0 B9R0.53 CC(=O)CC(=O)CC(C)C OR12800 [0,0,0,0,0,0|1,0,1]=2 1 B9R0.53 CC(C)CC(C)CC(C)C OR2379 [0,0,0,0,0,0|1,0,1]=2 2 B8R0.5 CC(C)OC(=O)CC#N OR28722 [1,0,0,0,0,0|2,0,1]=4 3 B8R0.5 CCOC(=O)C=C(C)C OR54610 [1,0,0,0,0,0|1,0,2]=4 4 B8R0.5 CCOC(=O)C[C@H](C)O OR304080 [1,0,0,0,0,0|2,0,0]=3 5 B8R0.5 CCOC(=O)C[S+](C)C OR5509 [1,0,0,0,0,0|2,0,0]=3 6 B8R0.28 CC(C)N=C=NC(C)C OR18304 [1,0,0,0,0,0|2,0,1]=4 7 B8R0.28 CN(C)CCCN(C)C OR18301 [1,0,0,0,0,0|2,0,1]=4 8 B10R1.329 CC1(C)CC(=O)CC(=O)C1 OR7890 [0,0,0,1,0,0|1,0,1]=3 9 B10R1.329 CC1(C)CC(=O)NC(=O)C1 OR30387 [0,0,0,1,0,0|2,0,1]=4 10 B10R1.329 CC1(C)CC(=O)OC(=O)C1 OR315223 [0,0,0,1,0,0|2,0,1]=4 11 B8R0.23 CC(C)OC(=O)[C@@H](C)N OR52564 [0,0,0,0,1,0|2,0,0]=3 12 B8R0.23 CC(C)OC(=O)[C@H](C)N OR61429 [0,0,0,0,1,0|2,0,0]=3 13 B7R0.2 CC(C)NC(=O)CCl OR25475 [2,0,0,0,0,0|2,0,0]=4 14 B7R0.2 CC(C)NC(=O)CN OR8216 [2,0,0,0,0,0|2,0,0]=4 15 B7R0.2 CC(C)OC(=O)CBr OR55079 [2,0,0,0,0,0|2,0,0]=4 16 B7R0.2 CCC(C)CC(C)C OR52416 [2,0,0,0,0,0|1,0,1]=4 17 B7R0.2 COC(=O)C[C@@H](C)N OR913686 [2,0,0,0,0,0|2,0,0]=4 18 B7R0.2 COC(=O)C[C@@H](C)O OR28835 [2,0,0,0,0,0|2,0,0]=4 19 B7R0.4 CCCCCC(C)N OR10072 [2,0,0,0,0,0|1,0,1]=4 20 B7R0.7 CCCC(=O)OCCl OR16070 [2,0,0,0,0,0|2,0,0]=4 21 B7R0.7 CCCC(N)CCC OR6158 [2,0,0,0,0,0|1,0,1]=4 22 B7R0.7 CCNC(=O)CNC OR12098 [2,0,0,0,0,0|2,0,0]=4 23 B7R0.7 CCNC(=O)NCC OR323264 [2,0,0,0,0,0|2,0,0]=4 24 B7R0.7 CCOC(=O)CCCl OR54512 [2,0,0,0,0,0|2,0,0]=4 25 B7R0.7 CCOC(=O)CCN OR26826 [2,0,0,0,0,0|2,0,0]=4 26 B7R0.7 CCOC(=O)COC OR30271 [2,0,0,0,0,0|2,0,0]=4 27 B7R0.7 O=C(CCCl)CCCl OR53098 [2,0,0,0,0,0|2,0,0]=4 28 B9R0.4 CCCCC(C)CC(C)C OR54625 [1,1,0,0,0,0|1,0,1]=4 29 B9R0.6 CCOC(=O)C(C)C(C)C OR26319 [1,1,0,0,0,0|1,0,0]=3 30 B9R0.6 CCOC(=O)[C@@H](N)C(C)C OR26830 [1,1,0,0,0,0|1,0,0]=3 31 B9R0.44 CC(C)(C)OC(=O)CCN OR51868 [1,1,0,0,0,0|2,0,0]=4 32 B9R0.44 CC(C)(C)OC(=O)CCN OR54450 [1,1,0,0,0,0|2,0,0]=4 33 B9R0.10 CC(C)OC(=O)C(C)(C)Br