0 B5R0.2 CCSCCN BB53-1545 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.2 CSCCC#N BB12-3714 [0,0,0,0,0,0|1,0,1]=2 2 B5R0.2 O=CNNC=O BB12-1708 [0,0,0,0,0,0|4,0,0]=4 3 B5R0.2 [C-]#[N+]CCCC BB56-0718 [0,0,0,0,0,0|3,0,0]=3 4 B5R0.2 [C-]#[N+]CCOC BB56-1837 [0,0,0,0,0,0|2,1,0]=3 5 B4R0.2 CSCCCl BB53-1396 [1,0,0,0,0,0|1,0,0]=2 6 B4R0.2 CSCCN BB12-0970 [1,0,0,0,0,0|1,0,0]=2 7 B6R0.1 CC[C@H](N)COC BB20-3253 [0,1,0,0,0,0|1,1,1]=4 8 B6R0.1 CNC(C)CCO BB12-1373 [0,1,0,0,0,0|1,0,2]=4 9 B6R0.1 CSC\C(N)=N\O BB12-3469 [0,1,0,0,0,0|1,0,2]=4 10 B6R0.4 C=CCNC(C)C BB12-1319 [0,1,0,0,0,0|3,0,0]=4 11 B6R0.4 CC(C)CN=C=O BB01-8145 [0,1,0,0,0,0|2,0,1]=4 12 B6R0.4 CCSCC(=O)O BB12-3264 [0,1,0,0,0,0|2,0,0]=3 13 B6R0.4 CNCCC(=O)O BB12-1452 [0,1,0,0,0,0|1,0,0]=2 14 B6R0.4 COCCC(=O)Cl BB20-1617 [0,1,0,0,0,0|0,1,0]=2 15 B6R0.4 CSCCC(=N)N BB12-3715 [0,1,0,0,0,0|1,0,0]=2 16 B6R0.4 [C-]#[N+]CCN(C)C BB56-1617 [0,1,0,0,0,0|3,0,0]=4 17 B6R0.6 C=CCCCC#N BB12-2224 [0,1,0,0,0,0|2,0,1]=4 18 B6R0.6 CCCSCCN BB53-1582 [0,1,0,0,0,0|2,0,1]=4 19 B6R0.6 CCSCCNC BB12-0971 [0,1,0,0,0,0|2,0,0]=3 20 B6R0.6 COCCN=C=S BB53-1315 [0,1,0,0,0,0|0,2,1]=4 21 B6R0.6 [C-]#[N+]CCCOC BB56-1464 [0,1,0,0,0,0|1,1,1]=4 22 B6R1.1 C1=CCONC1 BB12-1719 [0,0,0,1,0,0|2,1,0]=4 23 B6R1.2 O[C@@H]1CCNC1 BB12-3487 [0,0,0,1,0,0|1,0,2]=4 24 B6R1.6 NCC1CCC1 BB12-1679 [0,0,0,1,0,0|2,0,1]=4 25 B3R0.1 NNC=O BB12-2770 [2,0,0,0,0,0|2,0,0]=4 26 B3R0.1 [C-]#[N+]CC BB56-1802 [2,0,0,0,0,0|1,0,1]=4 27 B5R0.1 CCOC(C)=N BB12-3674 [1,1,0,0,0,0|2,0,0]=4 28 B5R0.1 CNCC(C)=O BB12-3010 [1,1,0,0,0,0|1,0,0]=3 29 B5R0.1 CNCC(C)O BB12-1288 [1,1,0,0,0,0|1,0,1]=4 30 B5R0.3 CCC(C)NC BB53-1672 [1,1,0,0,0,0|1,0,1]=4 31 B5R0.3 CNC(C)CO BB12-1570 [1,1,0,0,0,0|1,0,1]=4 32 B5R0.3 [C-]#[N+]C(C)CC BB56-1204 [1,1,0,0,0,0|2,0,0]=4 33 B7R0.2 CCN(C)CC(=O)O BB12-1321 [0,2,0,0,0,0|2,0,0]=4 34 B7R0.2 CCN(C)CC(C)=O BB12-2316 [0,2,0,0,0,0|2,0,0]=4 35 B7R0.2 CNC(C)CC(=O)O BB12-1285 [0,2,0,0,0,0|1,0,0]=3 36 B7R0.3 CCCCC(=O)NN BB12-2550 [0,2,0,0,0,0|1,0,0]=3 37 B7R0.3 CNCCC(=O)NC BB12-1428 [0,2,0,0,0,0|1,0,0]=3 38 B7R0.3 COCCC(=O)NN BB20-4502 [0,2,0,0,0,0|0,1,0]=3 39 B7R0.3 COCC\C(N)=N\O BB12-3470 [0,2,0,0,0,0|0,1,1]=4 40 B7R0.3 CSCCC(N)CO BB56-2047 [0,2,0,0,0,0|0,0,2]=4 41 B7R0.5 CCSC(C)C(=O)O BB12-3261 [0,2,0,0,0,0|2,0,0]=4 42 B7R0.5 CNCC(C)C(=O)O BB12-1637 [0,2,0,0,0,0|1,0,0]=3 43 B7R0.4 C=CCSCC(=O)O BB12-3265 [0,2,0,0,0,0|1,0,1]=4 44 B7R0.4 CC(=O)NCCCO BB12-3384 [0,2,0,0,0,0|2,0,0]=4 45 B7R0.4 CCCSCC(=O)O BB12-3263 [0,2,0,0,0,0|1,0,0]=3 46 B7R0.4 CCSCCC(=O)O BB12-3270 [0,2,0,0,0,0|0,0,0]=2 47 B7R0.4 NC(=O)CSCCO BB53-1357 [0,2,0,0,0,0|2,0,0]=4 48 B7R0.6 C=C(C)COC(C)=O BB12-2984 [0,2,0,0,0,0|2,0,0]=4 49 B7R0.6 CC(=O)OCC(=O)Cl BB12-3445 [0,2,0,0,0,0|2,0,0]=4 50 B7R0.6 CC(C)SCC(=O)O BB12-3365 [0,2,0,0,0,0|2,0,0]=4 51 B5R1.2 O=C1CNC1 BB20-3400 [1,0,0,1,0,0|1,0,0]=3 52 B7R1.2 O=C1C=C(O)CC1 BB12-0743 [0,1,0,1,0,0|1,0,1]=4 53 B7R1.3 OC1CCSCC1 BB53-1540 [0,1,0,1,0,0|0,0,2]=4 54 B7R1.4 NC1CCNC1=O BB12-2184 [0,1,0,1,0,0|2,0,0]=4 55 B7R1.18 NC(=O)C1CCC1 BB12-3033 [0,1,0,1,0,0|1,0,0]=3