0 B6R0.1 CC(CN)CCN BB12-1906 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.1 CCNC(C)CO BB12-1659 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.1 CC[C@H](N)COC BB20-3253 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.1 CNC(=O)CCCl BB12-1619 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.1 CNC(=O)CCN BB12-1715 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.1 CNC(=O)CCO BB12-3660 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.1 CNC(C)CCO BB12-1373 [0,0,0,0,0,0|1,0,0]=1 7 B6R0.1 COC(=O)CCN BB12-2761 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.1 COC(=O)CCO BB12-1300 [0,0,0,0,0,0|2,0,1]=3 9 B6R0.1 N\C(CCO)=N/O BB12-3471 [0,0,0,0,0,0|3,0,1]=4 10 B5R0.1 CNCC(C)O BB12-1288 [1,0,0,0,0,0|3,0,0]=4 11 B5R0.2 CCSCCN BB53-1545 [1,0,0,0,0,0|2,0,0]=3 12 B5R0.2 CSCCC#N BB12-3714 [1,0,0,0,0,0|2,0,1]=4 13 B5R0.2 [C-]#[N+]CCCC BB56-0718 [1,0,0,0,0,0|2,0,0]=3 14 B5R0.2 [C-]#[N+]CCOC BB56-1837 [1,0,0,0,0,0|3,0,0]=4 15 B5R0.3 CCC(C)NC BB53-1672 [1,0,0,0,0,0|1,0,0]=2 16 B5R0.3 CC\C(N)=N\O BB12-3467 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.3 CNC(C)CO BB12-1570 [1,0,0,0,0,0|1,0,0]=2 18 B5R0.3 [C-]#[N+]C(C)CC BB56-1204 [1,0,0,0,0,0|1,0,1]=3 19 B7R0.2 CC(CO)CN(C)C BB12-3644 [0,1,0,0,0,0|3,0,0]=4 20 B7R0.2 CCN(C)CC(=O)O BB12-1321 [0,1,0,0,0,0|1,0,1]=3 21 B7R0.2 CCN(C)CC(C)=O BB12-2316 [0,1,0,0,0,0|1,0,2]=4 22 B7R0.2 CNC(C)CC(=O)O BB12-1285 [0,1,0,0,0,0|1,0,1]=3 23 B7R0.3 CCC(=O)NCCN BB12-2323 [0,1,0,0,0,0|2,0,1]=4 24 B7R0.3 CCCCC(N)CO BB56-2048 [0,1,0,0,0,0|3,0,0]=4 25 B7R0.3 CCN(C)CCCN BB12-1555 [0,1,0,0,0,0|2,0,0]=3 26 B7R0.3 CCN(C)CCCO BB12-3254 [0,1,0,0,0,0|1,0,0]=2 27 B7R0.3 CSCCC(N)CO BB56-2047 [0,1,0,0,0,0|2,1,0]=4 28 B7R0.5 CC(CCN)N(C)C BB12-1370 [0,1,0,0,0,0|2,0,0]=3 29 B7R0.5 CC(CCO)N(C)C BB12-3646 [0,1,0,0,0,0|1,0,0]=2 30 B7R0.5 CN(C)C(=O)CCO BB12-3663 [0,1,0,0,0,0|2,0,1]=4 31 B7R0.7 CCNC(C)CCO BB12-1398 [0,1,0,0,0,0|0,0,0]=1 32 B7R0.7 CCOC(=N)CCCl BB12-2325 [0,1,0,0,0,0|2,0,1]=4 33 B7R0.7 CCOC(=O)CCO BB12-1446 [0,1,0,0,0,0|1,0,1]=3 34 B7R0.7 CNCC(O)COC BB17-0811 [0,1,0,0,0,0|3,0,0]=4 35 B7R0.10 CCN(C)C(=O)CCl BB12-2479 [0,1,0,0,0,0|2,0,1]=4 36 B7R0.11 CCS(=O)(=O)CCCl BB53-1535 [0,1,0,0,0,0|3,0,0]=4 37 B7R0.11 CCS(=O)(=O)CCN BB53-1627 [0,1,0,0,0,0|3,0,0]=4 38 B7R0.11 CCS(=O)(=O)CCO BB53-1534 [0,1,0,0,0,0|2,0,0]=3 39 B7R0.11 COC(C)(C)CCN BB12-2310 [0,1,0,0,0,0|2,0,0]=3 40 B7R0.12 CCOC(CC)CBr BB12-3730 [0,1,0,0,0,0|2,0,0]=3 41 B7R1.1 CNC1CCCC1 BB53-1678 [0,0,0,1,0,0|2,0,0]=3 42 B7R1.3 NC1CCCOC1 BB12-2177 [0,0,0,1,0,0|3,0,0]=4 43 B7R1.3 OC1CCOCC1 BB12-1171 [0,0,0,1,0,0|1,0,0]=2 44 B7R1.3 OC1CCSCC1 BB53-1540 [0,0,0,1,0,0|1,1,0]=3 45 B7R1.6 CNCC1CCC1 BB12-1623 [0,0,0,1,0,0|2,0,0]=3 46 B4R0.2 CSCCCl BB53-1396 [2,0,0,0,0,0|2,0,0]=4 47 B4R0.2 CSCCN BB12-0970 [2,0,0,0,0,0|2,0,0]=4 48 B6R0.2 CC(N)CC(=O)O BB12-2890 [1,1,0,0,0,0|1,0,1]=4 49 B6R0.3 CC(C)\C(N)=N\O BB53-1938 [1,1,0,0,0,0|1,0,1]=4 50 B6R0.3 CC(CN)N(C)C BB12-3256 [1,1,0,0,0,0|2,0,0]=4 51 B6R0.3 CN(C)C(=O)CO BB12-3698 [1,1,0,0,0,0|1,0,1]=4 52 B6R0.4 C=CCNC(C)C BB12-1319 [1,1,0,0,0,0|1,0,1]=4 53 B6R0.4 CC(C)CN=C=O BB01-8145 [1,1,0,0,0,0|0,0,2]=4 54 B6R0.4 CC(C)SCCCl BB53-1373 [1,1,0,0,0,0|1,0,0]=3 55 B6R0.4 CC(C)SCCN BB53-1544 [1,1,0,0,0,0|1,0,0]=3 56 B6R0.4 CC(C)SCCO BB53-1392 [1,1,0,0,0,0|0,0,0]=2 57 B6R0.4 CCNCC(C)O BB12-1676 [1,1,0,0,0,0|2,0,0]=4 58 B6R0.4 [C-]#[N+]CCN(C)C BB56-1617 [1,1,0,0,0,0|2,0,0]=4 59 B6R0.5 COCC(C)(C)N BB53-1697 [1,1,0,0,0,0|2,0,0]=4 60 B6R0.5 CS(=O)(=O)CCO BB53-1360 [1,1,0,0,0,0|2,0,0]=4 61 B6R0.6 CCCSCCN BB53-1582 [1,1,0,0,0,0|1,0,0]=3 62 B6R0.6 CCSCCNC BB12-0971 [1,1,0,0,0,0|2,0,0]=4 63 B6R0.6 [C-]#[N+]CCCOC BB56-1464 [1,1,0,0,0,0|1,0,1]=4 64 B6R0.8 CCC(C)(N)CO BB56-2220 [1,1,0,0,0,0|0,0,0]=2 65 B6R0.9 CCC(C#N)NC BB12-1702 [1,1,0,0,0,0|1,0,1]=4 66 B8R0.5 CCCC(N)CC(=O)O BB12-1701 [0,2,0,0,0,0|1,0,1]=4 67 B8R0.5 CN(CCO)CC(=O)O BB12-1628 [0,2,0,0,0,0|1,0,1]=4 68 B8R0.19 CCN(C)CC(C)CN BB12-1352 [0,2,0,0,0,0|2,0,0]=4 69 B8R0.23 CC(CC(=O)O)N(C)C BB12-1308 [0,2,0,0,0,0|1,0,1]=4 70 B8R0.3 CCN(C)C(C)CCN BB12-1353 [0,2,0,0,0,0|1,0,0]=3 71 B8R0.9 CCN(C)CCC(=O)O BB12-3650 [0,2,0,0,0,0|1,0,0]=3 72 B8R0.9 CCS(=O)CCC(=O)O BB12-3269 [0,2,0,0,0,0|2,0,0]=4 73 B8R0.12 CC(C)S(=O)(=O)CCO BB53-1566 [0,2,0,0,0,0|2,0,0]=4 74 B8R0.15 CCCC(CN)N(C)C