0 B7R0.4 CC(=O)NCCCN BB32-2735 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.4 CC(=O)NCCCO BB12-3384 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.4 CCCCNC(C)C BB55-6366 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.4 CCCNCC(=O)O BB20-0186 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.4 CCCNCC(C)O BB58-2124 [0,0,0,0,0,0|1,0,3]=4 5 B7R0.4 CCCOCC(=O)O BB55-7872 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.4 CCCSCC(=O)O BB12-3263 [0,0,0,0,0,0|2,0,1]=3 7 B7R0.4 CCOCCC(=O)Cl BB58-1931 [0,0,0,0,0,0|2,0,2]=4 8 B7R0.4 CCO\C=C\C(C)C BB57-4132 [0,0,0,0,0,0|2,0,1]=3 9 B7R0.4 CCSCCC(=O)O BB12-3270 [0,0,0,0,0,0|2,0,2]=4 10 B7R0.4 NC(=O)CSCCO BB53-1357 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.4 O=C(O)CNCCO BB58-1263 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.4 CC(=O)NCC#N BB57-3731 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.4 CCCCC(N)=S BB31-3291 [1,0,0,0,0,0|1,1,1]=4 14 B6R0.4 CCCNC(N)=O BB01-7603 [1,0,0,0,0,0|2,0,0]=3 15 B6R0.4 CCOCC(=O)Cl BB01-8267 [1,0,0,0,0,0|2,0,1]=4 16 B6R0.4 CCSCC(=O)O BB12-3264 [1,0,0,0,0,0|2,0,1]=4 17 B6R0.4 CNCCC(=O)O BB12-1452 [1,0,0,0,0,0|2,0,1]=4 18 B6R0.4 COCCC(=O)Cl BB20-1617 [1,0,0,0,0,0|2,0,1]=4 19 B6R0.4 COCCC(C)=O BB58-1056 [1,0,0,0,0,0|1,0,1]=3 20 B6R0.4 NC(=O)CCCCl BB57-2489 [1,0,0,0,0,0|2,0,1]=4 21 B6R0.4 NCCCC(N)=O BB57-4725 [1,0,0,0,0,0|2,0,1]=4 22 B6R0.6 CCCCCNC BB57-3734 [1,0,0,0,0,0|1,0,2]=4 23 B8R0.5 CCCC(N)CC(=O)O BB12-1701 [0,1,0,0,0,0|1,0,2]=4 24 B8R0.5 CCNC(=O)CC(=O)O BB57-2976 [0,1,0,0,0,0|2,0,1]=4 25 B8R0.5 COCC(=O)CC(C)=O BB58-1952 [0,1,0,0,0,0|1,0,1]=3 26 B8R0.6 COCCCC(=O)OC BB57-3708 [0,1,0,0,0,0|1,0,2]=4 27 B8R0.7 CCCCNCC(=O)O BB20-0185 [0,1,0,0,0,0|1,0,2]=4 28 B8R0.7 COCCCNC(N)=O BB01-7612 [0,1,0,0,0,0|2,0,1]=4 29 B8R0.8 CCCCC(N)C(C)=O BB54-3218 [0,1,0,0,0,0|0,0,2]=3 30 B8R0.8 CCCC[C@H](N)C(=O)O BB12-2277 [0,1,0,0,0,0|1,0,2]=4 31 B8R0.8 CCCOC(C)C(=O)O BB55-7871 [0,1,0,0,0,0|2,0,1]=4 32 B8R0.9 CCC(N)CCC(=O)O