0 B5R0.2 CSCCCCl Y14621 [1,0,0,0,0,0|2,0,1]=4 1 B5R0.2 N#CCCC=O F20778 [1,0,0,0,0,0|2,0,1]=4 2 B5R0.3 C=C[C@@H](N)CC 68012 [1,0,0,0,0,0|1,0,0]=2 3 B5R0.3 C=C[C@@H](N)CO Y14326 [1,0,0,0,0,0|2,0,0]=3 4 B7R0.7 CCC[C@H](N)CC#N Y14537 [0,1,0,0,0,0|1,0,2]=4 5 B7R0.11 CCC[C@](C)(N)CO D75112 [0,1,0,0,0,0|2,0,1]=4 6 B7R0.11 C[C@@](O)(CO)CCO A11223 [0,1,0,0,0,0|2,0,1]=4 7 B7R1.1 C#C[C@@H]1CCCN1 86321 [0,0,0,1,0,0|1,0,2]=4 8 B7R1.1 C#C[C@@H]1CCCN1 C90741 [0,0,0,1,0,0|1,0,2]=4 9 B7R1.1 CC[C@H]1CCCN1 Y11636 [0,0,0,1,0,0|1,0,2]=4 10 B7R1.2 C[C@@H]1C[C@H](O)CN1 W10042 [0,0,0,1,0,0|1,0,1]=3 11 B7R1.2 C[C@H]1C[C@H](F)CN1 W10043 [0,0,0,1,0,0|2,0,1]=4 12 B7R1.2 C[C@H]1C[C@H](O)CN1 P15836 [0,0,0,1,0,0|1,0,1]=3 13 B7R1.2 C[C@H]1C[C@H](O)CN1 W10041 [0,0,0,1,0,0|1,0,1]=3 14 B7R1.2 N[C@H]1CC[C@H](O)C1 31095 [0,0,0,1,0,0|1,0,2]=4 15 B7R1.2 N[C@H]1CC[C@H](O)C1 P11035 [0,0,0,1,0,0|1,0,2]=4 16 B7R1.2 N[C@H]1CC[C@H](O)C1 W10025 [0,0,0,1,0,0|1,0,2]=4 17 B7R1.2 O=C1C=C[C@@H](O)C1 86273 [0,0,0,1,0,0|1,0,1]=3 18 B7R1.2 O[C@H]1CC[C@H](O)C1 P18410 [0,0,0,1,0,0|1,0,2]=4 19 B7R1.4 BrC1CCCC1Br D96921 [0,0,0,1,0,0|2,0,1]=4 20 B7R1.4 C[C@@H]1NCC[C@@H]1O C77439 [0,0,0,1,0,0|1,0,2]=4 21 B7R1.4 C[C@H]1CCNC1=O D72754 [0,0,0,1,0,0|3,0,0]=4 22 B7R1.4 C[C@H]1NCC[C@@H]1O AT22501 [0,0,0,1,0,0|1,0,2]=4 23 B7R1.4 C[C@H]1NCC[C@@H]1O P21062 [0,0,0,1,0,0|1,0,2]=4 24 B7R1.4 N[C@@H]1COC[C@@H]1O P16454 [0,0,0,1,0,0|2,0,1]=4 25 B7R1.4 N[C@H]1CCC[C@@H]1F P18723 [0,0,0,1,0,0|2,0,1]=4 26 B7R1.4 O[C@@H]1CNC[C@@H]1F P15723 [0,0,0,1,0,0|2,0,1]=4 27 B7R1.6 BrCC[C@H]1CCO1 D79156 [0,0,0,1,0,0|1,0,2]=4 28 B7R1.6 ICC[C@H]1CCO1 D79155 [0,0,0,1,0,0|1,0,2]=4 29 B7R1.6 NCC[C@H]1CCO1 D79157 [0,0,0,1,0,0|1,0,2]=4 30 B7R1.6 NCC[C@H]1CCO1 P17247 [0,0,0,1,0,0|1,0,2]=4 31 B7R1.6 OCC[C@H]1CCO1 D84844 [0,0,0,1,0,0|1,0,2]=4 32 B7R1.6 OCC[C@H]1CCO1 P19429 [0,0,0,1,0,0|1,0,2]=4 33 B7R1.8 OCC1CCC1O P20965 [0,0,0,1,0,0|1,0,2]=4 34 B7R1.22 NC[C@H](N)C1CC1 Y14018 [0,0,0,1,0,0|2,0,1]=4 35 B7R1.22 N[C@@H](CO)C1CC1 Y13952 [0,0,0,1,0,0|2,0,1]=4 36 B7R1.25 C#CC1(N)CCC1 AC1326 [0,0,0,1,0,0|1,0,2]=4 37 B7R1.25 C#CC1(O)CCC1 D96869 [0,0,0,1,0,0|0,0,2]=3 38 B7R1.25 NCC1(N)CCC1 D96796 [0,0,0,1,0,0|2,0,1]=4 39 B7R1.25 OCC1(O)CNC1 