BB12-3578 [0,2,0,0,0,0|2,0,0]=4 75 B8R0.20 CCC(CN)N(C)CC BB12-3576 [0,2,0,0,0,0|2,0,0]=4 76 B6R1.2 OC1CNOC1 BB12-1709 [1,0,0,1,0,0|2,0,0]=4 77 B6R1.2 O[C@@H]1CCNC1 BB12-3487 [1,0,0,1,0,0|2,0,0]=4 78 B6R1.6 NCC1CCC1 BB12-1679 [1,0,0,1,0,0|1,0,0]=3 79 B8R1.1 CN1CCC(CBr)C1 BB12-3105 [0,1,0,1,0,0|2,0,0]=4 80 B8R1.1 CN1CCC(CCl)C1 BB12-1681 [0,1,0,1,0,0|2,0,0]=4 81 B8R1.1 CN1CCC(CN)C1 BB56-2350 [0,1,0,1,0,0|2,0,0]=4 82 B8R1.4 CC1CNCC(C)N1 BB20-4583 [0,1,0,1,0,0|2,0,0]=4 83 B8R1.2 CNC1CCCCC1 BB53-1677 [0,1,0,1,0,0|1,0,0]=3 84 B8R1.2 CNC1CCOCC1 BB53-1688 [0,1,0,1,0,0|0,0,0]=2 85 B8R1.2 CNC1CCSCC1 BB53-1643 [0,1,0,1,0,0|0,1,0]=3 86 B8R1.2 COC1CCCNC1 BB12-3161 [0,1,0,1,0,0|2,0,0]=4 87 B8R1.2 COC1CCNCC1 BB12-3162 [0,1,0,1,0,0|1,0,0]=3 88 B8R1.2 NCC1COCCO1 BB01-4608 [0,1,0,1,0,0|1,0,0]=3 89 B8R1.2 OCC1CCCCC1 BB20-4574 [0,1,0,1,0,0|1,0,0]=3 90 B8R1.2 OCC1CCCCN1 BB56-1322 [0,1,0,1,0,0|2,0,0]=4 91 B8R1.2 OCC1CCCOC1 BB12-1755 [0,1,0,1,0,0|1,0,0]=3 92 B8R1.2 [C-]#[N+]C1CCCCC1 BB56-1202 [0,1,0,1,0,0|1,0,1]=4 93 B8R1.5 O=C1CCOCC1O BB17-2979 [0,1,0,1,0,0|1,0,1]=4 94 B8R1.22 CC1CCCCCN1 BB12-3099 [0,1,0,1,0,0|1,0,0]=3 95 B8R1.22 CC1CCCNCC1 BB12-1445 [0,1,0,1,0,0|1,0,0]=3 96 B8R1.22 O=C1CCOCCN1 BB20-4217 [0,1,0,1,0,0|1,0,1]=4 97 B8R1.52 CC1(C#N)CCCO1 BB12-2060 [0,1,0,1,0,0|1,0,1]=4 98 B8R1.52 NC1(CO)CCCC1 BB56-2049 [0,1,0,1,0,0|2,0,0]=4 99 B8R1.7 CC(C)C1CCCN1 BB56-0522 [0,1,0,1,0,0|2,0,0]=4 100 B8R1.19 ClC1OCCC1(Cl)Cl BB12-2275 [0,1,0,1,0,0|2,0,0]=4 101 B8R1.8 CCCC1CCCN1 BB56-1742 [0,1,0,1,0,0|1,0,0]=3 102 B8R1.8 CCOC1CCNC1 BB12-1138 [0,1,0,1,0,0|1,0,0]=3 103 B8R1.8 CNCC1CCCC1 BB12-1620 [0,1,0,1,0,0|1,0,0]=3 104 B8R1.8 COCC1CCCN1 BB56-0037 [0,1,0,1,0,0|2,0,0]=4 105 B8R1.8 CSCC1CCCN1 BB56-0633 [0,1,0,1,0,0|2,0,0]=4 106 B8R1.8 NCCC1CCCC1 BB12-2130 [0,1,0,1,0,0|1,0,0]=3 107 B8R1.8 NCCC1CCCN1 BB20-3166 [0,1,0,1,0,0|1,0,0]=3 108 B8R1.11 CCC1CCCC1=O BB12-2911 [0,1,0,1,0,0|1,0,1]=4 109 B8R1.11 CN1CCCC1CBr BB12-3093 [0,1,0,1,0,0|2,0,0]=4 110 B8R1.11 CN1CCCC1CO BB12-1660 [0,1,0,1,0,0|1,0,0]=3 111 B8R1.28 CCC(C)(O)C1CC1 BB12-2976 [0,1,0,1,0,0|1,0,0]=3 112 B8R1.72 CC1(C)CCCNC1 BB12-1606 [0,1,0,1,0,0|2,0,0]=4