0 B9R0.37 CC=C(C#N)C(=O)OCC D94304 [0,0,0,0,0,0|1,0,3]=4 1 B9R0.37 CCNC(=O)N(CC)CC A10889 [0,0,0,0,0,0|2,0,0]=2 2 B9R0.37 CCOC(=O)C(CO)CO C13497 [0,0,0,0,0,0|2,0,0]=2 3 B9R0.37 CCOC(=O)\C(CCl)=N/O W19300 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.3 CCOC(=O)[C@@H](O)CC T72564 [1,0,0,0,0,0|1,0,0]=2 5 B8R0.20 CCN(CC)C(=O)CN D95088 [1,0,0,0,0,0|2,0,0]=3 6 B8R0.20 CC[C@@H](CO)C(=O)OC AB9727 [1,0,0,0,0,0|1,0,0]=2 7 B8R0.20 CC[C@H](C#N)C(=O)OC Y14710 [1,0,0,0,0,0|1,0,1]=3 8 B8R0.20 COC(=O)C(CN)CN N13257 [1,0,0,0,0,0|2,0,0]=3 9 B10R0.144 CCN(CC)C(=O)C=C(C)C C13864 [0,1,0,0,0,0|2,0,1]=4 10 B10R1.11 CCOC(=O)C1=CCCC1 71128 [0,0,0,1,0,0|0,0,2]=3 11 B10R1.11 CCOC(=O)[C@H]1CCNC1 AC2254 [0,0,0,1,0,0|1,0,0]=2 12 B10R1.11 N#CCC(=O)C1CCCC1 84149 [0,0,0,1,0,0|2,0,1]=4 13 B10R1.222 CCN(CC)C(=O)C1CC1 CS1122 [0,0,0,1,0,0|2,0,0]=3 14 B10R1.405 CCOC(=O)C1(C=O)CC1 I11035 [0,0,0,1,0,0|1,0,1]=3 15 B10R1.405 CCOC(=O)C1(CBr)CC1 F30356 [0,0,0,1,0,0|1,0,0]=2 16 B10R1.405 CCOC(=O)C1(CO)CC1 71894 [0,0,0,1,0,0|1,0,0]=2 17 B7R0.5 CCOC(=O)[C@H](C)O D75729 [2,0,0,0,0,0|1,0,0]=3 18 B7R0.5 CCSC(=O)[C@H](C)N C14826 [2,0,0,0,0,0|1,1,0]=4 19 B7R0.7 CCNC(=O)CCCl Y14703 [2,0,0,0,0,0|2,0,0]=4 20 B7R0.7 CCNC(=O)CNC A12930 [2,0,0,0,0,0|2,0,0]=4 21 B7R0.10 CC[C@H](Br)C(=O)OC D86786 [2,0,0,0,0,0|1,0,0]=3 22 B7R0.10 CC[C@H](O)C(=O)OC 98375 [2,0,0,0,0,0|1,0,0]=3 23 B7R0.10 CN[C@@H](C)C(=O)OC D84514 [2,0,0,0,0,0|1,0,0]=3 24 B7R0.10 COC(=O)[C@@H](Br)CO AB21729 [2,0,0,0,0,0|2,0,0]=4 25 B7R0.10 COC(=O)[C@@H](C)CBr T71508 [2,0,0,0,0,0|1,0,0]=3 26 B7R0.10 COC(=O)[C@@H](Cl)CCl D77820 [2,0,0,0,0,0|2,0,0]=4 27 B7R0.10 COC(=O)[C@@H](N)CCl FD3044 [2,0,0,0,0,0|2,0,0]=4 28 B7R0.10 COC(=O)[C@@H](O)CN AC4978 [2,0,0,0,0,0|2,0,0]=4 29 B7R0.10 COC(=O)[C@@H](O)CN D97235 [2,0,0,0,0,0|2,0,0]=4 30 B7R0.10 COC(=O)[C@@H](O)CO FD9041 [2,0,0,0,0,0|2,0,0]=4 31 B7R0.12 CCN[C@@H](CC)CO 29377 [2,0,0,0,0,0|2,0,0]=4 32 B7R0.15 CCN(CC)C(=O)Cl F20301 [2,0,0,0,0,0|2,0,0]=4 33 B7R0.15 CC[C@H](NC)C(=O)O W18322 [2,0,0,0,0,0|1,0,0]=3 34 B7R0.15 CC[C@H](OC)C(=O)O AC6372 [2,0,0,0,0,0|1,0,0]=3 35 B7R0.15 CN[C@@H](CO)C(=O)O F11106 [2,0,0,0,0,0|2,0,0]=4 36 B9R0.6 CCOC(=O)C(=O)[C@H](C)Br C10122 [1,1,0,0,0,0|1,0,1]=4 37 B9R0.6 CCOC(=O)[C@@H](C)C(=O)[O-] AC8075 [1,1,0,0,0,0|1,0,1]=4 