P14885 [0,0,0,1,0,0|2,0,1]=4 40 B7R1.25 OCC1(O)COC1 P16013 [0,0,0,1,0,0|2,0,1]=4 41 B4R0.1 C=C[C@H](C)N N11431 [2,0,0,0,0,0|1,0,0]=3 42 B4R0.2 CNCCF AC6046 [2,0,0,0,0,0|2,0,0]=4 43 B6R0.2 C[C@H](O)CN(C)C AT22519 [1,1,0,0,0,0|1,0,1]=4 44 B6R0.4 C[C@H](Cl)CCCO AC5969 [1,1,0,0,0,0|1,0,1]=4 45 B8R0.5 CCC[C@H](N)CC(=O)O Y13601 [0,2,0,0,0,0|1,0,1]=4 46 B8R0.1 C=CCC[C@@H](O)CCC D93149 [0,2,0,0,0,0|0,0,0]=2 47 B8R0.8 N[C@@H](CCCO)C(=O)O 51288 [0,2,0,0,0,0|2,0,0]=4 48 B8R0.9 C=C[C@@H](N)CCC(=O)O 20252 [0,2,0,0,0,0|1,0,1]=4 49 B8R0.9 C=C[C@@H](N)CCC(=O)O 33474 [0,2,0,0,0,0|1,0,1]=4 50 B8R0.9 C=C[C@@H](N)CCC(=O)O D87124 [0,2,0,0,0,0|1,0,1]=4 51 B6R1.5 CC1CC(O)C1 P19103 [1,0,0,1,0,0|0,0,1]=3 52 B6R1.5 C[C@H]1C[C@H](C)N1 D79632 [1,0,0,1,0,0|1,0,1]=4 53 B6R1.5 C[C@H]1C[C@H](C)N1 D84904 [1,0,0,1,0,0|1,0,1]=4 54 B6R1.5 O[C@H]1C[C@H](O)C1 P20297 [1,0,0,1,0,0|1,0,1]=4 55 B6R1.6 C#CC1CCC1 P19139 [1,0,0,1,0,0|0,0,2]=4 56 B6R1.7 C=CC1(O)CC1 F53569 [1,0,0,1,0,0|0,0,0]=2 57 B8R1.1 C=C[C@@H]1COC(=O)C1 C12022 [0,1,0,1,0,0|1,0,1]=4 58 B8R1.1 CC1CC(CO)CN1 83595 [0,1,0,1,0,0|1,0,1]=4 59 B8R1.1 CC1CCC(CO)C1 72724 [0,1,0,1,0,0|0,0,2]=4 60 B8R1.1 C[C@H]1CN[C@@H](CO)C1 87742 [0,1,0,1,0,0|1,0,1]=4 61 B8R1.4 C[C@H]1CCCC(=O)N1 D85681 [0,1,0,1,0,0|2,0,0]=4 62 B8R1.4 C[C@H]1C[C@@H](O)CCN1 38753 [0,1,0,1,0,0|0,0,2]=4 63 B8R1.4 C[C@H]1C[C@@H](O)CCN1 38754 [0,1,0,1,0,0|0,0,2]=4 64 B8R1.4 NN1CCC[C@H](O)C1 Y14768 [0,1,0,1,0,0|1,0,1]=4 65 B8R1.4 N[C@@H]1CCC[C@H](O)C1 AT10758 [0,1,0,1,0,0|0,0,2]=4 66 B8R1.4 N[C@@H]1CCC[C@H](O)C1 D77153 [0,1,0,1,0,0|0,0,2]=4 67 B8R1.4 N[C@H]1CCC[C@H](O)C1 C73496 [0,1,0,1,0,0|0,0,2]=4 68 B8R1.4 O[C@@H]1C=C(Br)COC1 P19693 [0,1,0,1,0,0|1,0,0]=3 69 B8R1.4 O[C@@H]1CNC[C@@H](O)C1 P19870 [0,1,0,1,0,0|1,0,1]=4 70 B8R1.4 O[C@@H]1CNC[C@H](O)C1 C77406 [0,1,0,1,0,0|1,0,1]=4 71 B8R1.51 CC1(C)C[C@H](O)CN1 P16596 [0,1,0,1,0,0|1,0,1]=4 72 B8R1.53 CC1(C)C[C@H](CN)O1 CS2412 [0,1,0,1,0,0|1,0,1]=4 73 B8R1.2 C#C[C@H]1CCCOC1 P12240 [0,1,0,1,0,0|0,0,2]=4 74 B8R1.2 CN[C@H]1CCCOC1 D96690 [0,1,0,1,0,0|1,0,1]=4 75 B8R1.2 NC[C@H]1CCCOC1 P15860 [0,1,0,1,0,0|1,0,1]=4 76 B8R1.2 NC[C@H]1CCCOC1 P15862 [0,1,0,1,0,0|1,0,1]=4 77 B8R1.2 OC[C@H]1CCCCO1 92919 [0,1,0,1,0,0|1,0,1]=4 