0 B8R0.1 CCCC[C@H](N)CCO AT14318 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.1 CCOC(=O)\C=C\CO AT14907 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.1 N#CCC(=O)OCCN D76753 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.1 N#CCC(=O)OCCN D76754 [0,0,0,0,0,0|2,0,1]=3 4 B8R0.1 NOCC(=O)NCCO AT10370 [0,0,0,0,0,0|4,0,0]=4 5 B7R0.1 CCCNNCCC D79943 [1,0,0,0,0,0|2,0,0]=3 6 B7R0.3 CCONC(=O)CO AT24923 [1,0,0,0,0,0|3,0,0]=4 7 B7R0.3 C\C=C(/C)CCCC T72329 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.3 O=C(CO)NCCO D86391 [1,0,0,0,0,0|3,0,0]=4 9 B7R0.7 CCC[C@H](O)COC D77523 [1,0,0,0,0,0|1,0,2]=4 10 B9R0.34 CCOC(=O)C[C@H](C)CI AT23325 [0,1,0,0,0,0|3,0,0]=4 11 B9R0.34 CCOC(=O)C[C@H](N)CF AT24446 [0,1,0,0,0,0|3,0,0]=4 12 B9R0.34 CCOC(=O)C[C@H](O)CO C11381 [0,1,0,0,0,0|3,0,0]=4 13 B9R1.2 CC[C@H]1CCNC(=O)C1 AC8855 [0,0,0,1,0,0|2,0,0]=3 14 B9R1.2 NC[C@H]1CCCC(=O)N1 F20761 [0,0,0,1,0,0|2,0,0]=3 15 B9R1.2 O=C1CCC[C@H](CO)N1 C14538 [0,0,0,1,0,0|2,0,0]=3 16 B9R1.2 O=C1CCC[C@H](CO)N1 P11606 [0,0,0,1,0,0|2,0,0]=3 17 B9R1.2 O=C1CCO[C@@H](CO)C1 C91884 [0,0,0,1,0,0|3,0,0]=4 18 B9R1.2 O=C1COC[C@H](CO)N1 AT10103 [0,0,0,1,0,0|3,0,0]=4 19 B9R1.2 O=C1C[C@@H](CBr)CCN1 AC8741 [0,0,0,1,0,0|3,0,0]=4 20 B9R1.15 CO[C@H]1COCCC1=O D75195 [0,0,0,1,0,0|3,0,0]=4 21 B9R1.15 O=C1CCCC[C@@H]1CO 62260 [0,0,0,1,0,0|2,0,0]=3 22 B9R1.22 CC[C@@H]1NC(=O)CC1=O D72818 [0,0,0,1,0,0|2,0,1]=4 23 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 81440 [0,0,0,1,0,0|2,0,0]=3 24 B9R1.33 CCN[C@H]1CCNC1=O AT19099 [0,0,0,1,0,0|3,0,0]=4 25 B9R1.33 NCC[C@H]1CCNC1=O AT19079 [0,0,0,1,0,0|3,0,0]=4 26 B9R1.33 O=C1NCCN1CCBr AC9134 [0,0,0,1,0,0|3,0,0]=4 27 B9R1.48 C[C@H]1CC(=O)NCCN1 12217 [0,0,0,1,0,0|2,0,0]=3 28 B9R1.48 C[C@H]1CC(=O)NCCN1 92001 [0,0,0,1,0,0|2,0,0]=3 29 B9R1.48 N[C@H]1CCCNC(=O)C1 F19647 [0,0,0,1,0,0|2,0,0]=3 30 B9R1.69 O=C1C[C@@H](O)[C@@H](O)CN1 81441 [0,0,0,1,0,0|3,0,0]=4 31 B9R1.75 CCNC(=O)NC1CC1 AT23682 [0,0,0,1,0,0|2,0,0]=3 32 B9R1.75 CCOC(=O)C[C@H]1CO1 A11336 [0,0,0,1,0,0|3,0,0]=4 33 B9R1.134 CCC[N+]1(C)CCCC1 Y14707 [0,0,0,1,0,0|3,0,0]=4 34 B9R1.183 CCOC(=O)C1CC1O 92030 [0,0,0,1,0,0|3,0,0]=4 35 B6R0.6 COCOCCN AC9200 [2,0,0,0,0,0|2,0,0]=4 36 B6R0.6 