0 B8R1.18 CC1=C(C)OC(=O)O1 SBB017270 [0,0,0,0,0,0|2,0,2]=4 1 B8R1.18 CC1=C(C)SC(Br)=N1 SBB110187 [0,0,0,0,0,0|1,1,2]=4 2 B8R1.18 CC1=C(C)SC(N)=N1 SBB003911 [0,0,0,0,0,0|1,1,2]=4 3 B8R1.18 CC1=C(C)SC(N)=N1 SBB028421 [0,0,0,0,0,0|1,1,2]=4 4 B8R1.18 CC1=C(C)SC(N)=N1 SBB037835 [0,0,0,0,0,0|1,1,2]=4 5 B8R1.18 CC1=C(C)SC(S)=N1 SBB059522 [0,0,0,0,0,0|1,1,2]=4 6 B8R1.18 CC1=CC(=O)C(C)O1 SBB055769 [0,0,0,0,0,0|2,0,1]=3 7 B8R1.18 CC1=CC(C)=NN1C SBB055828 [0,0,0,0,0,0|2,0,2]=4 8 B8R1.18 CC1=CN(C)N=C1N SBB027022 [0,0,0,0,0,0|3,0,1]=4 9 B8R1.18 CC1=NC(C)=C(Br)S1 SBB054427 [0,0,0,0,0,0|1,1,2]=4 10 B8R1.18 CC1=NC(N)=NN1C SBB301929 [0,0,0,0,0,0|3,0,1]=4 11 B8R1.18 CC1=NN(C)C=C1Br SBB005613 [0,0,0,0,0,0|3,0,1]=4 12 B8R1.18 CC1=NN(C)C=C1Cl SBB046655 [0,0,0,0,0,0|3,0,1]=4 13 B8R1.18 CC1=NN(C)C=C1I SBB051457 [0,0,0,0,0,0|3,0,1]=4 14 B8R1.18 CC1=NN(C)C=C1N SBB009353 [0,0,0,0,0,0|3,0,1]=4 15 B7R1.2 CC1=CC(C)=NO1 SBB042637 [1,0,0,0,0,0|2,0,1]=4 16 B7R1.2 CC1=CN(C)C=N1 SBB073385 [1,0,0,0,0,0|2,0,1]=4 17 B7R1.2 CC1=CN(C)N=C1 SBB073292 [1,0,0,0,0,0|2,0,1]=4 18 B7R1.2 CC1=COC(N)=N1 SBB051930 [1,0,0,0,0,0|1,0,2]=4 19 B7R1.2 CC1=NN(C)C=C1 SBB015024 [1,0,0,0,0,0|2,0,1]=4 20 B7R1.2 CC1=NNC(C)=N1 SBB108831 [1,0,0,0,0,0|2,0,1]=4 21 B7R1.2 N1C=C(C)N=C1C SBB004378 [1,0,0,0,0,0|1,0,2]=4 22 B7R1.4 CC1=NC=CN1C SBB040829 [1,0,0,0,0,0|2,0,1]=4 23 B9R1.22 CC1=NC(C)=C(CO)S1 SBB054806 [0,1,0,0,0,0|0,1,2]=4 24 B9R1.22 CC1=NC(CO)=C(C)O1 SBB085678 [0,1,0,0,0,0|0,0,2]=3 25 B9R1.22 CC1=NN(C)C=C1CN SBB004263 [0,1,0,0,0,0|2,0,1]=4 26 B9R1.22 CC1=NN(C)C=C1CO SBB019670 [0,1,0,0,0,0|2,0,1]=4 27 B9R1.37 CC1=C(O)C(=O)C(C)O1 SBB058632 [0,1,0,0,0,0|2,0,1]=4 28 B7R0.2 CCC(=O)OC(C)C SBB061101 [0,0,1,0,0,0|3,0,0]=4 29 B7R0.2 CC\C(C)=C\C(C)C SBB060471 [0,0,1,0,0,0|2,0,0]=3 30 B7R0.5 C=C(C)C(=O)OCC SBB061402 [0,0,1,0,0,0|2,0,1]=4 31 B7R0.5 CCCC(C)C(=O)O SBB065915 [0,0,1,0,0,0|3,0,0]=4 32 B7R0.5 CCCC(C)C(C)O SBB061491 [0,0,1,0,0,0|1,0,1]=3 33 B7R0.5 CCOC(=O)C(C)Br SBB058608 [0,0,1,0,0,0|3,0,0]=4 34 B7R0.5 CCOC(=O)C(C)C SBB060711 [0,0,1,0,0,0|3,0,0]=4 35 B7R0.5 CCOC(=O)C(C)N SBB004040 [0,0,1,0,0,0|3,0,0]=4 36 B7R0.5 CC\C=C(/C)C(=O)O SBB069108 [0,0,1,0,0,0|2,0,1]=4 37 B7R0.7 CCOC(C)OCC SBB058503 [0,0,1,0,0,0|1,0,1]=3 38 B7R0.7 C\C=C\C(=O)OCC SBB061219 [0,0,1,0,0,0|2,0,1]=4 39 B9R2.39 O=C1CC2CCC1C2 SBB072159 [0,0,0,1,0,0|3,0,0]=4 40 B9R1.34 CC1=CC(C)=NC(C)=C1 SBB060376 [0,0,0,0,0,1|1,0,2]=4 41 B9R1.34 CC1CC(=O)CC(C)O1 SBB056218 [0,0,0,0,0,1|2,0,0]=3 42 B9R1.34 CC1CC(C)CC(C)C1 SBB061287 [0,0,0,0,0,1|2,0,1]=4 43 B9R1.34 CC1NC(C)NC(C)N1 SBB071507 [0,0,0,0,0,1|1,0,2]=4 44 B9R1.69 CC1=NC(C)=C(C)C=C1 SBB061698 [0,0,0,0,0,1|1,0,2]=4 45 B6R0.1 CCC(C)N=C=S SBB021425 [1,0,1,0,0,0|1,0,1]=4 46 B6R0.1 CCCC(=O)CC SBB061496 [1,0,1,0,0,0|2,0,0]=4 47 B6R0.1 CCCC(C)CO SBB061282 [1,0,1,0,0,0|1,0,1]=4 48 B6R0.1 CCNC(C)CO SBB046531 [1,0,1,0,0,0|0,0,2]=4 49 B6R0.1 CCOC(=O)CC SBB060312 [1,0,1,0,0,0|2,0,0]=4 50 B6R0.1 CNCC(C)OC SBB049894 [1,0,1,0,0,0|2,0,0]=4 51 B6R0.2 CC(C)CC(C)Br SBB007950 [1,0,1,0,0,0|2,0,0]=4 52 B6R0.2 CC(C)CC(C)O SBB061337 [1,0,1,0,0,0|1,0,1]=4 53 B6R0.2 CC(C)NC(C)C SBB059763 [1,0,1,0,0,0|2,0,0]=4 54 B6R0.2 CC(O)CN(C)C SBB060002 [1,0,1,0,0,0|2,0,0]=4 55 B6R0.4 CCC#CC(C)O SBB067141 [1,0,1,0,0,0|1,0,1]=4 56 B6R0.4 CCCCC(C)=O SBB061262 [1,0,1,0,0,0|2,0,0]=4 57 B6R0.4 CCCCC(C)O SBB061290 [1,0,1,0,0,0|1,0,1]=4 58 B6R0.4 CCOCC(=O)O SBB069120 [1,0,1,0,0,0|2,0,0]=4 59 B6R0.4 CCOCC(C)O SBB061006 [1,0,1,0,0,0|1,0,1]=4 60 B6R0.3 CCC(C)C(C)C SBB061452 [1,0,1,0,0,0|1,0,1]=4 61 B6R0.3 CCN(C)C(=N)N SBB056493 [1,0,1,0,0,0|2,0,0]=4 62 B6R1.2 CC1=NCCN1 SBB040067 [2,0,0,0,0,0|2,0,0]=4 63 B8R0.16 CCN(CC)CC(C)O SBB060003 [0,1,1,0,0,0|2,0,0]=4 64 B8R0.23 CC(C)OC(C)C(=O)[O-] SBB080489 [0,1,1,0,0,0|2,0,0]=4 65 B8R0.3 CCOC(C)C(=O)NN SBB080048 [0,1,1,0,0,0|1,0,1]=4 66 B8R0.8 CC(O)C(=O)NCCO SBB008212 [0,1,1,0,0,0|1,0,1]=4 67 B8R0.15 CCOC(CC)C(N)=O SBB116764 [0,1,1,0,0,0|1,0,1]=4 68 B8R0.22 CCOC(CBr)OCC SBB060139 [0,1,1,0,0,0|1,0,1]=4 69 B8R0.22 CCOC(CCl)OCC SBB060140 [0,1,1,0,0,0|1,0,1]=4 70 B8R0.22 CCOC(CO)OCC SBB056478 [0,1,1,0,0,0|1,0,1]=4 71 B8R0.22 NCC(OCC)OCC SBB004213 [0,1,1,0,0,0|1,0,1]=4 72 B8R1.1 CC1=NC(CCl)=NO1 SBB014359 [1,1,0,0,0,0|1,0,1]=4 73 B8R1.1 CC1=NC(CN)=NO1 SBB018524 [1,1,0,0,0,0|1,0,1]=4 74 B8R1.1 CC1=NC(CO)=NO1 SBB018815 [1,1,0,0,0,0|1,0,1]=4 75 B8R1.1 CC1=NOC(CCl)=N1 SBB014390 [1,1,0,0,0,0|1,0,1]=4 76 B8R1.1 CC1=NOC(CN)C1 SBB027036 [1,1,0,0,0,0|2,0,0]=4 77 B10R1.329 CC1=NC(C)(C)CC(C)O1 SBB116853 [0,1,0,0,0,1|1,0,0]=3 78 B10R1.118 CC1OC(=O)C(C)OC1=O SBB007949 [0,1,0,0,0,1|2,0,0]=4 79 B10R1.118 CC1OC(=O)C(C)OC1=O SBB008348 [0,1,0,0,0,1|2,0,0]=4 80 B8R1.4 CC1CCCC(O)C1 SBB061310 [0,0,1,1,0,0|1,0,1]=4 81 B8R1.5 CC1=NCCCN1C SBB001664 [0,0,1,1,0,0|2,0,0]=4 82 B8R1.5 CC1CCCCC1=O SBB058517 [0,0,1,1,0,0|2,0,0]=4 83 B8R1.7 CC(N)C1CCCO1 SBB020137 [0,0,1,1,0,0|0,0,2]=4 84 B8R1.7 N=C(N)C1CCCC1 SBB056275 [0,0,1,1,0,0|2,0,0]=4 85 B8R1.7 O=C(O)C1CCCO1 SBB004298 [0,0,1,1,0,0|2,0,0]=4 86 B8R0.9 COC(C)OCC(C)C SBB059866 [0,0,1,0,0,1|2,0,0]=4