0 B5R0.2 CSCCCCl Y14621 [1,0,0,0,0,0|2,0,1]=4 1 B5R0.2 NC\C=C/CN C13830 [1,0,0,0,0,0|2,0,0]=3 2 B7R0.3 COC(=O)\C=C\CN AT20735 [0,1,0,0,0,0|2,0,1]=4 3 B7R1.1 CC[C@H]1CCCN1 Y11636 [0,0,0,1,0,0|1,0,2]=4 4 B7R1.1 CC[C@H]1CCNC1 P14868 [0,0,0,1,0,0|2,0,1]=4 5 B7R1.1 OCC1=NSC=C1 AT21123 [0,0,0,1,0,0|2,0,1]=4 6 B7R1.1 OC[C@@H]1C=CCC1 74782 [0,0,0,1,0,0|0,0,2]=3 7 B7R1.4 CN1CC=CC1=O N13365 [0,0,0,1,0,0|1,0,2]=4 8 B7R1.4 C[C@@H]1NCC[C@@H]1O C77439 [0,0,0,1,0,0|1,0,2]=4 9 B7R1.4 C[C@H]1NCC[C@@H]1O AT22501 [0,0,0,1,0,0|1,0,2]=4 10 B7R1.4 C[C@H]1NCC[C@@H]1O P21062 [0,0,0,1,0,0|1,0,2]=4 11 B7R1.4 N[C@@H]1COC[C@@H]1O P16454 [0,0,0,1,0,0|2,0,1]=4 12 B7R1.4 O[C@@H]1CNC[C@@H]1F P15723 [0,0,0,1,0,0|2,0,1]=4 13 B7R1.6 BrCC[C@H]1CCO1 D79156 [0,0,0,1,0,0|1,0,2]=4 14 B7R1.6 ICC[C@H]1CCO1 D79155 [0,0,0,1,0,0|1,0,2]=4 15 B7R1.6 NCC[C@H]1CCO1 D79157 [0,0,0,1,0,0|1,0,2]=4 16 B7R1.6 NCC[C@H]1CCO1 P17247 [0,0,0,1,0,0|1,0,2]=4 17 B7R1.6 OCC[C@H]1CCO1 D84844 [0,0,0,1,0,0|1,0,2]=4 18 B7R1.6 OCC[C@H]1CCO1 P19429 [0,0,0,1,0,0|1,0,2]=4 19 B7R1.8 OCC1CCC1F P19725 [0,0,0,1,0,0|1,0,2]=4 20 B7R1.8 OCC1CCC1O P20965 [0,0,0,1,0,0|1,0,2]=4 21 B4R0.2 CNCCF AC6046 [2,0,0,0,0,0|2,0,0]=4 22 B6R0.4 C[C@H](Cl)CCCO AC5969 [1,1,0,0,0,0|0,0,1]=3 23 B6R0.4 O=C(O)\C=C\CF AT12709 [1,1,0,0,0,0|1,0,1]=4 24 B6R0.4 O=C(O)\C=C\CO AT11505 [1,1,0,0,0,0|1,0,1]=4 25 B8R0.4 NCCCCCCCO D74762 [0,2,0,0,0,0|0,0,2]=4 26 B6R1.4 C[C@@H]1NC[C@@H]1O P18431 [1,0,0,1,0,0|1,0,1]=4 27 B6R1.4 C[C@@H]1NC[C@@H]1O P18432 [1,0,0,1,0,0|1,0,1]=4 28 B6R1.4 C[C@@H]1NC[C@@H]1O P18433 [1,0,0,1,0,0|1,0,1]=4 29 B6R1.4 N[C@H]1CC[C@@H]1O D72719 [1,0,0,1,0,0|1,0,1]=4 30 B6R1.4 N[C@H]1CC[C@@H]1O P20951 [1,0,0,1,0,0|1,0,1]=4 31 B6R1.4 N[C@H]1CC[C@@H]1O P20952 [1,0,0,1,0,0|1,0,1]=4 32 B6R1.4 O[C@H]1CC[C@H]1O