NCCOCCS AT12749 [2,0,0,0,0,0|2,0,0]=4 37 B6R0.1 COCC(=O)CBr AT12825 [2,0,0,0,0,0|2,0,0]=4 38 B6R0.4 CC(=O)CCCN C77428 [2,0,0,0,0,0|2,0,0]=4 39 B8R0.9 COC(=O)CC[C@H](C)Br AT23331 [1,1,0,0,0,0|2,0,0]=4 40 B10R0.26 CCOC(=O)C[C@H](N)C(C)C F53604 [0,2,0,0,0,0|2,0,0]=4 41 B10R0.26 CCOC(=O)C[C@H](N)C(C)C F53696 [0,2,0,0,0,0|2,0,0]=4 42 B8R1.2 CC[C@H]1CCCCN1 I11451 [1,0,0,1,0,0|1,0,1]=4 43 B8R1.2 NC[C@H]1CCCOC1 P12202 [1,0,0,1,0,0|1,0,1]=4 44 B8R1.2 NC[C@H]1CCCOC1 P12792 [1,0,0,1,0,0|1,0,1]=4 45 B8R1.2 OC[C@H]1CCC=CO1 AC9028 [1,0,0,1,0,0|1,0,1]=4 46 B8R1.5 C[C@@H]1COCC[C@@H]1N CS2010 [1,0,0,1,0,0|1,0,1]=4 47 B8R1.5 C[C@@H]1COCC[C@@H]1N D75982 [1,0,0,1,0,0|1,0,1]=4 48 B8R1.5 C[C@H]1COCC[C@@H]1N P13195 [1,0,0,1,0,0|1,0,1]=4 49 B8R1.8 NCC[C@H]1CCCO1 AT11472 [1,0,0,1,0,0|1,0,1]=4 50 B8R1.10 OCCOC1CCC1 92926 [1,0,0,1,0,0|1,0,1]=4 51 B8R1.22 C[C@H]1CCOCCN1 33399 [1,0,0,1,0,0|1,0,1]=4 52 B8R1.22 C[C@H]1COCCCN1 AT11439 [1,0,0,1,0,0|1,0,1]=4 53 B8R1.22 C[C@H]1COCCCN1 AT11440 [1,0,0,1,0,0|1,0,1]=4 54 B8R1.1 NC[C@H]1CNC(=O)O1 P14474 [1,0,0,1,0,0|2,0,0]=4 55 B8R1.1 O=C1CC[C@H](CBr)N1 W15281 [1,0,0,1,0,0|2,0,0]=4 56 B8R1.1 O=C1CC[C@H](CCl)C1 AT22684 [1,0,0,1,0,0|2,0,0]=4 57 B8R1.1 O=C1CC[C@H](CI)C1 AT22686 [1,0,0,1,0,0|2,0,0]=4 58 B8R1.3 O=C1CC[C@H](O)CO1 AT23772 [1,0,0,1,0,0|1,0,0]=3 59 B8R1.3 O=C1CC[C@H](O)CO1 AT23773 [1,0,0,1,0,0|1,0,0]=3 60 B8R1.40 NCC(=O)NC1CC1 D76973 [1,0,0,1,0,0|2,0,0]=4 61 B8R1.50 C[C@@H]1CNC(=O)[C@H]1N AT23635 [1,0,0,1,0,0|2,0,0]=4 62 B8R1.50 O=C1OC[C@H](O)[C@@H]1Br AC9565 [1,0,0,1,0,0|2,0,0]=4 63 B8R1.4 C[C@H]1CC(=O)CCO1 P11762 [1,0,0,1,0,0|1,0,0]=3 64 B8R1.4 C[C@H]1CCC[C@H](N)C1 94624 [1,0,0,1,0,0|1,0,1]=4 65 B8R1.18 C[C@@H]1NC(=O)C[C@@H]1O C90246 [1,0,0,1,0,0|2,0,0]=4 66 B8R1.37 O=C(OCCl)C1CC1 D85989 [1,0,0,1,0,0|1,0,0]=3 67 B10R1.120 CC1(C)CC(=O)CC[C@@H]1O Y10490 [0,1,0,1,0,0|2,0,0]=4 68 B10R1.444 CC1(C)CC(=O)N[C@H]1CN AT19162 [0,1,0,1,0,0|2,0,0]=4 69 B10R1.10 CCC[C@H]1CCNC(=O)C1 AC9817 [0,1,0,1,0,0|2,0,0]=4 70 B10R1.135 CCOC(=O)[C@H]1C[C@@H]1CBr AT12587 [0,1,0,1,0,0|2,0,0]=4 71 B10R1.135 CCOC(=O)[C@H]1C[C@H]1CBr F50049 [0,1,0,1,0,0|2,0,0]=4 72 B10R1.34 C[C@H]1[C@@H](CO)NC(=O)[C@H]1F C92488 [0,1,0,1,0,0|2,0,0]=4 73 B10R1.4 