0 B6R0.1 CC(CN)CCN BB12-1906 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.1 CC[C@H](N)COC BB20-3253 [0,0,0,0,0,0|4,0,0]=4 2 B6R0.1 CNC(C)CCO BB05-4613 [0,0,0,0,0,0|1,0,2]=3 3 B6R0.1 CNC(C)CCO BB12-1373 [0,0,0,0,0,0|1,0,2]=3 4 B6R0.1 CNCC(C)OC BB55-4648 [0,0,0,0,0,0|2,1,0]=3 5 B6R0.1 COC(C)CCN BB57-3649 [0,0,0,0,0,0|1,1,1]=3 6 B6R0.1 COCC(C)C#N BB55-7988 [0,0,0,0,0,0|4,0,0]=4 7 B5R0.1 CC(N)CCO BB57-1076 [1,0,0,0,0,0|1,0,2]=4 8 B5R0.1 CC(O)CNN BB58-3435 [1,0,0,0,0,0|2,1,0]=4 9 B5R0.1 CNCC(C)O BB12-1288 [1,0,0,0,0,0|2,1,0]=4 10 B5R0.2 CNCCSC BB57-4145 [1,0,0,0,0,0|2,0,0]=3 11 B5R0.2 COCCNN BB58-0266 [1,0,0,0,0,0|2,1,0]=4 12 B5R0.2 CSCCC#N BB12-3714 [1,0,0,0,0,0|1,0,1]=3 13 B5R0.2 [C-]#[N+]CCCC BB56-0718 [1,0,0,0,0,0|3,0,0]=4 14 B5R0.2 [C-]#[N+]CCOC BB56-1837 [1,0,0,0,0,0|2,1,0]=4 15 B5R0.3 CC(C#N)CCl BB01-7479 [1,0,0,0,0,0|3,0,0]=4 16 B5R0.3 CC(CN)CO BB57-2245 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.3 CCC(C)NC BB53-1672 [1,0,0,0,0,0|1,0,1]=3 18 B5R0.3 CNC(C)CO BB12-1570 [1,0,0,0,0,0|1,0,1]=3 19 B5R0.3 COC(C)C#N BB57-3722 [1,0,0,0,0,0|1,1,1]=4 20 B5R0.3 COC(C)CN BB55-4647 [1,0,0,0,0,0|1,1,0]=3 21 B5R0.3 [C-]#[N+]C(C)CC BB56-1204 [1,0,0,0,0,0|1,0,2]=4 22 B7R0.2 CCC(C)NC(N)=O BB01-7615 [0,1,0,0,0,0|2,0,0]=3 23 B7R0.2 CCN(C)CC(=O)O BB12-1321 [0,1,0,0,0,0|2,0,0]=3 24 B7R0.2 CCN(C)CC(C)=O BB12-2316 [0,1,0,0,0,0|2,0,0]=3 25 B7R0.2 CNC(=O)CC(=O)O BB55-4725 [0,1,0,0,0,0|2,0,1]=4 26 B7R0.2 CNC(C)CC(=O)O BB12-1285 [0,1,0,0,0,0|1,0,0]=2 27 B7R0.5 CC(CCN)N(C)C BB12-1370 [0,1,0,0,0,0|2,0,1]=4 28 B7R0.5 CC(CCO)N(C)C BB12-3646 [0,1,0,0,0,0|1,0,2]=4 29 B7R0.5 CC(NC=O)C(=O)O BB12-1345 [0,1,0,0,0,0|3,0,0]=4 30 B7R0.7 CCNC(C)CCO BB12-1398 [0,1,0,0,0,0|1,0,2]=4 31 B7R0.11 COC(C)(C)CCN BB12-2310 [0,1,0,0,0,0|1,1,1]=4 32 B7R1.1 CNC1CCCC1 BB53-1678 [0,0,0,1,0,0|2,0,1]=4 33 B7R1.2 CC1CNC(=O)C1 BB58-5429 [0,0,0,1,0,0|2,0,0]=3 34 B7R1.2 CC1CNC(=O)O1 BB57-3655 [0,0,0,1,0,0|3,0,0]=4 35 B7R1.2 CC1COC(=O)N1 BB57-2454 [0,0,0,1,0,0|3,0,0]=4 36 B7R1.3 CC1CCOCC1 BB32-2892 [0,0,0,1,0,0|1,0,2]=4 37 B7R1.3 CC1CNCCO1 BB57-2444 [0,0,0,1,0,0|2,1,0]=4 38 B7R1.6 CNCC1CCC1 BB12-1623 [0,0,0,1,0,0|3,0,0]=4 39 B7R1.6 N#CCC1CCC1 BB57-4846 [0,0,0,1,0,0|2,0,1]=4 40 B7R1.6 NNCC1CCC1 BB58-1933 [0,0,0,1,0,0|3,0,0]=4 41 B7R1.6 OCCC1CCC1 BB31-5201 [0,0,0,1,0,0|1,0,2]=4 42 B4R0.1 CC(C)NN BB54-0473 [2,0,0,0,0,0|2,0,0]=4 43 B4R0.1 CC(N)CO BB01-7506 [2,0,0,0,0,0|1,0,1]=4 44 B4R0.1 C[C@H](N)CO BB20-1224 [2,0,0,0,0,0|1,0,1]=4 45 B4R0.2 CCCNN BB58-2805 [2,0,0,0,0,0|2,0,0]=4 46 B4R0.2 CNCCCl BB57-4776 [2,0,0,0,0,0|2,0,0]=4 47 B4R0.2 CNCCI BB57-4692 [2,0,0,0,0,0|2,0,0]=4 48 B4R0.2 CSCCCl BB53-1396 [2,0,0,0,0,0|1,0,0]=3 49 B4R0.2 CSCCN BB12-0970 [2,0,0,0,0,0|1,0,0]=3 50 B6R0.2 CC(C)=CC(=O)O BB01-7468 [1,1,0,0,0,0|0,0,2]=4 51 B6R0.2 CC(C)NC(N)=O BB01-7616 [1,1,0,0,0,0|1,0,0]=3 52 B6R0.2 CC(N)CC(=O)O BB12-2890 [1,1,0,0,0,0|1,0,0]=3 53 B6R0.2 O=C(O)CC(F)F BB31-2950 [1,1,0,0,0,0|2,0,0]=4 54 B6R0.3 CC(C)C(N)CO BB01-7497 [1,1,0,0,0,0|0,0,2]=4 55 B6R0.3 CC(C)C(O)C#N BB57-3716 [1,1,0,0,0,0|1,0,1]=4 56 B6R0.3 CC(C)C(O)CN BB58-1333 [1,1,0,0,0,0|1,0,1]=4 57 B6R0.4 C=CCNC(C)C BB12-1319 [1,1,0,0,0,0|1,0,0]=3 58 B6R0.4 CC(C)CN=C=O BB01-8145 [1,1,0,0,0,0|0,0,1]=3 59 B6R0.4 CC(C)SCCCl BB53-1373 [1,1,0,0,0,0|1,0,1]=4 60 B6R0.4 CC(C)SCCN BB53-1544 [1,1,0,0,0,0|1,0,1]=4 61 B6R0.4 CC(C)SCCO BB53-1392 [1,1,0,0,0,0|0,0,2]=4 62 B6R0.5 C(=O)NC(C)(C)C BB20-3385 [1,1,0,0,0,0|1,0,0]=3 63 B6R0.5 CC(C)(O)CC#N BB57-2240 [1,1,0,0,0,0|1,0,1]=4 64 B6R0.5 CC(C)(O)CCN BB57-2241 [1,1,0,0,0,0|1,0,1]=4 65 B6R0.5 CC(C)(O)CNN BB58-0368 [1,1,0,0,0,0|2,0,0]=4 66 B6R0.5 CNCC(C)(C)C