0 B6R1.2 CN1CCNC1 AC8535 [0,0,0,0,0,0|3,0,0]=3 1 B6R1.2 Cl[C@H]1CCNC1 W15837 [0,0,0,0,0,0|2,0,1]=3 2 B6R1.2 FC1=CSC=C1 T72274 [0,0,0,0,0,0|1,0,3]=4 3 B6R1.2 O=C1NN=CO1 D96956 [0,0,0,0,0,0|3,0,1]=4 4 B7R1.1 C#C[C@H]1CCNC1 P12667 [0,1,0,0,0,0|2,0,1]=4 5 B7R1.1 C#C[C@H]1CCOC1 38451 [0,1,0,0,0,0|1,1,1]=4 6 B7R1.1 CC[C@H]1CCNC1 P14868 [0,1,0,0,0,0|2,0,1]=4 7 B7R1.1 FC[C@H]1CCNC1 P18732 [0,1,0,0,0,0|2,0,1]=4 8 B7R1.2 C[C@@H]1COC(=O)C1 64712 [0,1,0,0,0,0|2,0,0]=3 9 B7R1.2 C[C@@H]1COC(=O)C1 69011 [0,1,0,0,0,0|2,0,0]=3 10 B7R1.2 C[C@@H]1C[C@H](O)CN1 W10042 [0,1,0,0,0,0|1,0,2]=4 11 B7R1.2 C[C@H]1C[C@H](F)CN1 W10043 [0,1,0,0,0,0|2,0,1]=4 12 B7R1.2 C[C@H]1C[C@H](O)CN1 P15836 [0,1,0,0,0,0|1,0,2]=4 13 B7R1.2 C[C@H]1C[C@H](O)CN1 W10041 [0,1,0,0,0,0|1,0,2]=4 14 B7R1.2 NC1=NCC(=O)S1 C13281 [0,1,0,0,0,0|2,0,1]=4 15 B7R1.2 N[C@@H]1CCC(=O)N1 D72820 [0,1,0,0,0,0|2,0,0]=3 16 B7R1.2 N[C@@H]1CC[C@H](F)C1 73246 [0,1,0,0,0,0|2,0,1]=4 17 B7R1.2 N[C@@H]1CNC(=O)C1 P12719 [0,1,0,0,0,0|2,0,0]=3 18 B7R1.2 N[C@H]1CC[C@@H](N)C1 C75982 [0,1,0,0,0,0|2,0,1]=4 19 B7R1.2 N[C@H]1CC[C@@H](N)C1 D78669 [0,1,0,0,0,0|2,0,1]=4 20 B7R1.2 N[C@H]1CC[C@H](N)C1 D96861 [0,1,0,0,0,0|2,0,1]=4 21 B7R1.2 N[C@H]1CC[C@H](O)C1 31095 [0,1,0,0,0,0|1,0,2]=4 22 B7R1.2 N[C@H]1CC[C@H](O)C1 P11035 [0,1,0,0,0,0|1,0,2]=4 23 B7R1.2 N[C@H]1CC[C@H](O)C1 W10025 [0,1,0,0,0,0|1,0,2]=4 24 B7R1.2 O=C1C=C[C@@H](O)C1 86273 [0,1,0,0,0,0|1,0,1]=3 25 B7R1.2 O[C@H]1CC[C@H](O)C1 P18410 [0,1,0,0,0,0|1,0,2]=4 26 B7R1.4 BrC1CCCC1Br D96921 [0,1,0,0,0,0|2,0,1]=4 27 B7R1.4 CN1CC=CC1=O N13365 [0,1,0,0,0,0|2,0,1]=4 28 B7R1.4 C[C@@H]1NCC[C@@H]1O C77439 [0,1,0,0,0,0|1,0,2]=4 29 B7R1.4 C[C@@H]1OCC[C@@H]1N 73023 [0,1,0,0,0,0|1,1,1]=4 30 B7R1.4 