0 B8R0.28 C=C(C)CCCC(C)C T70747 [0,0,0,0,0,0|1,0,2]=3 1 B8R0.28 CC(=O)CCCC(C)=O AC9369 [0,0,0,0,0,0|1,0,3]=4 2 B8R0.28 CC(=O)CCCN(C)C AC6136 [0,0,0,0,0,0|1,0,3]=4 3 B8R0.28 CC(C)=CCNC(=N)N 42806 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.28 CC(C)CCOC(=O)Cl AC2336 [0,0,0,0,0,0|4,0,0]=4 5 B8R0.28 CC(C)CNCC(C)C A11894 [0,0,0,0,0,0|2,0,2]=4 6 B8R0.28 CC(C)C\C=C\C(=O)O 81164 [0,0,0,0,0,0|3,0,1]=4 7 B8R0.28 CC(C)C\C=C\C(N)=O 81121 [0,0,0,0,0,0|3,0,1]=4 8 B8R0.28 CN(C)CCCC(=O)O A11102 [0,0,0,0,0,0|2,0,2]=4 9 B7R0.4 C=C(C)CC\C=C\C T72820 [1,0,0,0,0,0|1,0,1]=3 10 B7R0.4 CC(=O)NCCCN AR2174 [1,0,0,0,0,0|3,0,0]=4 11 B7R0.4 CCCCCC(N)=S W19000 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.4 CN(C)CCCCN V10255 [1,0,0,0,0,0|2,0,1]=4 13 B7R0.4 CNCCNC(C)=O C77870 [1,0,0,0,0,0|3,0,0]=4 14 B9R0.1 CC[C@H](C)CCCC(C)C T70540 [0,1,0,0,0,0|1,0,2]=4 15 B9R0.7 CC(C)=CC[C@H](N)C(=O)O A50387 [0,1,0,0,0,0|1,0,1]=3 16 B9R0.7 CC(C)=CC[C@H](N)C(=O)O A50388 [0,1,0,0,0,0|1,0,1]=3 17 B9R0.7 CC(C)=CC[C@H](N)C(=O)O A50389 [0,1,0,0,0,0|1,0,1]=3 18 B9R1.35 CC(=O)N1CC[C@H](N)C1 C72166 [0,0,0,1,0,0|3,0,0]=4 19 B9R1.35 CC(C)N1CC[C@H](N)C1 P10718 [0,0,0,1,0,0|2,0,1]=4 20 B9R1.35 CC(C)N1CC[C@H](O)C1 F14624 [0,0,0,1,0,0|1,0,1]=3 21 B9R1.35 N=C(N)N1CC[C@H](O)C1 73482 [0,0,0,1,0,0|3,0,0]=4 22 B9R1.53 CC(=O)N[C@H]1C[C@H](N)C1 W10919 [0,0,0,1,0,0|3,0,0]=4 23 B9R1.66 CC1(C)CC=CC(=O)C1 F12457 [0,0,0,1,0,0|2,0,1]=4 24 B9R1.66 CC1(C)CCC[C@H](O)C1 F20634 [0,0,0,1,0,0|0,0,2]=3 25 B9R1.66 CC1(C)C[C@@H](N)CCO1 32721 [0,0,0,1,0,0|2,0,1]=4 26 B9R1.66 CC1(C)C[C@@H](N)CCS1 89937 [0,0,0,1,0,0|2,0,1]=4 27 B9R1.66 CC1(C)C[C@@H](O)CCN1 Y10086 [0,0,0,1,0,0|1,0,1]=3 28 B9R1.66 C[C@H]1CCCC(C)(C)C1 T72270 [0,0,0,1,0,0|1,0,2]=4 29 B9R1.150 CC1(C)CCC[C@]1(C)N F53828 [0,0,0,1,0,0|1,0,2]=4 30 B7R0.6 CC(C)CC[C@H](C)N C11213 [0,0,0,0,1,0|1,0,1]=3 31 B7R0.6 CC(C)OC[C@H](C)O T72421 [0,0,0,0,1,0|1,0,1]=3 32 B6R0.4 C=C(C)CCCO 71061 [2,0,0,0,0,0|0,0,1]=3 33 B6R0.4 CCNC[C@H](C)O 91070 [2,0,0,0,0,0|1,0,1]=4 34 B6R0.4 C[C@H](N)CCCO AT20758 [2,0,0,0,0,0|1,0,1]=4 35 B6R0.4 C[C@H](O)CCC#N F51113 [2,0,0,0,0,0|1,0,1]=4 36 B6R0.4 C[C@H](O)CCCBr A11305 [2,0,0,0,0,0|1,0,1]=4 37 B6R0.4 C[C@H](O)CCCN AT20756 [2,0,0,0,0,0|1,0,1]=4 38 B6R0.4 NC(=O)CCCO AT20755 [2,0,0,0,0,0|2,0,0]=4 39 B6R0.6 C\C=C/CCCCl T71143 [2,0,0,0,0,0|1,0,0]=3 40 B6R0.6 O=CNCCCO AC9004 [2,0,0,0,0,0|2,0,0]=4 41 B8R0.5 CCC[C@H](C)OC(C)=O 73904 [1,1,0,0,0,0|2,0,0]=4 42 B8R0.6 CC[C@H](C)CCCCO T72651 [1,1,0,0,0,0|0,0,2]=4 43 B8R0.7 CC(=O)NCCCCN S12336 [1,1,0,0,0,0|2,0,0]=4 44 B8R0.7 CNCCCCN(C)C F51688 [1,1,0,0,0,0|1,0,1]=4 45 B8R0.7 CNCCCNC(C)=O C78307 [1,1,0,0,0,0|2,0,0]=4 46 B8R0.8 CCCCC(=O)[C@H](C)N D78735 [1,1,0,0,0,0|1,0,1]=4 47 B8R0.8 CCCC[C@H](C)C(C)C T70746 [1,1,0,0,0,0|0,0,2]=4 48 B8R0.8 CN(C)C(=O)NCCO AT23088 [1,1,0,0,0,0|2,0,0]=4 49 B8R0.9 C=CC(=O)NC[C@H](C)O AC9846 [1,1,0,0,0,0|1,0,1]=4 50 B8R0.9 CC(=O)OC[C@@H](O)CO A10893 [1,1,0,0,0,0|2,0,0]=4 51 B8R0.9 CC(C)CC[C@H](N)CO AT16865 [1,1,0,0,0,0|0,0,2]=4 52 B8R0.21 CC(C)(C)NCCCO W10522 [1,1,0,0,0,0|1,0,1]=4 53 B8R0.21 CC(C)(C)OCCCO AT13983 [1,1,0,0,0,0|1,0,1]=4 54 B8R0.23 CC(C)CC(=O)C(C)C T70480 [0,1,0,0,1,0|1,0,1]=4 55 B8R0.23 CC(C)[C@@H](N)CN(C)C C78255 [0,1,0,0,1,0|2,0,0]=4 56 B8R0.23 CC(C)[C@@H](N)CN(C)C C78460 [0,1,0,0,1,0|2,0,0]=4 57 B8R0.23 CC(C)[C@@H](N)CN(C)C C78501 [0,1,0,0,1,0|2,0,0]=4 58 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O AC8171 [0,1,0,0,1,0|2,0,0]=4 59 B8R0.29 CC(C)CCC(C)(C)C T72348 [0,1,0,0,1,0|1,0,1]=4 60 B8R0.29 CN(C)CCC(C)(C)N Y10201 [0,1,0,0,1,0|2,0,0]=4 61 B10R0.70 CC(C)=C[C@H](CN)CC(=O)O F19337 [0,2,0,0,0,0|1,0,1]=4 62 B8R1.1 CC1CC(CO)CN1 W10508 [1,0,0,1,0,0|1,0,1]=4 63 B8R1.1 CC[C@@H]1CNC(=O)C1 P10810 [1,0,0,1,0,0|2,0,0]=4 64 B8R1.1 CC[C@H]1CCC(=O)C1 W18649 [1,0,0,1,0,0|1,0,1]=4 65 B8R1.1 O=C1CC[C@H](CO)C1 D97067 [1,0,0,1,0,0|1,0,1]=4 66 B8R1.4 CC1CCNC(C)C1 D87679 [1,0,0,1,0,0|1,0,1]=4 67 B8R1.4 CN1CCC=C(Br)C1 S11379 [1,0,0,1,0,0|2,0,0]=4 68 B8R1.4 CN1CCC[C@H](O)C1 AC6069 [1,0,0,1,0,0|1,0,1]=4 69 B8R1.4 C[C@H]1CCCC(=O)C1 90784 [1,0,0,1,0,0|1,0,1]=4 70 B8R1.4 C[C@H]1C[C@@H](O)CCN1 P12569 [1,0,0,1,0,0|1,0,1]=4 71 B8R1.4 O=C1CCC[C@H](O)C1 P16037 [1,0,0,1,0,0|1,0,1]=4 72 B8R1.6 CCC=C1CC(O)C1 AT14798 [1,0,0,1,0,0|0,0,2]=4 73 B8R1.7 CC(=O)C1=NCCC1 H10253 [1,0,0,1,0,0|2,0,0]=4 74 B8R1.7 CC(=O)[C@@H]1CCCO1 74204 [1,0,0,1,0,0|1,0,1]=4 75 B8R1.7 CC(C)C1CCCC1 T72412 [1,0,0,1,0,0|0,0,2]=4 76 B8R1.7 CC(O)C1CCNC1 