0 B7R0.11 C=CC(C)(C)CCC T70796 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.11 C=CCC(C)(C)CN 68263 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.11 C=CCC(C)(C)CO 68262 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.11 CC(C)(C#N)CCO AT22036 [0,0,0,0,0,0|4,0,0]=4 4 B7R0.11 CC(C)(CCl)CC#N H11136 [0,0,0,0,0,0|4,0,0]=4 5 B7R0.11 CC(C)(CCl)CCCl F11287 [0,0,0,0,0,0|4,0,0]=4 6 B7R0.11 CC(C)(CN)CCO AT20760 [0,0,0,0,0,0|4,0,0]=4 7 B7R0.11 CC(C)(CO)CC#N H11137 [0,0,0,0,0,0|4,0,0]=4 8 B7R0.11 CCCC(C)(C)CC T71064 [0,0,0,0,0,0|2,0,1]=3 9 B7R0.11 CCOC(C)(C)CC D78478 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.11 COCC(C)(C)C=O D84794 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.1 [2H]OC[C@H](C)O[2H] D98238 [1,0,0,0,0,0|3,0,0]=4 12 B6R0.5 C=CCC(C)(C)N 68260 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.5 CC(C)(C)C#CI AT14291 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.5 CC(C)(C)CON AT14507 [1,0,0,0,0,0|2,0,0]=3 15 B6R0.5 CC(C)(I)CCO AC4846 [1,0,0,0,0,0|3,0,0]=4 16 B6R0.5 CCCC(C)(C)C D87693 [1,0,0,0,0,0|1,0,1]=3 17 B6R0.5 CNCC(C)(C)F F53133 [1,0,0,0,0,0|1,0,2]=4 18 B6R0.5 C[N+](C)(C)CCO AC6994 [1,0,0,0,0,0|3,0,0]=4 19 B6R0.8 C=CC(C)(C)CO C77629 [1,0,0,0,0,0|2,0,1]=4 20 B6R0.8 CC(C)(CO)ON AT14544 [1,0,0,0,0,0|2,0,0]=3 21 B6R0.8 CCC(C)(Br)CC F20158 [1,0,0,0,0,0|2,0,1]=4 22 B6R0.8 CC[C@](C)(N)CO D75057 [1,0,0,0,0,0|3,0,0]=4 23 B6R0.8 CC[C@](C)(O)CO D78587 [1,0,0,0,0,0|3,0,0]=4 24 B6R0.8 CNC(C)(C)C#N F13452 [1,0,0,0,0,0|1,0,2]=4 25 B6R0.8 COC(C)(C)C#N AT24380 [1,0,0,0,0,0|0,0,2]=3 26 B6R0.8 COC(C)(C)CN D87550 [1,0,0,0,0,0|0,0,1]=2 27 B6R0.8 COC(C)(C)CN W19681 [1,0,0,0,0,0|0,0,1]=2 28 B6R0.8 CSC(C)(C)CCl AT13953 [1,0,0,0,0,0|1,1,0]=3 29 B6R0.8 CSC(C)(C)CN AT13938 [1,0,0,0,0,0|0,1,1]=3 30 B6R0.8 CSC(C)(C)CO AT13941 [1,0,0,0,0,0|1,1,0]=3 31 B8R0.30 CC(C)(CCO)CCO AT18917 [0,1,0,0,0,0|3,0,0]=4 32 B8R1.51 CC1(C)CC(=O)CO1 P20320 [0,0,0,1,0,0|2,0,0]=3 33 B8R1.51 CC1(C)CC(=O)CS1 31047 [0,0,0,1,0,0|2,1,0]=4 34 B8R1.66 