0 B7R1.3 BrC1=CCCNC1 D85784 [0,0,0,0,0,0|2,0,1]=3 1 B7R1.3 Br[C@H]1CCCNC1 C14028 [0,0,0,0,0,0|2,0,2]=4 2 B7R1.3 C=C1CCCNC1 W15931 [0,0,0,0,0,0|2,0,1]=3 3 B7R1.3 C=C1CCNCC1 33821 [0,0,0,0,0,0|2,0,2]=4 4 B7R1.3 CC1=CCOCC1 F17726 [0,0,0,0,0,0|2,0,1]=3 5 B7R1.3 C[C@H]1CCCCN1 N14212 [0,0,0,0,0,0|2,0,2]=4 6 B7R1.3 C[C@H]1CCCNC1 F14484 [0,0,0,0,0,0|2,0,2]=4 7 B7R1.3 ClC1=CC=NC=C1 F17303 [0,0,0,0,0,0|2,0,2]=4 8 B7R1.3 ClC1=CCCCC1 FD10699 [0,0,0,0,0,0|1,0,1]=2 9 B7R1.3 ClC1=CN=NC=C1 F19795 [0,0,0,0,0,0|3,0,1]=4 10 B7R1.3 ClC1=NC=NC=C1 F18311 [0,0,0,0,0,0|3,0,1]=4 11 B7R1.3 FC1=CC=NC=C1 F19691 [0,0,0,0,0,0|2,0,2]=4 12 B7R1.3 F[13C]1=[13CH][13CH]=[13CH][13CH]=[13CH]1 40525 [0,0,0,0,0,0|1,0,3]=4 13 B7R1.3 IC1=NC=NC=C1 C15557 [0,0,0,0,0,0|3,0,1]=4 14 B7R1.3 N[C@@H]1C=CCCC1 AB10372 [0,0,0,0,0,0|1,0,1]=2 15 B7R1.3 N[C@@H]1CC=CCC1 AB8978 [0,0,0,0,0,0|1,0,3]=4 16 B7R1.3 N[C@H]1CCCOC1 F31015 [0,0,0,0,0,0|2,0,2]=4 17 B7R1.3 N[C@H]1CCCOC1 P11042 [0,0,0,0,0,0|2,0,2]=4 18 B7R1.3 O=C1C=NCN=C1 36727 [0,0,0,0,0,0|2,0,1]=3 19 B7R1.3 O=C1C=NN=CN1 F30273 [0,0,0,0,0,0|3,0,1]=4 20 B7R1.3 O=S1CCOCC1 A51207 [0,0,0,0,0,0|2,0,2]=4 21 B7R1.3 OC1=CN=NC=C1 O12057 [0,0,0,0,0,0|2,0,2]=4 22 B7R1.3 OC1=CN=NCC1 S11490 [0,0,0,0,0,0|2,0,1]=3 23 B7R1.3 S=C1CCCCC1 N16924 [0,0,0,0,0,0|0,1,2]=3 24 B7R1.3 SC1=NN=CC=C1 AT13031 [0,0,0,0,0,0|2,1,1]=4 25 B7R1.3 [15NH2]C1=CC=CC=C1 41405 [0,0,0,0,0,0|1,0,3]=4 26 B7R1.3 [2H]C1=CC=CC=C1 D98570 [0,0,0,0,0,0|1,0,3]=4 27 B7R1.3 [2H]C1=CC=NC=C1 D98795 [0,0,0,0,0,0|2,0,2]=4 28 B7R1.3 [2H]C1=NC=CC=C1 D98277 [0,0,0,0,0,0|2,0,2]=4 29 B6R1.1 C1=COCCO1 T71041 [1,0,0,0,0,0|2,0,0]=3 30 B6R1.1 C1CCNCC1 S11730 [1,0,0,0,0,0|1,0,2]=4 31 B6R1.1 C1CCONC1 P10408 [1,0,0,0,0,0|2,0,1]=4 32 B6R1.1 C1CNCOC1 C72764 [1,0,0,0,0,0|2,0,1]=4 33 B8R1.2 CO[C@@H]1C=CCCC1 D91600 [0,1,0,0,0,0|0,0,2]=3 34 B8R1.2 OCC1=CCCCO1 