AT10951 [1,0,0,1,0,0|1,0,1]=4 33 B6R1.6 NC[C@H]1CCO1 P21081 [1,0,0,1,0,0|1,0,1]=4 34 B6R1.8 C[C@@H]1C[C@@H]1CO 55221 [1,0,0,1,0,0|0,0,1]=3 35 B8R1.2 OC[C@H]1CCCCO1 92919 [0,1,0,1,0,0|0,0,2]=4 36 B8R1.2 OC[C@H]1CCCCO1 P13405 [0,1,0,1,0,0|0,0,2]=4 37 B8R1.2 OC[C@H]1CCCOC1 P13406 [0,1,0,1,0,0|0,0,2]=4 38 B8R1.2 OC[C@H]1CCCOC1 P13407 [0,1,0,1,0,0|0,0,2]=4 39 B8R1.5 C[C@@H]1CCNC[C@@H]1O 72843 [0,1,0,1,0,0|0,0,2]=4 40 B8R1.5 C[C@H]1CNCC[C@@H]1O P21141 [0,1,0,1,0,0|0,0,2]=4 41 B8R1.5 C[C@H]1NCCC[C@@H]1O D96985 [0,1,0,1,0,0|0,0,2]=4 42 B8R1.5 C[C@H]1NCCC[C@@H]1O D96986 [0,1,0,1,0,0|0,0,2]=4 43 B8R1.5 N[C@@H]1CCOC[C@@H]1O 38663 [0,1,0,1,0,0|1,0,1]=4 44 B8R1.5 N[C@@H]1CCOC[C@@H]1O P15155 [0,1,0,1,0,0|1,0,1]=4 45 B8R1.5 O[C@@H]1CNCC[C@@H]1F P15157 [0,1,0,1,0,0|1,0,1]=4 46 B8R1.5 O[C@@H]1CNCC[C@@H]1F P15750 [0,1,0,1,0,0|1,0,1]=4 47 B8R1.5 [BH3-]C1=CCCC[C@@H]1C AC8574 [0,1,0,1,0,0|1,0,0]=3 48 B8R1.8 CNCC1=NC=CO1 66406 [0,1,0,1,0,0|1,0,1]=4 49 B8R1.10 OCCCC1CNC1 D96736 [0,1,0,1,0,0|0,0,2]=4 50 B8R1.11 CC1CCCC1CO 72730 [0,1,0,1,0,0|0,0,2]=4 51 B8R1.11 CCN1N=CC=C1O AT26527 [0,1,0,1,0,0|1,0,1]=4 52 B8R1.11 CO[C@H]1CNC[C@@H]1O P19984 [0,1,0,1,0,0|1,0,1]=4 53 B8R1.11 CO[C@H]1CNC[C@H]1O P19606 [0,1,0,1,0,0|1,0,1]=4 54 B8R1.11 C[C@@H]1NCC[C@@H]1CO 73106 [0,1,0,1,0,0|0,0,2]=4 55 B8R1.11 C[C@@H]1OCC[C@@H]1CO 73087 [0,1,0,1,0,0|0,0,2]=4 56 B8R1.11 C[C@H]1CNC[C@@H]1CO P18720 [0,1,0,1,0,0|0,0,2]=4 57 B8R1.11 OC[C@H]1NCC[C@@H]1O 95527 [0,1,0,1,0,0|1,0,1]=4 58 B8R1.12 OC[C@H]1CC[C@@H]1CO AT20082 [0,1,0,1,0,0|0,0,2]=4 59 B8R1.22 C[C@H]1CCOCCN1 C90344 [0,1,0,1,0,0|1,0,1]=4 60 B8R1.22 N[C@H]1CCCOCC1 33401 [0,1,0,1,0,0|0,0,2]=4 61 B8R1.49 C1=CCCC=CCC1 F10040 [0,1,0,1,0,0|1,0,1]=4 62 B8R1.1 CC1CCC(CO)C1 72724 [0,1,0,1,0,0|0,0,2]=4 63 