CC1(CC=O)CCC1 P20317 [0,0,0,1,0,0|3,0,0]=4 35 B8R1.72 CC1(C)CCCCN1 AT24213 [0,0,0,1,0,0|2,0,1]=4 36 B8R1.72 CC1(C)CCCNC1 F30179 [0,0,0,1,0,0|1,0,2]=4 37 B8R1.72 CC1(C)COCCN1 S10178 [0,0,0,1,0,0|2,0,1]=4 38 B8R1.82 CNC1(COC)CC1 AT23520 [0,0,0,1,0,0|2,0,1]=4 39 B8R1.82 COC1(CCN)CC1 P15165 [0,0,0,1,0,0|2,0,0]=3 40 B5R0.1 CC(C)CNN AR2531 [2,0,0,0,0,0|1,0,1]=4 41 B5R0.1 C[C@H](O)CCN D77181 [2,0,0,0,0,0|2,0,0]=4 42 B5R0.1 C[C@H](O)CCN D77194 [2,0,0,0,0,0|2,0,0]=4 43 B5R0.1 C[C@H](O)CNN W10671 [2,0,0,0,0,0|1,0,1]=4 44 B5R0.1 C[C@H](O)CON AT14481 [2,0,0,0,0,0|2,0,0]=4 45 B5R0.2 C#CCCOC AC9661 [2,0,0,0,0,0|1,0,1]=4 46 B5R0.2 COCCNN AC7088 [2,0,0,0,0,0|1,0,1]=4 47 B5R0.3 CC[C@H](C)CBr D86395 [2,0,0,0,0,0|2,0,0]=4 48 B5R0.3 CC[C@H](C)CN 88661 [2,0,0,0,0,0|1,0,1]=4 49 B5R0.3 CC[C@H](C)CO 88660 [2,0,0,0,0,0|2,0,0]=4 50 B5R0.3 CC[C@H](C)ON AT14504 [2,0,0,0,0,0|1,0,1]=4 51 B5R0.3 CO[C@@H](C)CN 91000 [2,0,0,0,0,0|0,0,1]=3 52 B5R0.4 CC(C)(C)Cl=O D90846 [2,0,0,0,0,0|2,0,0]=4 53 B5R0.4 CC(C)(N)CF AT13343 [2,0,0,0,0,0|2,0,0]=4 54 B5R0.4 CC(C)(N)CN F16110 [2,0,0,0,0,0|1,0,1]=4 55 B5R0.4 [2H]C(C)(C)CO D98435 [2,0,0,0,0,0|2,0,0]=4 56 B5R0.4 [2H]OC(C)(C)C D99425 [2,0,0,0,0,0|1,0,0]=3 57 B7R0.10 [C-]#[N+][C@@H](C)C(=O)OC AC8795 [1,1,0,0,0,0|1,0,1]=4 58 B7R0.12 C#CCC(OC)OC 51903 [1,1,0,0,0,0|1,0,1]=4 59 B7R0.8 CC(C)(C)NCCN AT13989 [1,1,0,0,0,0|2,0,0]=4 60 B7R0.8 CC(C)(C)OCCBr AT13987 [1,1,0,0,0,0|2,0,0]=4 61 B7R0.8 CC(C)(C)OCCI AT13988 [1,1,0,0,0,0|2,0,0]=4 62 B7R0.8 CC(C)(C)OCCS AT13759 [1,1,0,0,0,0|2,0,0]=4 63 B7R0.8 CC(C)(C)SCCBr AT13957 [1,1,0,0,0,0|2,0,0]=4 64 B7R0.8 CC(C)(C)SCCI AT13958 [1,1,0,0,0,0|2,0,0]=4 65 B7R0.8 CC(C)(C)SCCO AT13948 [1,1,0,0,0,0|2,0,0]=4 66 B7R0.8 CC(C)(C)SCCS AT13955 [1,1,0,0,0,0|2,0,0]=4 67 B7R0.8 CCCNC(C)(C)C AT13992 [1,1,0,0,0,0|1,0,1]=4 68 B7R0.8 CONCC(C)(C)C AT24905 [1,1,0,0,0,0|0,0,2]=4 69 B7R0.9 C=C(C)CC(C)(C)C F21333 [1,1,0,0,0,0|1,0,1]=4 70 B7R0.14 CC(C)(C)[C@@H](N)CF 97895 [1,1,0,0,0,0|2,0,0]=4 71 B7R0.14 CC(C)(C)[C@@H](N)CF 97896 [1,1,0,0,0,0|2,0,0]=4 72 B7R0.14 CC(C)(C)[C@@H](N)CO AT21573 [1,1,0,0,0,0|2,0,0]=4 73 B7R0.14 CC(C)(C)[C@@H](N)CO AT21575 [1,1,0,0,0,0|2,0,0]=4 74 B7R0.14 CC(C)(C)[C@@H](O)CN 70290 [1,1,0,0,0,0|2,0,0]=4 75 B7R0.14 CC(C)(C)[C@H](Br)C=O F31119 [1,1,0,0,0,0|2,0,0]=4 76 B7R0.14 CC(C)(O)[C@@H](F)CN AC4900 [1,1,0,0,0,0|2,0,0]=4 77 B7R0.14 CC(C)(O)[C@@H](N)CF C92624 [1,1,0,0,0,0|2,0,0]=4 78 B7R0.14 CC(C)(O)[C@@H](N)CF C92628 [1,1,0,0,0,0|2,0,0]=4 79 B7R0.14 CC[C@H](C)C(C)(C)C T72627 [1,1,0,0,0,0|1,0,1]=4 80 B7R0.13 COC(C)(C)C(=N)N AT24383 [1,1,0,0,0,0|0,0,2]=4 81 B7R0.13 COC(C)(C)C(C)=O S10204 [1,1,0,0,0,0|0,0,2]=4 82 B9R0.60 COC(=O)C(C)(C)CC#N AT25865 [0,2,0,0,0,0|2,0,0]=4 83 B9R0.62 CCCC(CC)(OC)OC T70113 [0,2,0,0,0,0|1,0,1]=4 84 B9R0.30 COC(C)(C)CS(N)(=O)=O AT20630 [0,2,0,0,0,0|2,0,0]=4 85 B7R1.10 COC1CC(N)C1 P12017 [1,0,0,1,0,0|2,0,0]=4 86 B7R1.14 C[C@]1(O)CNOC1 A50949 [1,0,0,1,0,0|1,0,1]=4 87 B7R1.14 C[C@]1(O)CNOC1 AT14854 [1,0,0,1,0,0|1,0,1]=4 88 B7R1.23 CC1(C)C[C@@H]1CN 69322 [1,0,0,1,0,0|2,0,0]=4 89 B7R1.23 CC1(C)C[C@@H]1CN AT12868 [1,0,0,1,0,0|2,0,0]=4 90 B7R1.29 CCC1(CO)CC1 AT23872 [1,0,0,1,0,0|2,0,0]=4 91 B7R1.29 CNC1(CO)CC1 98659 [1,0,0,1,0,0|2,0,0]=4 92 B7R1.29 COC1(CN)CC1 P17998 [1,0,0,1,0,0|0,0,1]=3 93 B9R1.118 COC1(C)CCNCC1 F13725 [0,1,0,1,0,0|0,0,2]=4 94 B9R1.133 C=C[C@@H]1COC(C)(C)N1 D77351 [0,1,0,1,0,0|1,0,1]=4 95 B9R1.133 CC1(C)C[C@H](CO)CO1 54908 [0,1,0,1,0,0|1,0,1]=4 96 B9R1.133 CC1(C)OC[C@@H](C=O)O1 F18084 [0,1,0,1,0,0|2,0,0]=4 97 B9R1.133 CC1(C)OC[C@H](CF)O1 AT22388 [0,1,0,1,0,0|2,0,0]=4 98 B9R1.66 CC1(C)COC[C@@H](N)O1 65986 [0,1,0,1,0,0|1,0,1]=4 99 B9R1.66 CC1(C)C[C@@H](N)CCO1 32721 [0,1,0,1,0,0|1,0,1]=4 100 B9R1.134 CC1(CCI)OCCO1 AC6319 [0,1,0,1,0,0|2,0,0]=4 101 B9R1.124 COC1(OC)CC(N)C1 P14267 [0,1,0,1,0,0|2,0,0]=4 102 B9R1.204 COC1(OC)CCCC1 T71471 [0,1,0,1,0,0|1,0,1]=4 103 B9R1.204 COC1(OC)CCNC1 P12570 [0,1,0,1,0,0|0,0,2]=4 104 B9R2.173 C1C[C@@]2(CCO2)CN1 32927 [0,0,0,2,0,0|0,0,2]=4 105 B9R2.173 C1C[C@@]2(CCO2)CN1 CS2754 [0,0,0,2,0,0|0,0,2]=4