S11090 [0,1,0,0,0,0|1,0,2]=4 35 B8R1.3 C=C1CCC(=O)CC1 57377 [0,1,0,0,0,0|0,0,3]=4 36 B8R1.3 C[C@H]1CNC(=O)CO1 AT13719 [0,1,0,0,0,0|2,0,1]=4 37 B8R1.3 C[C@H]1CNC(=O)CO1 AT13722 [0,1,0,0,0,0|2,0,1]=4 38 B8R1.3 NC1=NNC(=O)C=C1 AT17777 [0,1,0,0,0,0|2,0,1]=4 39 B8R1.3 N[C@H]1CCC(=O)NC1 70845 [0,1,0,0,0,0|1,0,1]=3 40 B8R1.3 O=C1C=CC(=O)N=N1 83325 [0,1,0,0,0,0|2,0,1]=4 41 B8R1.3 O=C1C=CC(F)=NN1 AT24740 [0,1,0,0,0,0|2,0,1]=4 42 B8R1.3 O=C1CCC(=O)NN1 D87745 [0,1,0,0,0,0|2,0,1]=4 43 B8R1.3 O=C1CCC(Br)CC1 C77503 [0,1,0,0,0,0|0,0,2]=3 44 B8R1.4 CN1CCC=C(Br)C1 S11379 [0,1,0,0,0,0|2,0,1]=4 45 B8R1.4 CN1CCCC(=O)C1 C14007 [0,1,0,0,0,0|1,0,1]=3 46 B8R1.4 C[C@H]1CC(=O)C=CO1 F50263 [0,1,0,0,0,0|1,0,0]=2 47 B8R1.4 C[C@H]1CC(=O)CCN1 W10112 [0,1,0,0,0,0|1,0,2]=4 48 B8R1.4 C[C@H]1CCCC(=O)C1 90784 [0,1,0,0,0,0|0,0,2]=3 49 B8R1.4 C[C@H]1CCCC(=O)N1 90463 [0,1,0,0,0,0|1,0,1]=3 50 B8R1.4 C[C@H]1CNCC(=O)N1 P13905 [0,1,0,0,0,0|2,0,1]=4 51 B8R1.4 N[C@@H]1COCC(=O)C1 F51972 [0,1,0,0,0,0|1,0,1]=3 52 B8R1.4 O=C1C=C(Cl)CCC1 D86029 [0,1,0,0,0,0|0,0,0]=1 53 B8R1.4 O=C1C=C(S)NC=N1 FD7370 [0,1,0,0,0,0|2,0,1]=4 54 B8R1.4 O=C1C=CNC(=O)O1 C15625 [0,1,0,0,0,0|2,0,1]=4 55 B8R1.4 O=C1CCC[C@H](O)C1 P16037 [0,1,0,0,0,0|0,0,2]=3 56 B8R1.4 O=C1CSCC(=O)N1 AT12015 [0,1,0,0,0,0|2,0,0]=3 57 B8R1.4 O=C1C[C@@H](F)CCN1 P19310 [0,1,0,0,0,0|1,0,1]=3 58 B8R1.4 O=C1NCNC(=O)N1 T72202 [0,1,0,0,0,0|3,0,0]=4 59 B8R1.5 C=C1CCCNC1=O D80229 [0,1,0,0,0,0|1,0,1]=3 60 B8R1.5 CC1=CC=NNC1=O 20227 [0,1,0,0,0,0|2,0,1]=4 61 B8R1.5 CN1CCCCC1=O C16744 [0,1,0,0,0,0|1,0,1]=3 62 B8R1.5 CN1CCSCC1=O AT12016 [0,1,0,0,0,0|2,0,1]=4 63 B8R1.5 C[C@H]1C=NC=CC1=S AT18149 [0,1,0,0,0,0|1,1,1]=4 64 B8R1.5 C[C@H]1CCNCC1=O P13522 [0,1,0,0,0,0|1,0,1]=3 65 B8R1.5 C[C@H]1CCOCC1=O F53480 [0,1,0,0,0,0|1,0,1]=3 66 B8R1.5 N[C@H]1CCCNC1=O 51548 [0,1,0,0,0,0|1,0,1]=3 67 B8R1.5 O=C1CCCC=C1I 