0 B5R0.5 CC(C)C(=N)N BB20-1445 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.5 CC(Cl)C(N)=O BB12-1307 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.5 CC(O)C(=N)N BB58-0260 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.5 CN(C)C(=N)N BB58-1392 [0,0,0,0,0,0|4,0,0]=4 4 B4R0.1 C#CC(=C)C BB54-0485 [1,0,0,0,0,0|2,0,1]=4 5 B4R0.1 CC(N)CO BB01-7506 [1,0,0,0,0,0|1,0,2]=4 6 B4R0.1 CCC(=N)N BB54-4123 [1,0,0,0,0,0|2,0,1]=4 7 B4R0.1 COC(=S)[S-] BB12-3031 [1,0,0,0,0,0|1,2,0]=4 8 B4R0.1 CSC(=N)N BB01-6974 [1,0,0,0,0,0|3,0,0]=4 9 B4R0.1 C[C@H](N)CO BB20-1224 [1,0,0,0,0,0|1,0,2]=4 10 B4R0.1 C\C(N)=N\O BB53-1937 [1,0,0,0,0,0|2,0,0]=3 11 B4R0.1 NC(=S)CO BB58-2954 [1,0,0,0,0,0|1,1,1]=4 12 B4R0.1 NC(N)=NO BB57-2413 [1,0,0,0,0,0|3,0,0]=4 13 B6R0.3 CC(C)C(=O)NN BB12-1583 [0,1,0,0,0,0|2,0,1]=4 14 B6R0.3 CC(C)\C(N)=N\O BB53-1938 [0,1,0,0,0,0|2,0,1]=4 15 B6R0.3 CC(O)\C(N)=N\O BB57-3710 [0,1,0,0,0,0|1,0,2]=4 16 B6R0.3 CCC(Br)C(N)=O BB55-8830 [0,1,0,0,0,0|2,0,1]=4 17 B6R0.3 CN(C)C(=O)CBr BB57-2931 [0,1,0,0,0,0|3,0,0]=4 18 B6R0.3 CN(C)C(=O)CO BB12-3698 [0,1,0,0,0,0|2,0,0]=3 19 B6R0.3 CN(C)C(=O)NN BB12-2766 [0,1,0,0,0,0|3,0,0]=4 20 B6R0.3 CNC(=O)C(C)Br BB12-1295 [0,1,0,0,0,0|2,0,1]=4 21 B6R0.3 CNC(=O)C(C)Cl BB55-4738 [0,1,0,0,0,0|2,0,1]=4 22 B6R0.3 CNC(=O)[C@@H](C)N BB32-0279 [0,1,0,0,0,0|2,0,1]=4 23 B6R0.3 CNC(C)C(=O)O BB57-2982 [0,1,0,0,0,0|1,0,1]=3 24 B6R0.3 COC(=N)C(C)C BB12-3132 [0,1,0,0,0,0|2,0,1]=4 25 B6R0.3 COC(=O)N(C)N BB12-2783 [0,1,0,0,0,0|2,0,0]=3 26 B6R0.3 COC(C)C(=O)O BB57-2927 [0,1,0,0,0,0|0,0,2]=3 27 B6R0.3 CSC(C)C(=O)O BB12-2671 [0,1,0,0,0,0|0,1,1]=3 28 B6R0.3 NC(=O)\C(N)=N\O BB12-3387 [0,1,0,0,0,0|2,0,0]=3 29 B6R0.3 NC(CCl)C(=O)O BB57-2456 [0,1,0,0,0,0|1,0,1]=3 30 B6R0.3 NNC(=O)C(N)=O BB12-2523 [0,1,0,0,0,0|2,0,0]=3 31 B6R0.3 O=C(O)C(O)CCl BB57-6579 [0,1,0,0,0,0|0,0,2]=3 32 B6R0.7 CC(=O)C(C)(C)N BB54-1822 [0,1,0,0,0,0|2,0,1]=4 33 B6R0.7 CC(C)(Br)C(N)=O BB55-8836 [0,1,0,0,0,0|2,0,1]=4 34 B6R0.7 CC(C)(N)C(N)=O BB57-1099 [0,1,0,0,0,0|2,0,1]=4 35 B6R0.2 CC(=O)NC(=N)N BB56-2578 [0,0,0,0,0,1|2,0,0]=3 36 B6R0.2 