72765 [1,0,0,1,0,0|1,0,1]=4 77 B8R1.7 CC(O)C1CCNC1 W10547 [1,0,0,1,0,0|1,0,1]=4 78 B8R1.7 CN(C)C1CC=CC1 F20793 [1,0,0,1,0,0|2,0,0]=4 79 B8R1.22 C[C@H]1CCCCCN1 AT22104 [1,0,0,1,0,0|1,0,1]=4 80 B8R1.22 C[C@H]1COCCCN1 AT11435 [1,0,0,1,0,0|1,0,1]=4 81 B8R1.22 O[C@H]1CCCOCC1 55130 [1,0,0,1,0,0|1,0,1]=4 82 B8R1.34 CC(=O)C=C1CCC1 F20871 [1,0,0,1,0,0|1,0,1]=4 83 B8R1.34 CC(C)NC1CCC1 AT13081 [1,0,0,1,0,0|1,0,1]=4 84 B8R1.36 CCCCC[C@H]1CO1 T72538 [1,0,0,1,0,0|0,0,2]=4 85 B8R1.72 CC1(C)CCCCN1 AT24213 [1,0,0,1,0,0|1,0,1]=4 86 B8R1.3 CC1COC(C)CN1 F12415 [0,0,0,1,1,0|1,0,1]=4 87 B8R1.3 CN1CCC(Br)CC1 AC6332 [0,0,0,1,1,0|2,0,0]=4 88 B8R1.3 CN1CCC(I)CC1 D97152 [0,0,0,1,1,0|2,0,0]=4 89 B8R1.3 CN1CCC(S)CC1 AT13364 [0,0,0,1,1,0|1,1,0]=4 90 B8R1.3 C[C@H]1CC[C@@H](N)CC1 N13044 [0,0,0,1,1,0|1,0,1]=4 91 B8R1.3 C[C@H]1CC[C@H](C)NC1 29624 [0,0,0,1,1,0|1,0,1]=4 92 B8R1.3 C[C@H]1CNC(=O)CO1 AT13719 [0,0,0,1,1,0|2,0,0]=4 93 B8R1.3 C[C@H]1CNC(=O)CO1 AT13722 [0,0,0,1,1,0|2,0,0]=4 94 B8R1.3 C[C@H]1CN[C@H](C)CO1 S11084 [0,0,0,1,1,0|1,0,1]=4 95 B8R1.3 O=C1CCC(Br)CC1 C77503 [0,0,0,1,1,0|2,0,0]=4 96 B8R1.3 OC1CCC(Br)CC1 P19527 [0,0,0,1,1,0|1,0,1]=4 97 B8R1.23 CC(C)N1CC(O)C1 P11847 [0,0,0,1,1,0|1,0,1]=4 98 B8R1.23 CN(C)C1CC(O)C1 AT20147 [0,0,0,1,1,0|1,0,0]=3 99 B8R1.23 CN(C)[C@H]1C[C@H](O)C1 AT20146 [0,0,0,1,1,0|1,0,0]=3 100 B10R1.113 CC(=O)N1CCC[C@H](O)C1 AB7340 [0,0,0,1,0,1|1,0,1]=4 101 B10R1.113 CC(=O)N1CCC[C@H](O)C1 C16296 [0,0,0,1,0,1|1,0,1]=4 102 B10R1.113 CC(=O)N1CCC[C@H](O)C1 F17732 [0,0,0,1,0,1|1,0,1]=4 103 B10R1.14 COC(=O)N1CC[C@H](O)C1 AT22495 [0,1,0,1,0,0|2,0,0]=4 104 B10R1.31 CC(=O)N1CC[C@H](CO)C1 P19907 [0,1,0,1,0,0|2,0,0]=4 105 B10R1.194 CC1=C(C(=O)O)CC[C@@H]1O 97942 [0,1,0,1,0,0|2,0,0]=4 106 B10R1.81 CN(C)C(=O)N1CC(O)C1 AT23070 [0,1,0,1,0,0|2,0,0]=4 107 B10R1.81 CN(C)C(=O)[C@H]1C[C@@H](N)C1 32243 [0,1,0,1,0,0|2,0,0]=4 108 B10R1.120 CC1(C)C[C@@H](O)CCC1=O F30863 [0,1,0,1,0,0|0,0,1]=3 109 B10R1.147 CC1=CC(C)(C)CCC1=O 90811 [0,1,0,1,0,0|1,0,1]=4 110 B6R0.2 CC(C)C[C@H](C)N 90224 [0,0,0,0,2,0|1,0,1]=4 111 B6R0.2 C[C@H](N)CN(C)C AT11417 [0,0,0,0,2,0|2,0,0]=4 112 B6R0.2 C[C@H](N)CN(C)C C78207 [0,0,0,0,2,0|2,0,0]=4 113 B6R0.2 C[C@H](N)CN(C)C C78491 [0,0,0,0,2,0|2,0,0]=4