OR28936 [0,1,0,0,1,0|1,0,0]=3 34 B9R0.42 COC(=O)CC(=O)C(C)C OR322091 [0,1,0,0,1,0|1,0,1]=4 35 B9R0.57 CC(N)C(=O)OC(C)(C)C OR59980 [0,1,0,0,1,0|2,0,0]=4 36 B11R0.34 C[C@@H](O)CNC(=O)OC(C)(C)C OR307131 [0,1,0,0,0,1|2,0,0]=4 37 B11R0.119 CC(CO)NC(=O)OC(C)(C)C OR4313 [0,2,0,0,0,0|2,0,0]=4 38 B11R0.119 C[C@@H](CO)NC(=O)OC(C)(C)C OR61273 [0,2,0,0,0,0|2,0,0]=4 39 B11R0.119 C[C@H](CO)NC(=O)OC(C)(C)C OR54336 [0,2,0,0,0,0|2,0,0]=4 40 B11R0.359 CC(C)(C)NC(=O)NC(C)(C)C OR24625 [0,2,0,0,0,0|2,0,0]=4 41 B9R1.13 CC(C)CC1CCCN1 OR12520 [1,0,0,1,0,0|1,0,1]=4 42 B9R1.34 CC1CC(=O)CC(=O)C1 OR7172 [1,0,0,1,0,0|1,0,1]=4 43 B9R1.34 CC1CC(=O)CC(C)O1 OR9085 [1,0,0,1,0,0|1,0,0]=3 44 B9R1.66 CC1(C)CC(=O)CCO1 OR480217 [1,0,0,1,0,0|1,0,0]=3 45 B9R1.66 CC1(C)CCCC(=O)C1 OR315523 [1,0,0,1,0,0|0,0,0]=2 46 B9R1.183 CCOC(=O)C1CC1C OR28709 [1,0,0,1,0,0|1,0,0]=3 47 B11R1.74 CC(C)C1CC(=O)CC(=O)C1 OR6869 [0,0,0,1,0,1|1,0,1]=4 48 B11R1.166 CC1=CC(=O)[C@H](C(C)C)CC1 OR200126 [0,1,0,1,0,0|0,0,2]=4 49 B11R1.1127 CC(C)(C)OC(=O)NC1CC1 OR11731 [0,1,0,1,0,0|2,0,0]=4 50 B11R1.1362 CC1(C)CC(=O)CC(C)(C)C1 OR18872 [0,1,0,1,0,0|0,0,0]=2 51 B11R1.1362 CC1(C)CC(=O)CC(C)(C)N1 OR2207 [0,1,0,1,0,0|0,0,0]=2 52 B11R1.1362 CC1(C)CC(=O)CC(C)(C)N1 OR6946 [0,1,0,1,0,0|0,0,0]=2 53 B11R1.1362 CC1(C)CC(=O)CC(C)(C)O1 OR52276 [0,1,0,1,0,0|0,0,0]=2 54 B11R1.1362 CC1(C)CC(Cl)CC(C)(C)N1 OR26311 [0,1,0,1,0,0|1,0,1]=4 55 B11R1.1362 CC1(C)CC(N)CC(C)(C)N1 OR6937 [0,1,0,1,0,0|1,0,1]=4 56 B11R1.1362 CC1(C)CC(O)CC(C)(C)N1 OR6938 [0,1,0,1,0,0|0,0,2]=4 57 B7R0.5 CC(C)C(=O)CC#N OR61296 [1,0,0,0,1,0|1,0,1]=4 58 B7R0.5 CCOC(=O)C(C)Br OR2205 [1,0,0,0,1,0|2,0,0]=4 59 B7R0.5 CCOC(=O)[C@H](C)O OR5301 [1,0,0,0,1,0|2,0,0]=4 60 B7R0.6 CN(C)CCN(C)C OR7140 [1,0,0,0,1,0|2,0,0]=4 61 B7R0.6 C[C@@H](O)CC[C@@H](C)O OR46574 [1,0,0,0,1,0|2,0,0]=4 62 B7R0.6 C[C@H](O)CC[C@H](C)O OR20022 [1,0,0,0,1,0|2,0,0]=4 63 B7R0.16 CC(C)C(=O)C(C)C OR42127 [0,0,0,0,2,0|0,0,0]=2