NCCN1CCNCC1=O AT12837 [0,1,0,1,0,0|2,0,0]=4 74 B10R1.181 CCOC(=O)CC1(C)CC1 D88153 [0,1,0,1,0,0|2,0,0]=4 75 B10R1.140 CCNC(=O)N1CC(O)C1 AT23069 [0,1,0,1,0,0|2,0,0]=4 76 B10R1.140 CCOC(=O)N1CC(N)C1 AT23060 [0,1,0,1,0,0|2,0,0]=4 77 B10R1.140 CCOC(=O)[C@H]1C[C@@H](N)C1 F52406 [0,1,0,1,0,0|2,0,0]=4 78 B10R1.401 CCOC(=O)C1(O)CCC1 AT24823 [0,1,0,1,0,0|2,0,0]=4 79 B10R1.113 CC(=O)[C@H]1CCCC(=O)C1 F53683 [0,1,0,1,0,0|1,0,1]=4 80 B10R1.113 O=C1CCC[C@H](C(F)F)C1 C77401 [0,1,0,1,0,0|2,0,0]=4 81 B10R1.302 O=C1CCCC(F)(F)CC1 AC9081 [0,1,0,1,0,0|2,0,0]=4 82 B10R2.31 O=C1CNC2CCC2N1 AT24536 [0,0,0,2,0,0|2,0,0]=4 83 B10R2.62 O=C1CC2CCC1CN2 P19482 [0,0,0,2,0,0|2,0,0]=4 84 B10R2.62 O=C1CC2CCN1CC2 F52211 [0,0,0,2,0,0|2,0,0]=4 85 B10R2.71 O=C1CC2CCN(C1)C2 AT25954 [0,0,0,2,0,0|2,0,0]=4 86 B10R2.534 O=C1CCOC2(CC2)C1 AT24691 [0,0,0,2,0,0|2,0,0]=4 87 B10R2.2 O=C1CC2CCCC2C1 AT20192 [0,0,0,2,0,0|1,0,0]=3 88 B10R2.2 O=C1C[C@@H]2CCCN2C1 D74394 [0,0,0,2,0,0|2,0,0]=4 89 B10R2.2 O=C1C[C@@H]2CCC[C@@H]2C1 AT20194 [0,0,0,2,0,0|1,0,0]=3 90 B10R2.2 O=C1C[C@H]2CCO[C@H]2O1 D74252 [0,0,0,2,0,0|1,0,0]=3 91 B10R2.2 O=C1C[C@H]2CSC[C@@H]2C1 D96566 [0,0,0,2,0,0|2,0,0]=4 92 B10R2.32 O=C1CC[C@@H]2CCC[C@H]12 E73246 [0,0,0,2,0,0|1,0,0]=3 93 B10R2.32 O=C1NCC2CCCC12 AT20359 [0,0,0,2,0,0|1,0,0]=3 94 B10R2.32 O=C1NC[C@@H]2CCN[C@H]12 P15658 [0,0,0,2,0,0|2,0,0]=4 95 B10R2.32 O=C1NC[C@@H]2COC[C@H]12 D79547 [0,0,0,2,0,0|2,0,0]=4 96 B10R2.320 O=C1CC2OCCCC12 33449 [0,0,0,2,0,0|2,0,0]=4 97 B10R2.320 O=C1C[C@@H]2CCCC[C@H]12 E73250 [0,0,0,2,0,0|1,0,0]=3 98 B10R2.178 O=C1NCC2CCC1N2 P12579 [0,0,0,2,0,0|2,0,0]=4 99 B10R2.178 O=C1NCC2CC[C@@H]1N2 I10809 [0,0,0,2,0,0|2,0,0]=4 100 B10R2.15 O=C1CCOCC12CC2 P13025 [0,0,0,2,0,0|2,0,0]=4 101 B10R2.15 O=C1CNCCC12CC2 P13520 [0,0,0,2,0,0|2,0,0]=4 102 B10R2.15 O=C1NCCCC12CC2 AT22592 [0,0,0,2,0,0|1,0,0]=3 103 B10R2.41 O=C1C2CCC1CNC2 38655 [0,0,0,2,0,0|2,0,0]=4 104 B10R2.41 O=C1C2CCCC1CC2 E73342 [0,0,0,2,0,0|1,0,0]=3 105 B10R2.41 O=C1[C@@H]2CC[C@H]1CSC2 E71101 [0,0,0,2,0,0|2,0,0]=4 106 B10R2.422 N[C@H]1CNC(=O)C12CC2 P19522 [0,0,0,2,0,0|2,0,0]=4 107 B10R2.190 O=C1CCCC12CCC2 F52959 [0,0,0,2,0,0|1,0,0]=3 108 B10R2.177 CC12CC(=O)CCC1C2 P13990 [0,0,0,2,0,0|1,0,0]=3