62778 [0,1,0,0,0,0|0,0,0]=1 68 B8R1.5 O=C1CCNC[C@@H]1Br F13559 [0,1,0,0,0,0|1,0,2]=4 69 B8R1.5 O=C1CCNC[C@@H]1Br F13560 [0,1,0,0,0,0|1,0,2]=4 70 B8R1.5 O=C1CCNC[C@@H]1F P11685 [0,1,0,0,0,0|1,0,2]=4 71 B8R1.5 O=C1NC=NC=C1Cl P12334 [0,1,0,0,0,0|2,0,1]=4 72 B8R1.5 O=C1NC=NC=C1I P13009 [0,1,0,0,0,0|2,0,1]=4 73 B8R1.5 O=C1NCCNC1=O AT12017 [0,1,0,0,0,0|2,0,0]=3 74 B8R1.5 O=C1OCCC=C1Br AC2797 [0,1,0,0,0,0|1,0,0]=2 75 B8R1.72 N=S1(=O)CCCCC1 AT11345 [0,1,0,0,0,0|1,0,2]=4 76 B6R0.1 C=C[C@@H](C)CCC T72328 [0,0,1,0,0,0|1,0,1]=3 77 B6R0.1 CCC(=O)N=C=S AT25941 [0,0,1,0,0,0|2,0,1]=4 78 B6R0.1 CCNC(=O)OC C16084 [0,0,1,0,0,0|2,0,1]=4 79 B6R0.1 COCC(=O)CCl D85993 [0,0,1,0,0,0|2,0,1]=4 80 B6R0.1 COCC(=O)OC F53343 [0,0,1,0,0,0|2,0,1]=4 81 B6R0.1 CONC(=O)CCl AT14830 [0,0,1,0,0,0|3,0,0]=4 82 B6R0.1 O=C(CCCl)NO AC8818 [0,0,1,0,0,0|3,0,0]=4 83 B6R0.4 C=C(C)CCCO 71061 [0,0,1,0,0,0|2,0,0]=3 84 B6R0.4 C=C\C=C/C(=O)O C74528 [0,0,1,0,0,0|1,0,2]=4 85 B6R0.4 C=C\C=C\C(=O)O 35918 [0,0,1,0,0,0|1,0,2]=4 86 B6R0.4 CCNCC(=O)O T72729 [0,0,1,0,0,0|2,0,1]=4 87 B6R0.4 CCONC(C)=O AT24904 [0,0,1,0,0,0|2,0,0]=3 88 B6R0.4 CNCCC(N)=O C78256 [0,0,1,0,0,0|2,0,1]=4 89 B6R0.4 COCOC(C)=O D72003 [0,0,1,0,0,0|2,0,1]=4 90 B6R0.4 NC(=O)CCCO AT20755 [0,0,1,0,0,0|2,0,0]=3 91 B6R0.4 NCCCC(=O)O T70552 [0,0,1,0,0,0|2,0,0]=3 92 B6R0.4 NCCCC(N)=O AC5898 [0,0,1,0,0,0|2,0,0]=3 93 B6R0.4 NOCCC(=O)O AT14539 [0,0,1,0,0,0|3,0,0]=4 94 B6R0.4 O=C(Cl)OCCF AT25498 [0,0,1,0,0,0|3,0,0]=4 95 B6R0.4 O=[N+]([O-])CCCO A12344 [0,0,1,0,0,0|3,0,0]=4 96 B6R0.6 C=CCCCC=C T72268 [0,0,1,0,0,0|1,0,0]=2 97 B6R0.6 C=CCSCCN AT25545 [0,0,1,0,0,0|2,0,1]=4 98 B6R0.6 CCO\C=C\C=O F18326 [0,0,1,0,0,0|1,0,0]=2 99 B6R0.6 C\C=C/CCCCl T71143 [0,0,1,0,0,0|2,0,1]=4 100 B6R0.6 O=CNCCCO AC9004 [0,0,1,0,0,0|2,0,1]=4 101 B6R0.6 O=C\C=C\C=C\[O-] 98104 [0,0,1,0,0,0|1,0,2]=4 102 B8R2.34 