BB57-2938 [1,1,0,0,0,0|2,0,0]=4 67 B6R0.5 CNCC(C)(C)O BB58-0276 [1,1,0,0,0,0|2,0,0]=4 68 B6R0.5 COCC(C)(C)N BB53-1697 [1,1,0,0,0,0|2,0,0]=4 69 B6R0.6 CCSCCNC BB12-0971 [1,1,0,0,0,0|2,0,0]=4 70 B6R0.8 CCC(C)(N)CC BB58-0626 [1,1,0,0,0,0|1,0,1]=4 71 B6R0.8 CCC(C)(N)CO BB56-2220 [1,1,0,0,0,0|1,0,1]=4 72 B6R0.8 CCC(C)(O)CN BB58-5227 [1,1,0,0,0,0|2,0,0]=4 73 B6R0.8 COC(C)(C)CN BB55-4624 [1,1,0,0,0,0|1,1,0]=4 74 B8R0.5 CCCC(N)CC(=O)O BB12-1701 [0,2,0,0,0,0|2,0,0]=4 75 B8R0.5 CN(CCO)CC(=O)O BB12-1628 [0,2,0,0,0,0|2,0,0]=4 76 B8R0.16 CCN(CC)CC(=O)O BB57-1160 [0,2,0,0,0,0|2,0,0]=4 77 B8R0.16 COC(CC(=O)O)OC BB58-0350 [0,2,0,0,0,0|0,1,0]=3 78 B8R0.19 CCN(C)CC(=O)NN BB12-2715 [0,2,0,0,0,0|2,0,0]=4 79 B8R0.23 CC(C)N(C)CC(=O)O BB58-1905 [0,2,0,0,0,0|2,0,0]=4 80 B8R0.23 CC(C)[C@H](N)CC(=O)O BB01-8380 [0,2,0,0,0,0|2,0,0]=4 81 B8R0.23 CC(CC(=O)O)N(C)C BB12-1308 [0,2,0,0,0,0|1,0,0]=3 82 B8R0.9 CCC(N)CCC(=O)O BB57-2163 [0,2,0,0,0,0|2,0,0]=4 83 B8R0.9 CCN(C)CCC(=O)O BB12-3650 [0,2,0,0,0,0|2,0,0]=4 84 B6R1.3 CNCC1CC1 BB55-8900 [1,0,0,1,0,0|2,0,0]=4 85 B6R1.3 NNCC1CC1 BB58-1934 [1,0,0,1,0,0|2,0,0]=4 86 B6R1.7 CC1(CN)CC1 BB58-3753 [1,0,0,1,0,0|2,0,0]=4 87 B8R1.1 CCC1COC(=O)N1 BB57-3665 [0,1,0,1,0,0|2,0,0]=4 88 B8R1.1 O=C1CC(CO)CN1 BB57-1047 [0,1,0,1,0,0|2,0,0]=4 89 B8R1.1 O=C1CCC(CBr)O1 BB58-1167 [0,1,0,1,0,0|2,0,0]=4 90 B8R1.1 O=C1CCC(CCl)O1 BB54-5256 [0,1,0,1,0,0|2,0,0]=4 91 B8R1.4 CC1CC(=O)CCN1 BB54-5684 [0,1,0,1,0,0|1,0,0]=3 92 B8R1.4 CC1CCCC(=O)N1 BB58-1969 [0,1,0,1,0,0|2,0,0]=4 93 B8R1.18 CN1CC(N)CC1=O BB58-3545 [0,1,0,1,0,0|2,0,0]=4 94 B8R1.34 O=C(O)CC1CCC1 BB55-4828 [0,1,0,1,0,0|1,0,0]=3 95 B8R1.51 CC1(C)CC(=O)CO1 BB58-3838 [0,1,0,1,0,0|0,1,0]=3 96 B8R1.51 CC1(C)CCC(=O)N1 BB12-1604 [0,1,0,1,0,0|2,0,0]=4 97 B8R1.51 CC1(C)CNC(=O)C1 BB58-3757 [0,1,0,1,0,0|2,0,0]=4