BB57-2163 [0,1,0,0,0,0|1,0,2]=4 33 B8R0.28 CC(C)CNCC(=O)O BB20-0181 [0,1,0,0,0,0|2,0,1]=4 34 B8R1.1 CC1=CC=C(CCl)S1 BB58-3265 [0,0,0,1,0,0|1,1,1]=4 35 B8R1.1 CC1=CC=C(CN)S1 BB55-8315 [0,0,0,1,0,0|1,1,1]=4 36 B8R1.1 CC1=CC=C(CO)S1 BB90-0120 [0,0,0,1,0,0|1,1,1]=4 37 B8R1.1 CCC1=NN(C)C=C1 BB57-2379 [0,0,0,1,0,0|2,0,1]=4 38 B8R1.1 CCC1COC(=O)N1 BB57-3665 [0,0,0,1,0,0|2,0,1]=4 39 B8R1.1 CCN1C=CC(C)=N1 BB55-3445 [0,0,0,1,0,0|2,0,0]=3 40 B8R1.1 CCN1C=CC(N)=N1 BB55-3816 [0,0,0,1,0,0|3,0,0]=4 41 B8R1.1 CCN1C=NC(C)=C1 BB58-4998 [0,0,0,1,0,0|3,0,0]=4 42 B8R1.1 O=C1CC(CO)CN1 BB57-1047 [0,0,0,1,0,0|2,0,1]=4 43 B8R1.4 CC1CC(=O)CCN1 BB54-5684 [0,0,0,1,0,0|1,0,2]=4 44 B8R1.4 CC1CCCC(=O)N1 BB58-1969 [0,0,0,1,0,0|1,0,2]=4 45 B8R1.7 CC(=O)C1CCCC1 BB55-6362 [0,0,0,1,0,0|0,0,2]=3 46 B8R1.7 NC(=O)C1=NCCN1 BB54-1663 [0,0,0,1,0,0|3,0,0]=4 47 B8R1.7 NC(=O)[C@@H]1CCCN1 BB12-3488 [0,0,0,1,0,0|2,0,1]=4 48 B8R1.7 O=C(Cl)C1CCCO1 BB20-1591 [0,0,0,1,0,0|2,0,1]=4 49 B8R1.22 O=C1CCOCCN1 BB20-4217 [0,0,0,1,0,0|2,0,1]=4 50 B8R1.22 O=C1CCSCCN1 BB57-4185 [0,0,0,1,0,0|2,0,1]=4 51 B8R1.34 O=C(O)CC1CCC1 BB55-4828 [0,0,0,1,0,0|1,0,2]=4 52 B8R1.35 O=C(O)C#CC1CC1 BB58-3544 [0,0,0,1,0,0|1,0,2]=4 53 B5R0.1 CC(=O)CC#N BB54-5411 [2,0,0,0,0,0|1,0,1]=4 54 B5R0.1 CCOC(C)=N BB12-3674 [2,0,0,0,0,0|2,0,0]=4 55 B5R0.1 CNCC(C)=O BB12-3010 [2,0,0,0,0,0|1,0,0]=3 56 B5R0.1 CS(=O)CCN BB55-5915 [2,0,0,0,0,0|2,0,0]=4 57 B5R0.1 NC(=O)CCO BB58-1090 [2,0,0,0,0,0|2,0,0]=4 58 B5R0.2 C=COCCN BB57-6790 [2,0,0,0,0,0|2,0,0]=4 59 B7R0.2 CCC(C)NC(N)=O BB01-7615 [1,1,0,0,0,0|2,0,0]=4 60 B7R0.2 CCN(C)CC(C)=O BB12-2316 [1,1,0,0,0,0|1,0,1]=4 61 B7R0.3 CCC(=O)NCCN BB12-2323 [1,1,0,0,0,0|2,0,0]=4 62 B7R0.3 CCCCC(=O)NN BB12-2550 [1,1,0,0,0,0|1,0,1]=4 63 B7R0.3 CCO\C=C(\C)C=O BB12-3547 [1,1,0,0,0,0|1,0,0]=3 64 B7R0.3 CNC(=O)CCCN BB55-7167 [1,1,0,0,0,0|1,0,1]=4 65 B7R0.3 CNCCC(=O)NC BB12-1428 [1,1,0,0,0,0|1,0,1]=4 66 B7R0.3 O=C(CCl)NCCCl BB57-4227 [1,1,0,0,0,0|2,0,0]=4 67 B7R0.5 CC(=O)N(C)CCO BB55-7164 [1,1,0,0,0,0|2,0,0]=4 68 B7R0.5 CCNC(=O)C(=O)O BB57-2473 [1,1,0,0,0,0|2,0,0]=4 69 B7R0.6 C=C(C)COC(C)=O BB12-2984 [1,1,0,0,0,0|1,0,1]=4 70 B7R0.6 CC(C)CNC(N)=O BB01-7595 [1,1,0,0,0,0|2,0,0]=4 71 B9R0.6 CCOC(=O)C(C)C(C)=O BB01-7319 [0,2,0,0,0,0|1,0,1]=4 72 B9R0.55 CC(=O)CCCOC(C)=O BB54-0058 [0,2,0,0,0,0|1,0,1]=4 73 B7R1.2 CC1CNC(=O)C1 BB58-5429 [1,0,0,1,0,0|1,0,0]=3 74 B7R1.2 CC1CNC(=O)O1 BB57-3655 [1,0,0,1,0,0|2,0,0]=4 75 B7R1.2 CC1COC(=O)N1 BB57-2454 [1,0,0,1,0,0|2,0,0]=4 76 B7R1.3 CC1=CCNCC1 BB57-2457 [1,0,0,1,0,0|2,0,0]=4 77 B7R1.3 O=C1CNCCN1 BB54-4362 [1,0,0,1,0,0|2,0,0]=4 78 B7R1.3 O=C1CSCCN1 BB20-1255 [1,0,0,1,0,0|2,0,0]=4 79 B7R1.14 O=S1(=O)C=CCC1 BB54-3187 [1,0,0,1,0,0|2,0,0]=4 80 B7R1.18 NC(=O)C1CCC1 BB12-3033 [1,0,0,1,0,0|1,0,1]=4 81 B7R1.20 O=C(Cl)CC1CC1 BB57-3744 [1,0,0,1,0,0|1,0,1]=4 82 B9R1.7 CC1=NC(CCN)=CS1 BB20-1571 [0,1,0,1,0,0|2,0,0]=4 83 B9R1.7 CC1=NN(CCBr)C=C1 BB54-3615 [0,1,0,1,0,0|2,0,0]=4 84 B9R1.7 CC1=NN(CCN)C=C1 BB05-2434 [0,1,0,1,0,0|2,0,0]=4 85 B9R1.7 CC1=NN(CCO)C=C1 BB05-2450 [0,1,0,1,0,0|2,0,0]=4 86 B9R1.7 CCCC1=NC(Br)=CN1 BB12-3517 [0,1,0,1,0,0|2,0,0]=4 87 B9R1.7 CCCC1CNC(=O)C1 BB55-7002 [0,1,0,1,0,0|0,0,2]=4 88 B9R1.7 CCCN1C=CC(N)=N1 BB05-2156 [0,1,0,1,0,0|2,0,0]=4 89 B9R1.7 CCCN1C=CC(N)=N1 BB55-3923 [0,1,0,1,0,0|2,0,0]=4 90 B9R1.7 CNCC1=CC(C)=NN1 BB55-2981 [0,1,0,1,0,0|2,0,0]=4 91 B9R1.7 CNCC1=CC(C)=NO1 BB05-4335 [0,1,0,1,0,0|1,0,1]=4 92 B9R1.7 CNCC1=CC(C)=NO1 BB55-3950 [0,1,0,1,0,0|1,0,1]=4 93 B9R1.7 CNCC1=NC(C)=CS1 BB55-8326 [0,1,0,1,0,0|2,0,0]=4 94 B9R1.7 CNCC1=NC=C(C)S1 BB55-8339 [0,1,0,1,0,0|1,1,0]=4 95 B9R1.7 COCC1=NNC(C)=C1 BB57-3755 [0,1,0,1,0,0|2,0,0]=4 96 B9R1.22 CCN1N=C(C)C=C1N BB05-2310 [0,1,0,1,0,0|2,0,0]=4 97 B9R1.34 CC1CC(=O)C=C(N)C1 BB58-3335 [0,1,0,1,0,0|0,0,0]=2 98 B9R1.41 CC(=O)C1=C(C)N=CS1 BB57-3729 [0,1,0,1,0,0|1,0,1]=4 99 B9R1.41 CC(=O)C1=C(C)NN=C1 BB54-5351 [0,1,0,1,0,0|1,0,1]=4 100 B9R1.41 CC(=O)C1=CC=NN1C BB57-0010 [0,1,0,1,0,0|1,0,1]=4 101 B9R1.41 CC(=O)C1=NC=CN1C BB58-3607 [0,1,0,1,0,0|1,0,1]=4 102 B9R1.41 CC(=O)C1=NC=NN1C BB54-4941 [0,1,0,1,0,0|2,0,0]=4 103 B9R1.41 NC(=S)C1=C(N)CCC1 BB54-5575 [0,1,0,1,0,0|1,1,0]=4 104 B9R1.48 CC1CCCCC(=O)N1 BB58-0638 [0,1,0,1,0,0|1,0,1]=4 105 B9R1.137 CC(=O)CC(=O)C1CC1 BB12-3707 [0,1,0,1,0,0|0,0,1]=3 106 B9R1.171 CC(=O)NC1(C)CCC1 BB57-5820 [0,1,0,1,0,0|1,0,1]=4 107 B9R1.2 CCN1CCNC(=O)C1 BB57-3671 [0,1,0,1,0,0|1,0,1]=4 108 B9R1.2 NCC1CCNC(=O)C1 BB31-2480 [0,1,0,1,0,0|1,0,1]=4 109 B9R1.11 CNC(=O)C1CCCC1 BB12-1626 [0,1,0,1,0,0|0,0,2]=4 110 B9R1.11 CNC(=O)C1CCCN1 BB58-0643 [0,1,0,1,0,0|1,0,1]=4 111 B9R1.11 COC(=O)C1CCCC1 BB12-2996 [0,1,0,1,0,0|0,0,2]=4 112 B9R1.11 NCC(=O)N1CCCC1 BB57-2442 [0,1,0,1,0,0|1,0,1]=4 113 B9R1.21 CCN1C=CC(C=O)=N1 BB57-3047 [0,1,0,1,0,0|2,0,0]=4 114 B9R1.21 CCN1C=CC(CCl)=N1 BB05-4031 [0,1,0,1,0,0|2,0,0]=4 115 B9R1.21 CCN1C=CC(CCl)=N1 BB57-3120 [0,1,0,1,0,0|2,0,0]=4 116 B9R1.21 CCN1C=CC(CN)=N1 BB05-1127 [0,1,0,1,0,0|2,0,0]=4 117 B9R1.21 CCN1C=CC(CN)=N1 BB57-3141 [0,1,0,1,0,0|2,0,0]=4 118 B9R1.21 CCN1C=CC(CO)=N1 BB58-3471 [0,1,0,1,0,0|2,0,0]=4 119 B9R1.49 CC1CCNC(=O)CC1 BB58-4537 [0,1,0,1,0,0|1,0,1]=4 120 B9R1.50 O=C1CCCCCCC1 BB12-2910 [0,1,0,1,0,0|0,0,2]=4 121 B9R1.79 COC(=O)CC1CCC1 BB31-7337 [0,1,0,1,0,0|0,0,2]=4 122 B9R1.80 O=C(CCl)NCC1CC1 BB32-2854 [0,1,0,1,0,0|1,0,1]=4 123 B9R1.6 CC(C)=C1CCNCC1 BB12-2924 [0,1,0,1,0,0|1,0,1]=4 124 B9R1.23 CCN1C=C(Br)C(C)=N1 BB55-3828 [0,1,0,1,0,0|2,0,0]=4 125 B9R1.23 CCN1C=C(Cl)C(C)=N1 BB57-0028 [0,1,0,1,0,0|2,0,0]=4 126 B9R1.23 CCN1C=C(I)C(C)=N1 BB57-1273 [0,1,0,1,0,0|2,0,0]=4 127 B9R1.23 CCN1C=C(N)C(C)=N1 BB55-4129 [0,1,0,1,0,0|2,0,0]=4 128 B9R1.35 CC(=O)C1=CN(C)N=C1 BB55-2244 [0,1,0,1,0,0|2,0,0]=4 129 B9R1.35 CC(=O)C1=CSC(C)=N1 BB55-8336 [0,1,0,1,0,0|1,0,1]=4 130 B9R1.35 CC(=O)N1CCC(O)C1 BB58-2199 [0,1,0,1,0,0|1,0,1]=4 131 B9R1.35 CC1=NN(C(C)C)C=C1 BB57-1538 [0,1,0,1,0,0|2,0,0]=4 132 B9R2.139 O=C1CC2(CC2)CN1 BB58-3835 [0,0,0,2,0,0|1,0,1]=4 133 B9R2.109 O=C1CCCC2CC12 BB32-3528 [0,0,0,2,0,0|0,0,2]=4