C1=CC2CC1CN2 F13786 [0,0,0,1,0,0|2,0,1]=4 103 B8R2.34 C1=C[C@@H]2CN[C@H]1C2 83547 [0,0,0,1,0,0|2,0,1]=4 104 B8R2.34 C1=C[C@@H]2CN[C@H]1C2 83549 [0,0,0,1,0,0|2,0,1]=4 105 B8R2.38 O=C1CC[C@@H]2C[C@H]12 97893 [0,0,0,1,0,0|0,0,2]=3 106 B8R2.38 O=C1NC[C@@H]2C[C@H]12 H11212 [0,0,0,1,0,0|1,0,1]=3 107 B6R1.2 BrC1=CC=NS1 AT21099 [0,0,0,0,1,0|3,0,0]=4 108 B6R1.2 CC1=NSC=C1 AC6637 [0,0,0,0,1,0|3,0,0]=4 109 B6R1.2 ClC1=NSC=C1 F19768 [0,0,0,0,1,0|3,0,0]=4 110 B6R1.2 FC1CCCC1 T71800 [0,0,0,0,1,0|1,0,2]=4 111 B6R1.2 N=C1NCCN1 AT25110 [0,0,0,0,1,0|3,0,0]=4 112 B6R1.2 NC1=CC=CS1 44128 [0,0,0,0,1,0|2,0,1]=4 113 B6R1.2 NC1=CC=CS1 F10359 [0,0,0,0,1,0|2,0,1]=4 114 B6R1.2 NC1=CC=NS1 W16800 [0,0,0,0,1,0|3,0,0]=4 115 B6R1.2 O=C1CCON1 A11072 [0,0,0,0,1,0|2,0,0]=3 116 B6R1.2 O=C1CNCN1 C15062 [0,0,0,0,1,0|2,0,0]=3 117 B5R0.1 C=C(C)CCC D91296 [1,0,1,0,0,0|1,0,0]=3 118 B5R0.1 C=CCC(=C)C T72918 [1,0,1,0,0,0|1,0,1]=4 119 B5R0.1 CC#CC(C)=O AC8567 [1,0,1,0,0,0|0,0,2]=4 120 B5R0.1 CC(=O)CCBr D82681 [1,0,1,0,0,0|1,0,1]=4 121 B5R0.1 CNCC(C)=O 72642 [1,0,1,0,0,0|1,0,1]=4 122 B5R0.1 CONC(C)=O AT24901 [1,0,1,0,0,0|2,0,0]=4 123 B5R0.1 C\C(I)=C/CI AC6903 [1,0,1,0,0,0|2,0,0]=4 124 B5R0.1 C\C=C/C(C)C T72834 [1,0,1,0,0,0|1,0,1]=4 125 B5R0.1 C\C=C\[N+](=O)[O-] AT20719 [1,0,1,0,0,0|2,0,0]=4 126 B5R0.1 NCCC(=O)O T70551 [1,0,1,0,0,0|2,0,0]=4 127 B5R0.1 NCCC(N)=O AC6190 [1,0,1,0,0,0|2,0,0]=4 128 B5R0.1 [2H]C(=O)OCC D98566 [1,0,1,0,0,0|2,0,0]=4 129 B5R0.2 C=CCCC#N C16042 [1,0,1,0,0,0|1,0,1]=4 130 B5R0.2 C=CCCON S12259 [1,0,1,0,0,0|2,0,0]=4 131 B5R0.2 C\C=C\CCN AT22492 [1,0,1,0,0,0|1,0,1]=4 132 B5R0.3 C=C(CC)CC D90428 [1,0,1,0,0,0|1,0,1]=4 133 B5R0.3 CCC(=O)CCl AT22640 [1,0,1,0,0,0|1,0,1]=4 134 B7R0.2 C=CC(=O)C=C(C)C F12626 [0,1,1,0,0,0|0,0,2]=4 135 B7R0.2 CC(C)CC(=O)CN F50535 [0,1,1,0,0,0|1,0,1]=4 136 B7R0.2 CC\C(C)=C/C(=O)O 64163 [0,1,1,0,0,0|2,0,0]=4 137 B7R0.2 COC(=O)C[C@H](C)N N13255 [0,1,1,0,0,0|1,0,1]=4 138 B7R0.3 CCC(=O)OCOC D72002 [0,1,1,0,0,0|1,0,1]=4 139 B7R0.3 CCCNC(=O)CN C78397 [0,1,1,0,0,0|1,0,1]=4 140 B7R0.3 COC(=O)CCCN 32601 [0,1,1,0,0,0|1,0,1]=4 141 B7R0.3 COC(=O)\C=C\C=O D90666 [0,1,1,0,0,0|1,0,1]=4 142 B7R0.3 COC(=O)\C=C\CO AT12483 [0,1,1,0,0,0|1,0,0]=3 143 B7R0.3 C\C=C\C[C@@H](C)CC T72110 [0,1,1,0,0,0|1,0,1]=4 144 B7R0.5 CCCC(=O)C(N)=O AC9508 [0,1,1,0,0,0|1,0,0]=3 145 B7R0.7 C=CCC(=O)CC=C 89933 [0,1,1,0,0,0|0,0,2]=4 146 B7R0.7 CCOC(=O)C=[N+]=[N-] D87242 [0,1,1,0,0,0|2,0,0]=4 147 B7R0.7 CCOC(=O)CCN F19878 [0,1,1,0,0,0|1,0,1]=4 148 B7R0.7 CCOC(=O)\C=C\[O-] P10114 [0,1,1,0,0,0|1,0,0]=3 149 B7R0.10 C=C(CC)C(=O)OC 82635 [0,1,1,0,0,0|1,0,1]=4 150 B7R0.10 COC(=O)\C(C)=C\Br 74621 [0,1,1,0,0,0|2,0,0]=4 151 B7R0.10 COC(=O)\C(C)=C\O 91385 [0,1,1,0,0,0|2,0,0]=4 152 B7R0.11 C=CC(C)(C)CCC T70796 [0,1,1,0,0,0|1,0,1]=4 153 B7R0.4 C=C(C)CC\C=C\C T72820 [0,1,1,0,0,0|1,0,1]=4 154 B7R0.4 C=CCOCC(=O)O D77063 [0,1,1,0,0,0|1,0,1]=4 155 B7R0.4 CC(=O)NCCCN AR2174 [0,1,1,0,0,0|1,0,1]=4 156 B7R0.4 CCNCCC(N)=O A11725 [0,1,1,0,0,0|1,0,1]=4 157 B7R0.4 CC\C=C/CC(=O)O F18341 [0,1,1,0,0,0|1,0,0]=3 158 B7R0.4 CNCCCC(N)=O AB11605 [0,1,1,0,0,0|1,0,1]=4 159 B7R0.4 CNCCNC(C)=O C77870 [0,1,1,0,0,0|1,0,1]=4 160 B7R0.4 COC\C=C\C(=O)O P17072 [0,1,1,0,0,0|1,0,0]=3 161 B7R0.4 NC(=O)CCCCBr AC9465 [0,1,1,0,0,0|1,0,1]=4 162 B7R0.4 NC(=O)CCCCCl AC5718 [0,1,1,0,0,0|1,0,1]=4 163 B7R0.4 NCCCCC(N)=O AC3685 [0,1,1,0,0,0|1,0,1]=4 164 B7R0.4 NCCSCC(=O)O AT25571 [0,1,1,0,0,0|2,0,0]=4 165 B7R0.4 O=C(Cl)COCCCl AT18762 [0,1,1,0,0,0|2,0,0]=4 166 B7R0.6 C=C(Br)CCC(=O)O C11119 [0,1,1,0,0,0|1,0,1]=4 167 B7R0.6 CC(C)\C=C\[N+](=O)[O-] 72146 [0,1,1,0,0,0|2,0,0]=4 168 B7R0.8 CC\C=C/C(C)(C)C T71234 [0,1,1,0,0,0|1,0,1]=4 169 B7R0.1 C=CCCCCCCl I11994 [0,1,1,0,0,0|1,0,1]=4 