0 B7R1.4 BrC1CCCC1Br D96921 [0,0,0,0,0,0|3,0,1]=4 1 B7R1.4 CN1CC=CC1=O N13365 [0,0,0,0,0,0|2,0,2]=4 2 B7R1.4 C[C@@H]1NCC[C@@H]1O C77439 [0,0,0,0,0,0|1,0,2]=3 3 B7R1.4 C[C@@H]1OCC[C@@H]1N 73023 [0,0,0,0,0,0|1,0,1]=2 4 B7R1.4 C[C@H]1CCNC1=O D72754 [0,0,0,0,0,0|2,0,0]=2 5 B7R1.4 C[C@H]1NCC[C@@H]1O AT22501 [0,0,0,0,0,0|1,0,2]=3 6 B7R1.4 C[C@H]1NCC[C@@H]1O P21062 [0,0,0,0,0,0|1,0,2]=3 7 B7R1.4 N[C@H]1CCC[C@@H]1F P18723 [0,0,0,0,0,0|3,0,1]=4 8 B6R1.2 CN1CCNC1 AC8535 [1,0,0,0,0,0|3,0,0]=4 9 B6R1.2 Cl[C@H]1CCNC1 W15837 [1,0,0,0,0,0|2,0,1]=4 10 B8R1.11 CC1CCCC1CO 72730 [0,1,0,0,0,0|1,0,2]=4 11 B8R1.11 CO[C@H]1CCC[C@H]1N P19444 [0,1,0,0,0,0|2,0,1]=4 12 B8R1.11 C[C@@H]1NCC[C@@H]1CO 73106 [0,1,0,0,0,0|1,0,2]=4 13 B8R1.11 C[C@@H]1OCC[C@@H]1CO 73087 [0,1,0,0,0,0|0,0,2]=3 14 B8R1.11 NC[C@H]1CCC[C@@H]1F 73033 [0,1,0,0,0,0|2,0,1]=4 15 B8R1.11 OC[C@H]1NCC[C@@H]1O 95527 [0,1,0,0,0,0|1,0,2]=4 16 B8R1.19 C[C@]1(O)CCC[C@@H]1N D84856 [0,1,0,0,0,0|2,0,1]=4 17 B8R1.19 O=C1NCCC1(F)F 90055 [0,1,0,0,0,0|3,0,0]=4 18 B8R1.50 CC1CCC(C)C1N F12413 [0,1,0,0,0,0|2,0,1]=4 19 B6R0.3 CC(C)C(=O)CN AT23528 [0,0,1,0,0,0|2,0,0]=3 20 B6R0.3 C[C@@H](CN)C(=O)O 31999 [0,0,1,0,0,0|3,0,0]=4 21 B6R0.3 O=C(CBr)C(F)F AT12824 [0,0,1,0,0,0|3,0,0]=4 22 B8R2.4 O=C1CC2CC1C2 P20286 [0,0,0,1,0,0|1,0,0]=2 23 B8R2.38 NC1CCC2CC12 F30521 [0,0,0,1,0,0|2,0,1]=4 24 B8R2.38 O=C1CC[C@@H]2C[C@H]12 97892 [0,0,0,1,0,0|1,0,0]=2 25 B8R2.38 O=C1NCC2CC12 AT10538 [0,0,0,1,0,0|2,0,0]=3 26 B8R2.38 O[C@H]1CC[C@@H]2C[C@H]12 D96571 [0,0,0,1,0,0|1,0,2]=4 27 B6R1.4 C[C@@H]1NC[C@@H]1F AT24721 [0,0,0,0,1,0|2,0,1]=4 28 B6R1.4 C[C@@H]1NC[C@@H]1O P18431 [0,0,0,0,1,0|1,0,2]=4 29 B6R1.4 C[C@@H]1NC[C@@H]1O P18432 [0,0,0,0,1,0|1,0,2]=4 30 B6R1.4 C[C@@H]1NC[C@@H]1O P18433 [0,0,0,0,1,0|1,0,2]=4 31 B6R1.4 N[C@H]1CC[C@@H]1O D72719 [0,0,0,0,1,0|1,0,2]=4 32 B6R1.4 N[C@H]1CC[C@@H]1O P20951 [0,0,0,0,1,0|1,0,2]=4 33 B6R1.4 N[C@H]1CC[C@@H]1O