C[C@H]1CCNC1=O D72754 [0,1,0,0,0,0|2,0,0]=3 31 B7R1.4 C[C@H]1NCC[C@@H]1O AT22501 [0,1,0,0,0,0|1,0,2]=4 32 B7R1.4 C[C@H]1NCC[C@@H]1O P21062 [0,1,0,0,0,0|1,0,2]=4 33 B7R1.4 F[C@H]1CNC[C@@H]1F 57973 [0,1,0,0,0,0|2,0,1]=4 34 B7R1.4 F[C@H]1CNC[C@@H]1F 72989 [0,1,0,0,0,0|2,0,1]=4 35 B7R1.4 F[C@H]1CNC[C@@H]1F P19008 [0,1,0,0,0,0|2,0,1]=4 36 B7R1.4 N[C@@H]1COC[C@@H]1N 27748 [0,1,0,0,0,0|1,1,1]=4 37 B7R1.4 N[C@@H]1COC[C@@H]1O P16454 [0,1,0,0,0,0|0,1,2]=4 38 B7R1.4 N[C@H]1CCC[C@@H]1F P18723 [0,1,0,0,0,0|2,0,1]=4 39 B7R1.4 O[C@@H]1CNC[C@@H]1F P15723 [0,1,0,0,0,0|1,0,2]=4 40 B7R1.14 C[C@]1(F)CCNC1 P19721 [0,1,0,0,0,0|2,0,1]=4 41 B7R1.14 C[C@]1(F)CCNC1 P19900 [0,1,0,0,0,0|2,0,1]=4 42 B7R1.14 C[C@]1(O)CCNC1 95716 [0,1,0,0,0,0|1,0,2]=4 43 B7R1.14 C[C@]1(O)CCNC1 P15825 [0,1,0,0,0,0|1,0,2]=4 44 B7R1.14 C[C@]1(O)CCNC1 P15831 [0,1,0,0,0,0|1,0,2]=4 45 B5R0.2 CSCCCCl Y14621 [0,0,1,0,0,0|1,0,1]=3 46 B5R0.2 N#CCCC=O F20778 [0,0,1,0,0,0|2,0,0]=3 47 B4R0.2 CNCCF AC6046 [1,0,1,0,0,0|2,0,0]=4 48 B6R0.2 O=C(O)CC(F)F P18472 [0,1,1,0,0,0|2,0,0]=4 49 B6R0.3 C[C@@H](CN)C(=O)O 31999 [0,1,1,0,0,0|2,0,0]=4 50 B6R0.3 N[C@H](CS)S(=O)O D72263 [0,1,1,0,0,0|2,0,0]=4 51 B6R0.5 CSCC(C)(C)N D76732 [0,1,1,0,0,0|1,0,1]=4 52 B6R0.9 C\C=C(\C=O)CC AC9866 [0,1,1,0,0,0|1,0,1]=4 53 B6R1.4 N[C@H]1CC[C@@H]1O D72719 [0,1,0,0,1,0|0,0,2]=4 54 B6R1.4 N[C@H]1CC[C@@H]1O P20951 [0,1,0,0,1,0|0,0,2]=4 55 B6R1.4 N[C@H]1CC[C@@H]1O P20952 [0,1,0,0,1,0|0,0,2]=4 56 B6R1.4 N[C@H]1CNC1=O P11921 [0,1,0,0,1,0|1,0,0]=3 57 B6R1.4 O[C@H]1CC[C@H]1O AT10951 [0,1,0,0,1,0|0,0,2]=4 58 B6R1.5 CC1CC(O)C1 P19103 [0,1,0,0,1,0|0,0,2]=4 59 B6R1.5 N[C@H]1C[C@H](F)C1 P16381 [0,1,0,0,1,0|1,0,1]=4 60 B6R1.5 N[C@H]1C[C@H](N)C1 38581 [0,1,0,0,1,0|1,0,1]=4 61 B6R1.5 O=C1CC(F)C1 P13807 [0,1,0,0,1,0|0,0,0]=2 62 B6R1.5 O[C@H]1C[C@H](O)C1 P20297 [0,1,0,0,1,0|0,0,2]=4 63 B6R1.6 C#CC1CCC1 P19139 [0,1,0,0,1,0|1,0,1]=4 64 B6R1.6 NCC1CSC1 39006 [0,1,0,0,1,0|1,0,1]=4 65 B8R1.2 BrCC1CCSCC1 D84726 [0,1,0,0,0,1|1,0,1]=4 66 B8R1.2 C#CC1CCSCC1 P13801 [0,1,0,0,0,1|1,0,1]=4 67 B8R1.3 C[C@H]1CCC(=O)CN1 P20466 [0,1,0,0,0,1|1,0,0]=3 68 B8R1.3 C[C@H]1CCC(=O)CN1 P20467 [0,1,0,0,0,1|1,0,0]=3 69 B8R1.3 O=C1CCC(=O)NC1 65254 [0,1,0,0,0,1|1,0,0]=3 70 B8R1.3 O=C1CCS(=O)CC1 D86028 [0,1,0,0,0,1|0,0,1]=3 71 B8R1.4 CC1=CCCC(=O)C1 D79894 [0,1,0,0,0,1|1,0,0]=3 72 B8R1.4 C[C@H]1CC(=O)CCO1 P13205 [0,1,0,0,0,1|0,1,0]=3 73 B8R1.4 C[C@H]1CCCC(=O)N1 D85681 [0,1,0,0,0,1|1,0,0]=3 74 B8R1.4 N[C@@H]1COCC(=O)C1 91465 [0,1,0,0,0,1|0,1,0]=3 75 B8R1.4 O[C@@H]1C=C(Br)COC1 P19693 [0,1,0,0,0,1|1,1,0]=4 76 B8R1.5 [BH3-]C1=CCCC[C@@H]1C AC8574 [0,1,0,0,0,1|2,0,0]=4 77 B8R1.72 CP1(=O)CCNCC1 W19671 [0,1,0,0,0,1|2,0,0]=4 78 B8R1.1 C=C[C@@H]1COC(=O)C1 C12022 [0,2,0,0,0,0|2,0,0]=4 79 B8R1.1 CN[C@@H]1CNC(=O)C1 P19248 [0,2,0,0,0,0|2,0,0]=4 80 B8R1.1 NC[C@@H]1CNC(=O)C1 38946 [0,2,0,0,0,0|2,0,0]=4 81 B8R1.1 NC[C@@H]1CNC(=O)C1 P14159 [0,2,0,0,0,0|2,0,0]=4 82 B8R1.1 O=C1C[C@H](CO)CO1 72726 [0,2,0,0,0,0|2,0,0]=4 83 B8R1.7 NC(=O)[C@H]1CCNC1 30954 [0,2,0,0,0,0|1,0,1]=4 84 B8R1.7 O=C(O)C1CSSC1 D82957 [0,2,0,0,0,0|1,0,1]=4 85 B8R1.51 N[C@H]1CCS(=O)(=O)C1 C12957 [0,2,0,0,0,0|2,0,0]=4 86 B8R1.19 O=C1NCCC1(F)F 90055 [0,2,0,0,0,0|2,0,0]=4 87 B8R2.18 O=C1CC2CC2N1 P20381 [0,0,0,1,0,1|1,0,0]=3 88 B8R2.38 O=C1CC[C@@H]2C[C@H]12 97892 [0,0,0,1,0,1|1,0,0]=3 89 B8R2.38 O=C1NCC2CC12 AT10538 [0,0,0,1,0,1|1,0,0]=3 90 B8R2.4 O=C1CC2CC1C2 P20286 [0,1,0,1,0,0|1,0,0]=3