,1,0,0|1,0,0]=3 863 B9R2.39 CN1C[C@@H]2C[C@H]1CN2 33334 [0,1,0,1,0,0|1,0,0]=3 864 B9R2.39 CN1C[C@@H]2C[C@H]1CN2 38366 [0,1,0,1,0,0|1,0,0]=3 865 B9R2.39 CN1C[C@@H]2C[C@H]1CN2 P13880 [0,1,0,1,0,0|1,0,0]=3 866 B9R2.39 FC1CC2CNC1C2 P20401 [0,1,0,1,0,0|0,0,0]=2 867 B9R2.39 N[C@H]1C[C@@H]2CC[C@H]1C2 F16498 [0,1,0,1,0,0|1,0,0]=3 868 B9R2.39 O=C1CC2CC1CN2 D84847 [0,1,0,1,0,0|0,0,1]=3 869 B9R2.39 O=C1NC2CCC1C2 W18193 [0,1,0,1,0,0|0,0,1]=3 870 B9R2.39 O=C1N[C@H]2CC[C@@H]1C2 86118 [0,1,0,1,0,0|0,0,1]=3 871 B9R2.39 O=C1N[C@H]2CC[C@@H]1C2 D96860 [0,1,0,1,0,0|0,0,1]=3 872 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 I11656 [0,1,0,1,0,0|1,0,1]=4 873 B9R2.39 OC1CC2CC1CN2 P15330 [0,1,0,1,0,0|0,0,0]=2 874 B9R2.39 OC1CC2CNC1C2 P20346 [0,1,0,1,0,0|0,0,0]=2 875 B9R2.39 O[C@H]1C[C@H]2CC[C@@H]1C2 P19938 [0,1,0,1,0,0|1,0,0]=3 876 B9R2.95 CC1(C)C2CNCC21 P11584 [0,1,0,1,0,0|2,0,0]=4 877 B5R1.1 C1CNNC1 26256 [1,0,0,0,1,0|1,0,0]=3 878 B5R1.1 C1COCN1 A51210 [1,0,0,0,1,0|1,0,0]=3 879 B5R1.2 C[C@H]1CCN1 98100 [0,0,0,0,2,0|0,0,0]=2 880 B5R1.2 C[C@H]1CCN1 P21034 [0,0,0,0,2,0|0,0,0]=2 881 B5R1.2 ClC1CCC1 T70092 [0,0,0,0,2,0|1,0,0]=3 882 B5R1.2 ClC1CNC1 37968 [0,0,0,0,2,0|2,0,0]=4 883 B5R1.2 ClC1COC1 CS1986 [0,0,0,0,2,0|2,0,0]=4 884 B5R1.2 FC1CNC1 SC2901 [0,0,0,0,2,0|2,0,0]=4 885 B5R1.2 IC1CCC1 P17114 [0,0,0,0,2,0|1,0,0]=3 886 B5R1.2 NC1CSC1 39038 [0,0,0,0,2,0|2,0,0]=4 887 B5R1.2 SC1CNC1 38596 [0,0,0,0,2,0|2,0,0]=4 888 B5R1.2 SC1COC1 32902 [0,0,0,0,2,0|2,0,0]=4 889 B9R1.50 O=C1CNCCCNC1 77720 [0,0,0,0,0,2|1,0,1]=4 890 B9R1.50 O=C1NCCCCCN1 W17640 [0,0,0,0,0,2|1,0,1]=4 891 B9R1.50 OC1CNCCCNC1 77719 [0,0,0,0,0,2|1,0,0]=3 892 B9R1.50 O[C@@H]1C=CCCCCC1 AT23384 [0,0,0,0,0,2|2,0,0]=4 893 B9R1.50 O[C@@H]1CCC=CCCC1 C76726 [0,0,0,0,0,2|2,0,0]=4