P20952 [0,0,0,0,1,0|1,0,2]=4 34 B6R1.4 N[C@H]1CNC1=O P11921 [0,0,0,0,1,0|2,0,0]=3 35 B6R1.4 O[C@H]1CC[C@H]1O AT10951 [0,0,0,0,1,0|1,0,2]=4 36 B8R1.4 CC1=CCCC(=O)C1 D79894 [0,0,0,0,0,1|1,0,1]=3 37 B8R1.4 C[C@H]1CC(=O)CCO1 P13205 [0,0,0,0,0,1|0,0,0]=1 38 B8R1.4 C[C@H]1CCCC(=O)N1 D85681 [0,0,0,0,0,1|1,0,0]=2 39 B8R1.4 C[C@H]1CCC[C@H](C)N1 P19345 [0,0,0,0,0,1|2,0,1]=4 40 B8R1.4 C[C@H]1CCC[C@H](C)N1 P20082 [0,0,0,0,0,1|2,0,1]=4 41 B8R1.4 C[C@H]1C[C@@H](O)CCN1 38753 [0,0,0,0,0,1|1,0,2]=4 42 B8R1.4 C[C@H]1C[C@@H](O)CCN1 38754 [0,0,0,0,0,1|1,0,2]=4 43 B8R1.4 N[C@@H]1COCC(=O)C1 91465 [0,0,0,0,0,1|3,0,0]=4 44 B8R1.5 C[C@@H]1CCNC[C@@H]1O 72843 [0,0,0,0,0,1|1,0,2]=4 45 B8R1.5 C[C@H]1CCCC[C@@H]1N P20880 [0,0,0,0,0,1|2,0,1]=4 46 B8R1.5 C[C@H]1CCCC[C@@H]1N P20881 [0,0,0,0,0,1|2,0,1]=4 47 B8R1.5 C[C@H]1CCNC[C@@H]1F 73144 [0,0,0,0,0,1|2,0,1]=4 48 B8R1.5 C[C@H]1CNCC[C@@H]1O P21141 [0,0,0,0,0,1|1,0,2]=4 49 B8R1.5 C[C@H]1COCC[C@@H]1N 38673 [0,0,0,0,0,1|1,0,1]=3 50 B8R1.5 C[C@H]1COCC[C@@H]1N P17478 [0,0,0,0,0,1|1,0,1]=3 51 B8R1.5 C[C@H]1NCCC[C@@H]1O D96985 [0,0,0,0,0,1|1,0,2]=4 52 B8R1.5 C[C@H]1NCCC[C@@H]1O D96986 [0,0,0,0,0,1|1,0,2]=4 53 B8R1.5 N[C@@H]1CCOC[C@@H]1F P17093 [0,0,0,0,0,1|2,0,1]=4 54 B8R1.5 N[C@@H]1CCOC[C@@H]1F P17094 [0,0,0,0,0,1|2,0,1]=4 55 B8R1.5 N[C@@H]1CCOC[C@@H]1O 38663 [0,0,0,0,0,1|2,0,1]=4 56 B8R1.5 N[C@@H]1CCOC[C@@H]1O P15155 [0,0,0,0,0,1|2,0,1]=4 57 B8R1.5 N[C@@H]1COCC[C@@H]1O P16446 [0,0,0,0,0,1|1,0,2]=4 58 B8R1.5 N[C@@H]1COCC[C@@H]1O P21118 [0,0,0,0,0,1|1,0,2]=4 59 B8R1.5 N[C@@H]1COCC[C@@H]1O P21119 [0,0,0,0,0,1|1,0,2]=4 60 B8R1.5 N[C@H]1CCOC[C@@H]1F P14626 [0,0,0,0,0,1|2,0,1]=4 61 B8R1.5 O[C@@H]1CCOC[C@@H]1F P16658 [0,0,0,0,0,1|1,0,2]=4 62 B8R1.5 O[C@H]1CCOC[C@@H]1F P17909 [0,0,0,0,0,1|1,0,2]=4 63 B8R1.5 [BH3-]C1=CCCC[C@@H]1C AC8574 [0,0,0,0,0,1|2,0,0]=3 64 B5R0.2 N#CCCC=O F20778 [1,0,1,0,0,0|1,0,1]=4 65 B5R0.3 C=C[C@@H](N)CC 68012 [1,0,1,0,0,0|2,0,0]=4 66 B5R0.5 CC(N)C(C)O Y13729 [1,0,1,0,0,0|1,0,1]=4 67 B5R0.5 C[C@H](N)[C@H](C)O F16993 [1,0,1,0,0,0|1,0,1]=4 68 B7R0.3 CNC(=O)CCCO F10217 [0,1,1,0,0,0|1,0,0]=3 69 B7R0.15 CN[C@@H](CS)C(=O)O AC8363 [0,1,1,0,0,0|2,0,0]=4 70 B7R1.1 C#C[C@H]1CCOC1 38451 [1,1,0,0,0,0|1,0,1]=4 71 B7R1.1 CC[C@H]1CCCN1 Y11636 [1,1,0,0,0,0|1,0,1]=4 72 B7R1.1 OC[C@@H]1C=CCC1 74782 [1,1,0,0,0,0|1,0,1]=4 73 B7R1.2 C[C@@H]1COC(=O)C1 64712 [1,1,0,0,0,0|2,0,0]=4 74 B7R1.2 C[C@@H]1COC(=O)C1 69011 [1,1,0,0,0,0|2,0,0]=4 75 B7R1.2 C[C@@H]1C[C@H](O)CN1 W10042 [1,1,0,0,0,0|1,0,1]=4 76 B7R1.2 C[C@H]1CC[C@H](C)N1 D85954 [1,1,0,0,0,0|1,0,1]=4 77 B7R1.2 C[C@H]1CC[C@H](C)N1 P17787 [1,1,0,0,0,0|1,0,1]=4 78 B7R1.2 C[C@H]1C[C@H](F)CN1 W10043 [1,1,0,0,0,0|1,0,1]=4 79 B7R1.2 C[C@H]1C[C@H](O)CN1 P15836 [1,1,0,0,0,0|1,0,1]=4 80 B7R1.2 C[C@H]1C[C@H](O)CN1 W10041 [1,1,0,0,0,0|1,0,1]=4 81 B7R1.2 N[C@@H]1CCC(=O)N1 D72820 [1,1,0,0,0,0|2,0,0]=4 82 B7R1.2 N[C@@H]1CNC(=O)C1 P12719 [1,1,0,0,0,0|2,0,0]=4 83 B7R1.2 O=C1C=C[C@@H](O)C1 86273 [1,1,0,0,0,0|1,0,1]=4 84 B7R1.8 CN1CC[C@@H]1CN P13166 [0,1,0,0,1,0|2,0,0]=4 85 B7R1.8 CO[C@H]1CC[C@@H]1N P20347 [0,1,0,0,1,0|1,0,1]=4 86 B7R1.8 NCC1CCC1F P18462 [0,1,0,0,1,0|1,0,1]=4 87 B7R1.8 OCC1CCC1F P19725 [0,1,0,0,1,0|1,0,1]=4 88 B7R1.8 OCC1CCC1O P20965 [0,1,0,0,1,0|0,0,2]=4 89 B7R1.17 CC1(C)CC[C@@H]1O P17222 [0,1,0,0,1,0|0,0,2]=4 90 B7R1.17 CC1(C)OC[C@@H]1N P17954 [0,1,0,0,1,0|1,0,1]=4 91 B7R1.17 C[C@H]1CNS1(=O)=O AT12683 [0,1,0,0,1,0|2,0,0]=4 92 B9R1.2 CC[C@H]1CCCC(=O)N1 D96357 [0,1,0,0,0,1|1,0,0]=3 93 B9R1.2 CN1CCO[C@@H](CN)C1 77630 [0,1,0,0,0,1|2,0,0]=4 94 B9R1.2 CN1CCO[C@@H](CN)C1 77631 [0,1,0,0,0,1|2,0,0]=4 95 B9R1.2 O=C1COC[C@H](CO)N1 AT10102 [0,1,0,0,0,1|2,0,0]=4 96 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)N1 P12608 [0,1,0,0,0,1|1,0,0]=3 97 B9R1.69 C[C@@H]1OC(=O)COC1=O D75679 [0,1,0,0,0,1|2,0,0]=4 98 B9R1.15 CN1CCOC[C@@H]1CN 77626 [0,1,0,0,0,1|2,0,0]=4 99 B9R1.15 CN1CCOC[C@@H]1CO 77627 [0,1,0,0,0,1|2,0,0]=4 100 B9R1.15 CN[C@H]1CCCCC1=O 79572 [0,1,0,0,0,1|1,0,0]=3 101 B9R1.15 CO[C@H]1COCC[C@H]1N P15827 [0,1,0,0,0,1|1,0,1]=4 102 B9R1.15 C[C@@H]1OCCN[C@H]1CO 77688 [0,1,0,0,0,1|0,0,2]=4 103 B9R1.15 NC1CCOCC1CO P19367 [0,1,0,0,0,1|1,0,1]=4 104 B9R1.40 CC1(C)COC=CC1=O Y13541 [0,1,0,0,0,1|0,0,2]=4 105 B9R1.40 CC1(C)COCC[C@@H]1O Y13542 [0,1,0,0,0,1|0,0,2]=4 106 B9R1.40 [BH3-]C1=CCCCC1(C)C AC8579 [0,1,0,0,0,1|2,0,0]=4 107 B9R1.33 COC[C@H]1CCCC1=O 79670 [0,2,0,0,0,0|1,0,0]=3 108 B9R1.41 C[C@H]1NCC[C@@H]1C(=O)O P20919 [0,2,0,0,0,0|1,0,1]=4 109 B9R1.132 CN1C(=O)CC[C@@H]1CN 94191 [0,2,0,0,0,0|2,0,0]=4 110 B9R1.132 CN1C(=O)CC[C@@H]1CN 94192 [0,2,0,0,0,0|2,0,0]=4 111 B9R1.106 CC1(C)C(=O)NC[C@@H]1N P17639 [0,2,0,0,0,0|2,0,0]=4 112 B7R1.6 OCC[C@H]1CCO1 D84844 [0,0,1,1,0,0|0,0,2]=4 113 B7R1.6 OCC[C@H]1CCO1 P19429 [0,0,1,1,0,0|0,0,2]=4 114 B7R1.21 NC1(CCO)CC1 50078 [0,0,1,1,0,0|1,0,1]=4 115 B7R1.25 C[C@]1(CO)CCO1 CS1015 [0,0,1,1,0,0|0,0,2]=4 116 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O 55219 [0,0,1,1,0,0|2,0,0]=4 117 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P17920 [0,0,1,1,0,0|2,0,0]=4 118 B7R1.18 O=C(O)[C@@H]1CCO1 P18794 [0,0,1,1,0,0|1,0,0]=3 119 B7R1.18 O=C(O)[C@@H]1CCO1 P18795 [0,0,1,1,0,0|1,0,0]=3 120 B9R2.8 O=C1CC2CC(C1)C2 P20287 [0,0,0,1,0,1|1,0,0]=3 121 B9R2.19 O=C1NCC2CC1C2 86845 [0,0,0,1,0,1|1,0,0]=3 122 B9R2.53 O=C1C2CNCC1C2 86846 [0,0,0,1,0,1|1,0,0]=3 123 B9R2.3 C1C[C@@H]2CNC[C@@H]2O1 D79340 [0,1,0,1,0,0|1,0,1]=4 124 B9R1.49 N[C@H]1CCCC(=O)NC1 F19780 [0,0,0,0,0,2|2,0,0]=4 125 B9R1.5 C[C@@H]1NCCCNC1=O Y14885 [0,0,0,0,0,2|1,0,0]=3 126 B9R1.5 C[C@H]1CNCCCC1=O 73108 [0,0,0,0,0,2|1,0,0]=3 127 B9R1.5 N[C@H]1COCCNC1=O 58513 [0,0,0,0,0,2|1,0,0]=3 128 B9R1.5 O=C1CCCNC[C@@H]1F 72716 [0,0,0,0,0,2|2,0,0]=4 129 B9R1.5 O=C1CCNCC[C@@H]1F 73001 [0,0,0,0,0,2|2,0,0]=4