0 B7R0.6 CC(C)CCC(C)N SBB008544 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.6 CC(C)CCC(C)O SBB061318 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.6 CC(C)CNC(C)C SBB046539 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.6 CC(O)C#CC(C)O SBB067653 [0,0,0,0,0,0|4,0,0]=4 4 B7R0.6 CC(O)COC(C)C SBB061008 [0,0,0,0,0,0|2,1,0]=3 5 B7R0.6 CN(C)CCN(C)C SBB060239 [0,0,0,0,0,0|4,0,0]=4 6 B6R0.4 CC(C)NCCN SBB048119 [1,0,0,0,0,0|3,0,0]=4 7 B6R0.4 CC(C)NCCO SBB056428 [1,0,0,0,0,0|3,0,0]=4 8 B6R0.4 CC(C)OCCN SBB301616 [1,0,0,0,0,0|2,1,0]=4 9 B6R0.4 CCC#CC(C)O SBB067141 [1,0,0,0,0,0|3,0,0]=4 10 B6R0.4 CCCCC(C)O SBB061290 [1,0,0,0,0,0|3,0,0]=4 11 B6R0.4 CCCCN(C)C SBB060243 [1,0,0,0,0,0|3,0,0]=4 12 B6R0.4 CCOCC(C)O SBB061006 [1,0,0,0,0,0|2,1,0]=4 13 B8R0.9 CC(C)OCC(O)CN SBB010264 [0,1,0,0,0,0|2,1,0]=4 14 B8R0.9 COC(C)OCC(C)C SBB059866 [0,1,0,0,0,0|1,1,0]=3 15 B8R0.23 CC(C)CC(O)C(C)C SBB116858 [0,1,0,0,0,0|2,0,0]=3 16 B8R0.23 CC(C)OC(=O)[C@@H](C)N SBB070143 [0,1,0,0,0,0|2,1,0]=4 17 B8R0.29 CC(C)CCC(C)(C)O SBB072704 [0,1,0,0,0,0|2,0,0]=3 18 B8R1.3 CC1CCC(C)CC1 SBB061451 [0,0,0,1,0,0|2,0,0]=3 19 B8R1.3 CC1CCC(O)CC1 SBB060479 [0,0,0,1,0,0|3,0,0]=4 20 B8R1.3 C[C@H]1CC[C@H](N)CC1 SBB069772 [0,0,0,1,0,0|3,0,0]=4 21 B8R1.3 N1CC(C)NCC1C SBB004303 [0,0,0,1,0,0|3,0,0]=4 22 B8R1.35 CC(C)NCC1CC1 SBB080386 [0,0,0,1,0,0|2,0,0]=3 23 B6R0.2 CC(=O)CC(C)C SBB060384 [0,0,0,0,1,0|2,0,1]=4 24 B6R0.2 CC(C)CC(C)Br SBB007950 [0,0,0,0,1,0|2,0,0]=3 25 B6R0.2 CC(C)CC(C)O SBB061337 [0,0,0,0,1,0|2,0,0]=3 26 B6R0.2 CC(C)NC(C)C SBB059763 [0,0,0,0,1,0|1,0,0]=2 27 B6R0.2 CC(O)CN(C)C SBB060002 [0,0,0,0,1,0|3,0,0]=4 28 B8R0.28 CC(C)CNCC(C)C SBB058770 [0,0,0,0,0,1|2,0,0]=3 29 B8R0.28 CC(C)COCC(C)C SBB061320 [0,0,0,0,0,1|1,1,0]=3 30 B8R0.28 CC(C)COCC(C)O SBB061009 [0,0,0,0,0,1|2,1,0]=4 31 B8R0.28 CC(C)CSCC(C)C SBB061180 [0,0,0,0,0,1|1,0,0]=2 32 B8R0.28 CC(C)N=C=NC(C)C SBB056444 [0,0,0,0,0,1|2,0,0]=3 33 B5R0.1 CC(C)CCBr SBB061181 [2,0,0,0,0,0|2,0,0]=4 34 B5R0.1 CC(C)CCO SBB060162 [2,0,0,0,0,0|2,0,0]=4 35 B5R0.1 CC(C)SC#N SBB060088 [2,0,0,0,0,0|1,0,1]=4 36 B5R0.2 CCNNCC SBB069584 [2,0,0,0,0,0|2,0,0]=4 37 B5R0.2 CCSCCN SBB017894 [2,0,0,0,0,0|2,0,0]=4 38 B7R0.2 CCC(=O)OC(C)C SBB061101 [1,1,0,0,0,0|1,1,0]=4 39 B7R0.2 CC\C(C)=C\C(C)C SBB060471 [1,1,0,0,0,0|2,0,0]=4 40 B7R0.4 CC(C)CCCCBr SBB008833 [1,1,0,0,0,0|2,0,0]=4 41 B7R0.4 CC(C)OCCCN SBB061717 [1,1,0,0,0,0|1,1,0]=4 42 B7R0.4 COCCNC(C)C SBB302570 [1,1,0,0,0,0|2,0,0]=4 43 B7R0.5 CCOC(=O)C(C)C SBB060711 [1,1,0,0,0,0|1,1,0]=4 44 B7R0.8 CCNCC(C)(C)C SBB080378 [1,1,0,0,0,0|2,0,0]=4 45 B7R0.9 CC(C)=CC(C)(C)C SBB060469 [0,1,0,0,1,0|1,0,1]=4 46 B7R0.9 CC(O)CC(C)(C)N SBB084391 [0,1,0,0,1,0|2,0,0]=4 47 B7R0.9 CC(O)CC(C)(C)O SBB061336 [0,1,0,0,1,0|2,0,0]=4 48 B7R0.9 N(C(C)C)C(C)(C)C SBB006672 [0,1,0,0,1,0|1,0,0]=3 49 B9R0.7 CC(C)COC(=O)C(C)C SBB061112 [0,1,0,0,0,1|1,1,0]=4 50 B9R0.53 CC(C)CC(O)CC(C)C SBB060165 [0,1,0,0,0,1|2,0,0]=4 51 B9R0.48 CCOC(C)OCC(C)C SBB059867 [0,2,0,0,0,0|1,1,0]=4 52 B9R0.77 CC(C)(O)C#CC(C)(C)O SBB002115 [0,2,0,0,0,0|2,0,0]=4 53 B7R1.3 CC1CCCCC1 SBB061163 [1,0,0,1,0,0|2,0,0]=4 54 B7R1.3 CC1SCCCS1 SBB056211 [1,0,0,1,0,0|2,0,0]=4 55 B7R1.3 N1CCCC(C)C1 SBB027301 [1,0,0,1,0,0|2,0,0]=4 56 B7R1.3 N1CCCCC1C SBB027300 [1,0,0,1,0,0|2,0,0]=4 57 B9R1.1 CCC1CCC(C)NC1 SBB085696 [0,1,0,1,0,0|2,0,0]=4 58 B9R0.55 CC(C)CSSCC(C)C SBB060845 [0,0,0,0,0,2|0,0,0]=2