CC(C)=CC(=O)O BB01-7468 [0,0,0,0,0,1|1,0,0]=2 37 B6R0.2 CC(C)NC(N)=O BB01-7616 [0,0,0,0,0,1|2,0,1]=4 38 B6R0.2 CC(N)CC(=O)O BB12-2890 [0,0,0,0,0,1|1,0,1]=3 39 B6R0.2 NC(=O)CC(=O)O BB55-4726 [0,0,0,0,0,1|1,0,0]=2 40 B6R0.2 NC(=O)C[N+](=O)[O-] BB54-0037 [0,0,0,0,0,1|2,0,1]=4 41 B6R0.2 O=C(O)CC(F)F BB31-2950 [0,0,0,0,0,1|2,0,1]=4 42 B3R0.1 NNC=O BB12-2770 [2,0,0,0,0,0|2,0,0]=4 43 B3R0.1 N\C=N/O BB12-3512 [2,0,0,0,0,0|2,0,0]=4 44 B3R0.2 CS(=O)[O-] BB12-1172 [2,0,0,0,0,0|1,0,1]=4 45 B3R0.2 N[13C](N)=O BB54-5648 [2,0,0,0,0,0|2,0,0]=4 46 B5R0.1 CC(=O)CC#N BB54-5411 [1,1,0,0,0,0|1,0,1]=4 47 B5R0.1 CNCC(C)=O BB12-3010 [1,1,0,0,0,0|1,0,1]=4 48 B5R0.1 NC(=O)CCO BB58-1090 [1,1,0,0,0,0|1,0,1]=4 49 B5R0.3 CC\C(N)=N\O BB12-3467 [1,1,0,0,0,0|1,0,1]=4 50 B5R0.3 CNC(=O)CBr BB55-6801 [1,1,0,0,0,0|1,0,1]=4 51 B5R0.3 CNC(=O)CO BB58-0349 [1,1,0,0,0,0|0,0,1]=3 52 B5R0.3 NNC(=O)CO BB12-3095 [1,1,0,0,0,0|1,0,1]=4 53 B5R0.3 NNC(=O)CS BB58-4379 [1,1,0,0,0,0|2,0,0]=4 54 B5R0.3 N\C(CCl)=N/O BB57-3706 [1,1,0,0,0,0|2,0,0]=4 55 B5R0.3 N\C(CO)=N\O BB57-2423 [1,1,0,0,0,0|2,0,0]=4 56 B7R0.2 CCN(C)CC(=O)O BB12-1321 [0,1,0,0,0,1|2,0,0]=4 57 B7R0.2 CNC(=O)CC(=O)O BB55-4725 [0,1,0,0,0,1|0,0,0]=2 58 B7R0.2 CNC(C)CC(=O)O BB12-1285 [0,1,0,0,0,1|1,0,1]=4 59 B7R0.2 COC(=O)C[N+](=O)[O-] BB54-0206 [0,1,0,0,0,1|1,0,1]=4 60 B7R0.9 CC(=O)CS(C)(=O)=O BB12-0011 [0,1,0,0,0,1|1,0,1]=4 61 B7R0.16 CC(C(=O)O)C(=O)O BB20-4558 [0,1,0,0,0,1|1,0,0]=3 62 B7R0.16 CC(C(=O)O)N(C)C BB12-1429 [0,1,0,0,0,1|2,0,0]=4 63 B7R0.5 CC(=O)N(C)CCO BB55-7164 [0,2,0,0,0,0|2,0,0]=4 64 B7R0.5 CC(NC=O)C(=O)O BB12-1345 [0,2,0,0,0,0|0,0,1]=3 65 B7R0.5 CCNC(=O)C(=O)O BB57-2473 [0,2,0,0,0,0|0,0,0]=2 66 B7R0.5 CCOC(=O)N(C)N BB57-3659 [0,2,0,0,0,0|2,0,0]=4 67 B7R0.5 CCSC(C)C(=O)O BB12-3261 [0,2,0,0,0,0|0,1,1]=4 68 B7R0.5 CN(C)C(=O)CCO BB12-3663 [0,2,0,0,0,0|2,0,0]=4 69 B7R0.5 CNCC(C)C(=O)O BB12-1637 [0,2,0,0,0,0|1,0,1]=4 70 B7R0.10 CC(=N/O)\C(N)=N\O BB55-4954 [0,2,0,0,0,0|1,0,1]=4 71 B7R0.10 CCC(N)C(=O)NO BB57-4144 [0,2,0,0,0,0|1,0,1]=4 72 B7R0.10 CNC(=O)\C(N)=N\O BB57-2408 [0,2,0,0,0,0|1,0,0]=3 73 