78 B8R1.2 OC[C@H]1CCCCO1 P13405 [0,1,0,1,0,0|1,0,1]=4 79 B8R1.2 OC[C@H]1CCCOC1 P13406 [0,1,0,1,0,0|1,0,1]=4 80 B8R1.2 OC[C@H]1CCCOC1 P13407 [0,1,0,1,0,0|1,0,1]=4 81 B8R1.3 C[C@@H]1CC[C@H](O)CN1 73248 [0,1,0,1,0,0|0,0,2]=4 82 B8R1.5 C[C@@H]1CCNC[C@@H]1O 72843 [0,1,0,1,0,0|0,0,2]=4 83 B8R1.5 C[C@H]1CNCC[C@@H]1O P21141 [0,1,0,1,0,0|0,0,2]=4 84 B8R1.5 C[C@H]1NCCC[C@@H]1O D96985 [0,1,0,1,0,0|0,0,2]=4 85 B8R1.5 C[C@H]1NCCC[C@@H]1O D96986 [0,1,0,1,0,0|0,0,2]=4 86 B8R1.5 N[C@@H]1CCOC[C@@H]1O 38663 [0,1,0,1,0,0|1,0,1]=4 87 B8R1.5 N[C@@H]1CCOC[C@@H]1O P15155 [0,1,0,1,0,0|1,0,1]=4 88 B8R1.5 N[C@@H]1COCC[C@@H]1O P16446 [0,1,0,1,0,0|1,0,1]=4 89 B8R1.5 N[C@@H]1COCC[C@@H]1O P21118 [0,1,0,1,0,0|1,0,1]=4 90 B8R1.5 N[C@@H]1COCC[C@@H]1O P21119 [0,1,0,1,0,0|1,0,1]=4 91 B8R1.5 O[C@@H]1CCNC[C@@H]1F 73030 [0,1,0,1,0,0|1,0,1]=4 92 B8R1.5 O[C@@H]1CCOC[C@@H]1F P16658 [0,1,0,1,0,0|1,0,1]=4 93 B8R1.5 O[C@@H]1CNCC[C@@H]1F P15157 [0,1,0,1,0,0|1,0,1]=4 94 B8R1.5 O[C@@H]1CNCC[C@@H]1F P15750 [0,1,0,1,0,0|1,0,1]=4 95 B8R1.5 O[C@H]1CCNC[C@@H]1F 73096 [0,1,0,1,0,0|1,0,1]=4 96 B8R1.5 O[C@H]1CCOC[C@@H]1F P17909 [0,1,0,1,0,0|1,0,1]=4 97 B8R1.5 [BH3-]C1=CCCC[C@@H]1C AC8574 [0,1,0,1,0,0|1,0,0]=3 98 B8R1.19 C[C@]1(O)CCC[C@@H]1N D84856 [0,1,0,1,0,0|1,0,1]=4 99 B8R1.19 O[C@H]1CCCC1(F)F D97023 [0,1,0,1,0,0|1,0,1]=4 100 B8R1.23 C[C@@H]1C[C@@H](C(=O)O)N1 P20785 [0,1,0,1,0,0|2,0,0]=4 101 B8R1.23 C[C@H]1C[C@@H](C(=O)O)N1 D96843 [0,1,0,1,0,0|2,0,0]=4 102 B8R1.78 O=C(O)C1(F)CCC1 85747 [0,1,0,1,0,0|2,0,0]=4 103 B8R1.78 O=C(O)C1(O)COC1 P17225 [0,1,0,1,0,0|2,0,0]=4 104 B8R1.8 C=CC[C@H]1CCCN1 Y11188 [0,1,0,1,0,0|1,0,0]=3 105 B8R1.8 CNCC1=NC=CO1 66406 [0,1,0,1,0,0|1,0,1]=4 106 B8R1.11 CC1CCCC1CO 72730 [0,1,0,1,0,0|0,0,2]=4 107 B8R1.11 CCN1N=CC=C1O AT26527 [0,1,0,1,0,0|1,0,1]=4 108 B8R1.11 CO[C@H]1CCC[C@H]1N P19444 [0,1,0,1,0,0|1,0,1]=4 109 B8R1.72 C[C@]1(O)CCCNC1 AT10307 [0,1,0,1,0,0|1,0,1]=4 110 B8R1.72 C[C@]1(O)CCCNC1 D97149 [0,1,0,1,0,0|1,0,1]=4 111 B8R2.4 O=C1CC2CC1C2 P20286 [0,0,0,2,0,0|2,0,0]=4 112 B8R2.38 O=C1CC[C@@H]2C[C@H]12 97892 [0,0,0,2,0,0|2,0,0]=4 113 B8R2.38 O[C@H]1CC[C@@H]2C[C@H]12 D96571 [0,0,0,2,0,0|0,0,2]=4 114 B8R2.23 C1NCC2CC1O2 W19453 [0,0,0,2,0,0|1,0,1]=4