38 B9R0.6 CCOC(=O)[C@@H](C)C(N)=S W18275 [1,1,0,0,0,0|1,0,1]=4 39 B9R0.19 C#CC(C)(C)C(=O)OCC 20997 [1,1,0,0,0,0|0,0,2]=4 40 B9R0.19 CCOC(=O)C(C)(C)NC 78903 [1,1,0,0,0,0|1,0,0]=3 41 B9R0.23 CC(C)OC(=O)[C@@H](N)CO C13272 [1,1,0,0,0,0|2,0,0]=4 42 B9R0.35 CCCN(N)C(=O)OCC W11062 [1,1,0,0,0,0|2,0,0]=4 43 B9R0.35 CCNC(=O)C(=O)OCC W18547 [1,1,0,0,0,0|1,0,1]=4 44 B9R0.29 CN[C@H](C(=O)OC)C(C)C A51171 [1,1,0,0,0,0|1,0,0]=3 45 B9R0.29 CN[C@H](C(=O)OC)[C@@H](C)O W19727 [1,1,0,0,0,0|1,0,0]=3 46 B9R0.29 COC(=O)[C@@H](C#N)C(C)C Y11402 [1,1,0,0,0,0|1,0,1]=4 47 B9R0.41 CCN(CC)C(=O)[C@H](C)N W10028 [1,1,0,0,0,0|1,0,0]=3 48 B11R0.182 CCC[C@H](CC)CC(=O)OCC D93218 [0,1,0,0,0,1|0,0,0]=2 49 B11R0.56 CCOC(=O)[C@H](CS)NC(C)=O F31243 [0,2,0,0,0,0|1,0,1]=4 50 B11R0.61 CCOC(OCC)[P@H](=O)OCC AB7189 [0,2,0,0,0,0|1,0,0]=3 51 B11R0.175 CCOC(=O)C(C(C)=O)C(C)=O D77633 [0,2,0,0,0,0|0,0,2]=4 52 B11R0.252 CCOC(=O)C(C#N)(CC)CC 20549 [0,2,0,0,0,0|0,0,0]=2 53 B11R0.172 CCN(CC)C(=O)OC(C)(C)C 21184 [0,2,0,0,0,0|1,0,0]=3 54 B9R1.5 C[C@@H]1NCCCNC1=O F50270 [1,0,0,1,0,0|2,0,0]=4 55 B9R1.5 C[C@@H]1NCCCNC1=O F50344 [1,0,0,1,0,0|2,0,0]=4 56 B9R1.5 C[C@H]1CCNCCC1=O 73013 [1,0,0,1,0,0|2,0,0]=4 57 B9R1.5 N[C@H]1CCCCNC1=O A56020 [1,0,0,1,0,0|2,0,0]=4 58 B9R1.11 CC[C@H](C)C1=NCCS1 W15587 [1,0,0,1,0,0|1,1,0]=4 59 B9R1.15 CC[C@@H]1NCCCC1=O 63470 [1,0,0,1,0,0|2,0,0]=4 60 B9R1.15 CO[C@H]1CCCNC1=O O11031 [1,0,0,1,0,0|2,0,0]=4 61 B9R1.69 CC1CCC(C)C(=O)C1 T71472 [1,0,0,1,0,0|1,0,0]=3 62 B9R1.73 CCOC(=N)C1CCC1 C13282 [1,0,0,1,0,0|1,0,0]=3 63 B9R1.81 COC(=O)C1CNC1C P14367 [1,0,0,1,0,0|1,0,0]=3 64 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N 37832 [1,0,0,1,0,0|1,0,0]=3 65 B9R1.190 CNC1(C(=O)OC)CC1 C91676 [1,0,0,1,0,0|1,0,0]=3 66 B9R1.190 COC(=O)C1(C=O)CC1 93153 [1,0,0,1,0,0|1,0,1]=4 67 B9R1.190 COC(=O)C1(CO)CC1 F51922 [1,0,0,1,0,0|1,0,0]=3 68 B11R1.30 CCOC(=O)C=C1CCCC1 95468 [0,0,0,1,0,1|0,0,1]=3 69 B11R1.30 CCOC(=O)CC1CCCC1 F11924 [0,0,0,1,0,1|0,0,0]=2 70 B11R1.30 CCOC(=O)C[C@H]1CCNC1 P12138 [0,0,0,1,0,1|1,0,0]=3 71 B11R1.404 COC1(OC)CCOCC1=O P12465 [0,1,0,1,0,0|2,0,0]=4 72 B11R1.1463 CCN(CC)C(=O)[C@@H]1C[C@@H]1I CS3129 [0,1,0,1,0,0|2,0,0]=4 73 B11R1.15 CCOC(=O)C1CCC(O)C1 C14287 [0,1,0,1,0,0|0,0,0]=2 74 B11R1.15 CCOC(=O)[C@@H]1C[C@@H](C)CN1 FD7112 [0,1,0,1,0,0|1,0,0]=3 75 B11R1.15 CCOC(=O)[C@H]1CCN(C)C1 30995 [0,1,0,1,0,0|0,0,0]=2 76 B11R1.16 CCCC(=O)N1CCNCC1 D76298 [0,1,0,1,0,0|2,0,0]=4 77 B11R1.16 CCOC(=O)C1=CCNCC1 W10892 [0,1,0,1,0,0|0,0,2]=4 78 B11R1.16 CCOC(=O)[C@@H]1CCCCO1 S11652 [0,1,0,1,0,0|0,0,0]=2 79 B11R1.16 CCOC(=O)[C@@H]1CNCCO1 31686 [0,1,0,1,0,0|1,0,0]=3 80 B11R1.16 CCOC(=O)[C@@H]1CNCCS1 32555 [0,1,0,1,0,0|1,0,0]=3 81 B11R1.16 CCOC(=O)[C@@H]1CSCCN1 66701 [0,1,0,1,0,0|1,0,0]=3 82 B11R1.16 O=C(OCCl)N1CCOCC1 F52722 [0,1,0,1,0,0|2,0,0]=4 83 B11R1.199 CCOC(=O)C1CCCC1O 74882 [0,1,0,1,0,0|0,0,0]=2 84 B11R1.199 CCOC(=O)C1NCCC1N 60856 [0,1,0,1,0,0|1,0,0]=3 85 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N 30653 [0,1,0,1,0,0|0,0,0]=2 86 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N 31838 [0,1,0,1,0,0|0,0,0]=2 87 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N 31887 [0,1,0,1,0,0|0,0,0]=2 88 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N AC4201 [0,1,0,1,0,0|0,0,0]=2 89 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N C13819 [0,1,0,1,0,0|0,0,0]=2 90 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1O C74194 [0,1,0,1,0,0|0,0,0]=2 91 B11R1.199 CCOC(=O)[C@@H]1CCNC1=O 38525 [0,1,0,1,0,0|1,0,1]=4 92 B11R1.199 CCOC(=O)[C@H]1CCC[C@@H]1N AC6749 [0,1,0,1,0,0|0,0,0]=2 93 B11R1.199 CCOC(=O)[C@H]1CCC[C@@H]1N AT11251 [0,1,0,1,0,0|0,0,0]=2 94 B11R1.199 CCOC(=O)[C@H]1CNC[C@@H]1C F13023 [0,1,0,1,0,0|0,0,0]=2 95 B11R1.823 CCOC(=O)[C@@H](C#N)C1CC1 D72926 [0,1,0,1,0,0|1,0,1]=4 96 B11R1.831 CCOC(=O)C1(C#N)CCC1 F13248 [0,1,0,1,0,0|1,0,1]=4 97 B11R1.831 CCOC(=O)C1(CC)CCC1 P17180 [0,1,0,1,0,0|0,0,0]=2 98 B11R1.831 CCOC(=O)C1(CN)CCC1 27019 [0,1,0,1,0,0|1,0,0]=3 99 B11R1.835 CCOC(=O)C1(C(C)=O)CC1 61937 [0,1,0,1,0,0|0,0,1]=3 100 B11R1.819 CCOC(=O)C1(Br)CCCC1 P16851 [0,1,0,1,0,0|0,0,0]=2 101 B11R1.819 CCOC(=O)C1(O)CCCC1 W18607 [0,1,0,1,0,0|0,0,0]=2 102 B11R1.819 CCOC(=O)[C@]1(O)CCSC1 W10817 [0,1,0,1,0,0|1,0,0]=3 103 B11R2.3 O=C1NCC[C@]12CCNC2 37873 [0,0,0,2,0,0|2,0,0]=4 104 B11R2.201 O=C1OC(=O)[C@@H]2CC[C@H]1C2 F53086 [0,0,0,2,0,0|1,0,1]=4 105 B9R0.34 CCOC(=O)C[C@@H](C)CC D78451 [1,0,0,0,0,1|0,0,0]=2 106 B9R0.34 CCOC(=O)C[C@H](C)NC AC6615 [1,0,0,0,0,1|1,0,0]=3 107 B9R0.34 CCOC(=O)C[C@H](O)CCl 32733 [1,0,0,0,0,1|2,0,0]=4