B7R0.10 CNC(C)C(=O)OC BB57-2496 [0,2,0,0,0,0|1,0,1]=4 74 B7R0.10 COC(=O)C(=O)NN BB55-7573 [0,2,0,0,0,0|1,0,0]=3 75 B7R0.10 COC(=O)C(O)CCl BB57-4961 [0,2,0,0,0,0|0,0,2]=4 76 B7R0.10 COC(=O)\C(N)=N\O BB58-1318 [0,2,0,0,0,0|1,0,0]=3 77 B7R0.10 NNC(=O)C(=O)NN BB12-1807 [0,2,0,0,0,0|2,0,0]=4 78 B7R0.13 CCC(C)(N)C(=O)O BB56-0974 [0,2,0,0,0,0|1,0,1]=4 79 B7R0.13 COC(C)(C)C(=O)O BB57-1085 [0,2,0,0,0,0|0,0,2]=4 80 B7R0.15 CCC(CN)C(=O)O BB58-3841 [0,2,0,0,0,0|1,0,1]=4 81 B7R0.15 CCC(NC)C(=O)O BB57-2477 [0,2,0,0,0,0|1,0,1]=4 82 B7R0.15 CCC(OC)C(=O)O BB57-2928 [0,2,0,0,0,0|0,0,2]=4 83 B5R1.2 O=C1CNC1 BB20-3400 [1,0,0,1,0,0|1,0,1]=4 84 B7R1.2 CC1=CC(C)=NO1 BB01-6357 [0,0,0,1,0,1|2,0,0]=4 85 B7R1.2 CC1=NN=C(O)O1 BB12-2756 [0,0,0,1,0,1|2,0,0]=4 86 B7R1.2 CC1=NN=C(O)S1 BB12-3088 [0,0,0,1,0,1|2,0,0]=4 87 B7R1.2 CC1=NOC(N)=C1 BB12-3489 [0,0,0,1,0,1|2,0,0]=4 88 B7R1.2 CC1=NOC(N)=N1 BB12-3433 [0,0,0,1,0,1|2,0,0]=4 89 B7R1.2 CC1COC(=O)N1 BB57-2454 [0,0,0,1,0,1|1,0,1]=4 90 B7R1.2 NC1=CC(=O)NO1 BB54-5766 [0,0,0,1,0,1|2,0,0]=4 91 B7R1.2 O=C1C=C(O)CC1 BB12-0743 [0,0,0,1,0,1|1,0,0]=3 92 B7R1.2 O=C1C=C(O)CO1 BB54-5190 [0,0,0,1,0,1|0,0,1]=3 93 B7R1.2 O=C1CNC(=S)N1 BB20-3124 [0,0,0,1,0,1|1,1,0]=4 94 B7R1.2 O=C1NC(=S)CS1 BB58-2054 [0,0,0,1,0,1|0,2,0]=4 95 B7R1.2 O=[13C]1CC[13C](=O)O1 BB54-5289 [0,0,0,1,0,1|1,0,0]=3 96 B7R1.12 O=C(O)[C@H]1C[C@@H]1F BB31-3333 [0,0,0,1,0,1|1,0,1]=4 97 B7R1.4 CC1=CNNC1=O BB58-3426 [0,1,0,1,0,0|2,0,0]=4 98 B7R1.4 CC1=NON=C1N BB01-4125 [0,1,0,1,0,0|2,0,0]=4 99 B7R1.18 O=C(O)C1CCN1 BB57-4884 [0,1,0,1,0,0|1,0,1]=4 100 B7R1.18 O=C(O)C1CCO1 BB31-4760 [0,1,0,1,0,0|0,0,2]=4 101 B7R1.22 COC(=O)C1CN1 BB58-4742 [0,1,0,1,0,0|1,0,1]=4 102 B7R0.6 C=C(C)COC(C)=O BB12-2984 [0,0,0,0,0,2|2,0,0]=4 103 B7R0.6 CC(=O)OCC(=O)Cl BB12-3445 [0,0,0,0,0,2|1,0,0]=3 104 B7R0.6 CC(C)=NNC(N)=O BB12-2973 [0,0,0,0,0,2|2,0,0]=4 105 B7R0.6 CC(C)SCC(=O)O BB12-3365 [0,0,0,0,0,2|1,0,1]=4 106 B7R0.6 CN(C)CCC(=O)O BB55-3488 [0,0,0,0,0,2|2,0,0]=4 107 B7R0.6 N=C(N)SCC(=O)O BB55-4565 [0,0,0,0,0,2|2,0,0]=4 108 B7R0.6 NC(=O)NNC(N)=O BB12-2767 [0,0,0,0,0,2|2,0,0]=4