B8R1.1 C[C@H]1CN[C@@H](CO)C1 87742 [0,1,0,1,0,0|1,0,1]=4 64 B8R1.1 OC[C@H]1C[C@H](F)CN1 73103 [0,1,0,1,0,0|1,0,1]=4 65 B8R1.1 OC[C@H]1C[C@H](F)CN1 D79543 [0,1,0,1,0,0|1,0,1]=4 66 B8R1.3 C[C@@H]1CC[C@H](O)CN1 73248 [0,1,0,1,0,0|1,0,1]=4 67 B8R1.3 C[C@H]1CCC(=O)CN1 P20466 [0,1,0,1,0,0|1,0,1]=4 68 B8R1.3 C[C@H]1CCC(=O)CN1 P20467 [0,1,0,1,0,0|1,0,1]=4 69 B8R1.3 C[C@H]1CO[C@@H](C)CN1 C73501 [0,1,0,1,0,0|1,0,1]=4 70 B8R1.38 C[C@@H](CO)N1CCC1 P19737 [0,1,0,1,0,0|1,0,1]=4 71 B8R1.38 N[C@@H](CO)C1CCC1 D85247 [0,1,0,1,0,0|0,0,2]=4 72 B8R1.38 N[C@@H](CO)C1CCC1 N11336 [0,1,0,1,0,0|0,0,2]=4 73 B8R1.38 N[C@@H](CO)C1CCC1 Y14566 [0,1,0,1,0,0|0,0,2]=4 74 B8R1.38 O=C(CCl)C1CCC1 P19145 [0,1,0,1,0,0|1,0,1]=4 75 B8R1.40 N[C@H](CO)CC1CC1 Y14036 [0,1,0,1,0,0|0,0,2]=4 76 B8R1.4 C[C@H]1CC(=O)CCO1 P13205 [0,1,0,1,0,0|0,0,1]=3 77 B8R1.4 C[C@H]1CCCC(=O)N1 D85681 [0,1,0,1,0,0|2,0,0]=4 78 B8R1.4 NN1CCC[C@H](O)C1 Y14768 [0,1,0,1,0,0|1,0,1]=4 79 B8R1.4 N[C@@H]1CCC[C@H](O)C1 AT10758 [0,1,0,1,0,0|0,0,2]=4 80 B8R1.4 N[C@@H]1CCC[C@H](O)C1 D77153 [0,1,0,1,0,0|0,0,2]=4 81 B8R1.4 N[C@H]1CCC[C@H](O)C1 C73496 [0,1,0,1,0,0|0,0,2]=4 82 B8R1.4 O[C@@H]1C=C(Br)COC1 P19693 [0,1,0,1,0,0|1,0,0]=3 83 B8R1.4 O[C@@H]1CNC[C@@H](O)C1 P19870 [0,1,0,1,0,0|1,0,1]=4 84 B8R1.4 O[C@@H]1CNC[C@H](O)C1 C77406 [0,1,0,1,0,0|1,0,1]=4 85 B8R1.6 NC1CN(CCO)C1 P18354 [0,1,0,1,0,0|1,0,1]=4 86 B8R1.7 C[C@H](N)C1=CC=CO1 Y14798 [0,1,0,1,0,0|0,0,2]=4 87 B8R1.19 CC1(C)CNC[C@@H]1O W16893 [0,1,0,1,0,0|1,0,1]=4 88 B8R1.72 C[C@]1(O)CCCNC1 AT10307 [0,1,0,1,0,0|1,0,1]=4 89 B8R1.72 C[C@]1(O)CCCNC1 D97149 [0,1,0,1,0,0|1,0,1]=4 90 B8R2.23 C1NCC2CC1O2 W19453 [0,0,0,2,0,0|1,0,1]=4 91 B8R2.25 C1COC2CC2N1 C72423 [0,0,0,2,0,0|1,0,1]=4 92 B8R2.38 O[C@H]1CC[C@@H]2C[C@H]12 D96571 [0,0,0,2,0,0|0,0,2]=4