170 B7R0.1 C=CCCCCCO F14745 [0,1,1,0,0,0|0,0,2]=4 171 B7R0.1 C=CC\C=C\CCC T72633 [0,1,1,0,0,0|1,0,0]=3 172 B7R0.1 C\C=C/CCCCC T72919 [0,1,1,0,0,0|1,0,1]=4 173 B7R0.1 O=CCCCCCCl 24359 [0,1,1,0,0,0|0,0,2]=4 174 B7R1.2 CN1CCC(=O)C1 64219 [0,1,0,0,1,0|1,0,1]=4 175 B7R1.2 C[C@@H]1CNC(=O)C1 P15842 [0,1,0,0,1,0|1,0,0]=3 176 B7R1.2 C[C@@H]1COC(=O)C1 AT23255 [0,1,0,0,1,0|1,0,0]=3 177 B7R1.2 C[C@H]1CNC(=O)O1 C13778 [0,1,0,0,1,0|2,0,0]=4 178 B7R1.2 C[C@H]1COC(=O)N1 C77658 [0,1,0,0,1,0|2,0,0]=4 179 B7R1.2 C[C@H]1NCC(=O)N1 F31285 [0,1,0,0,1,0|2,0,0]=4 180 B7R1.2 C[C@H]1NCC(=O)N1 F31286 [0,1,0,0,1,0|2,0,0]=4 181 B7R1.2 N[C@H]1CCC(=O)C1 C14417 [0,1,0,0,1,0|0,0,1]=3 182 B7R1.2 O=C1C=C(O)CN1 F14818 [0,1,0,0,1,0|1,0,0]=3 183 B7R1.2 O=C1C=C[C@@H](O)C1 86326 [0,1,0,0,1,0|0,0,0]=2 184 B7R1.2 O=C1CCC(=S)N1 N13285 [0,1,0,0,1,0|1,0,0]=3 185 B7R1.2 O=C1CC[C@H](F)C1 P11910 [0,1,0,0,1,0|0,0,1]=3 186 B7R1.2 O=C1CNC(=O)S1 C15052 [0,1,0,0,1,0|2,0,0]=4 187 B7R1.2 O=C1CN[C@@H](S)S1 T72832 [0,1,0,0,1,0|2,0,0]=4 188 B7R1.2 O=C1C[C@H](S)CN1 39278 [0,1,0,0,1,0|1,0,0]=3 189 B7R1.2 O=C1NC(=S)CS1 D74680 [0,1,0,0,1,0|2,0,0]=4 190 B7R1.2 S=C1CCC(=S)N1 N13284 [0,1,0,0,1,0|1,1,0]=4 191 B7R1.4 CC1=C(C)CNC1 AT22666 [0,1,0,0,1,0|2,0,0]=4 192 B7R1.4 C[C@H]1CCNC1=O C74322 [0,1,0,0,1,0|1,0,0]=3 193 B7R1.4 C[C@H]1CNCC1=O F13737 [0,1,0,0,1,0|1,0,1]=4 194 B7R1.4 C[C@H]1COCC1=O AT13358 [0,1,0,0,1,0|1,0,1]=4 195 B7R1.4 N[C@H]1CCOC1=O S11138 [0,1,0,0,1,0|1,0,0]=3 196 B7R1.4 O=C1CCCC1=O AC2232 [0,1,0,0,1,0|0,0,0]=2 197 B9R1.5 CN1CCNCCC1=O AT20060 [0,1,0,0,0,1|1,0,1]=4 198 B9R1.5 C[C@@H]1OCCCNC1=O 73063 [0,1,0,0,0,1|1,0,1]=4 199 B9R1.5 N[C@H]1CSCCNC1=O C16734 [0,1,0,0,0,1|1,0,1]=4 200 B9R1.5 O=C1CCCCC[C@@H]1Br AT20921 [0,1,0,0,0,1|0,0,2]=4 201 B9R1.5 O=C1CCCCC[C@@H]1Cl T71318 [0,1,0,0,0,1|0,0,2]=4 202 B9R1.5 O=C1CCNCC[C@@H]1Br C90706 [0,1,0,0,0,1|0,0,2]=4 203 B9R1.5 O=C1NCCCC[C@@H]1Br F50955 [0,1,0,0,0,1|0,0,2]=4 204 B9R1.48 CN1CCCNC(=O)C1 AT20054 [0,1,0,0,0,1|1,0,1]=4 205 B9R1.49 O=C1CCNC(=O)CC1 C91705 [0,1,0,0,0,1|1,0,1]=4 206 B9R1.1 CNC1CCC(=O)CC1 AB9600 [0,2,0,0,0,0|0,0,2]=4 207 B9R1.1 O=C1CCC(CBr)CC1 C77512 [0,2,0,0,0,0|0,0,2]=4 208 B9R1.2 COC1=CC(=O)CCC1 63648 [0,2,0,0,0,0|0,0,0]=2 209 B9R1.6 O=C(O)C1=CCCNC1 C10916 [0,2,0,0,0,0|1,0,1]=4 210 B9R1.6 O=C(O)C1=CCCNC1 F13202 [0,2,0,0,0,0|1,0,1]=4 211 B9R1.6 O=C(O)C1=CCCOC1 SC1721 [0,2,0,0,0,0|1,0,1]=4 212 B9R1.15 N#CC1=C(Cl)CCCC1 57508 [0,2,0,0,0,0|1,0,1]=4 213 B9R1.15 N#C[C@H]1CCNCC1=O AB9876 [0,2,0,0,0,0|1,0,1]=4 214 B9R1.15 O=C1CCCC[C@@H]1CO F18113 [0,2,0,0,0,0|0,0,2]=4 215 B9R1.15 O=C[C@@H]1CCCCC1=O AT23975 [0,2,0,0,0,0|0,0,2]=4 216 B9R1.10 CC1(C)CCC(=O)NC1 55120 [0,2,0,0,0,0|1,0,1]=4 217 B9R1.10 C[C@]1(O)CCC(=O)NC1 N10620 [0,2,0,0,0,0|1,0,1]=4 218 B9R1.69 CN1CC[C@H](N)CC1=O P10312 [0,2,0,0,0,0|1,0,1]=4 219 B9R1.69 C[C@@H]1SCC(=O)NC1=O AT25440 [0,2,0,0,0,0|2,0,0]=4 220 B9R1.69 C[C@H]1CNC(=O)CC1=O 27246 [0,2,0,0,0,0|1,0,1]=4 221 B9R1.69 N[C@H]1CCC(=O)NC1=O AC9237 [0,2,0,0,0,0|1,0,0]=3 222 B9R1.69 O=C1C[C@@H](O)[C@@H](O)CN1 81439 [0,2,0,0,0,0|1,0,1]=4 223 B9R1.3 CN1C(=O)CCNC1=O D72759 [0,2,0,0,0,0|2,0,0]=4 224 B9R1.3 CN1CCC[C@H](N)C1=O P11331 [0,2,0,0,0,0|1,0,1]=4 225 B9R1.3 O=C1CCCC(O)=C1F P17611 [0,2,0,0,0,0|0,0,0]=2 226 B9R1.34 CC1CC(=O)NC(=O)C1 D73894 [0,2,0,0,0,0|1,0,0]=3 227 B9R1.66 CC1(C)CC=CC(=O)C1 F12457 [0,2,0,0,0,0|0,0,0]=2 228 B9R1.66 O=C1CC(F)(F)CCN1 P21020 [0,2,0,0,0,0|1,0,1]=4 229 B9R1.66 O=C1CCCS(=O)(=O)C1 AT13044 [0,2,0,0,0,0|1,0,1]=4 230 B7R1.22 CCC(=O)C1CC1 P11281 [0,0,1,1,0,0|0,0,2]=4 231 B7R1.22 NCC(=O)C1CC1 C77542 [0,0,1,1,0,0|1,0,1]=4 232 B7R1.12 NC(=O)[C@@H]1C[C@@H]1F CS3444 [0,0,1,1,0,0|2,0,0]=4 233 B7R1.12 NC(=O)[C@H]1C[C@@H]1F CS3447 [0,0,1,1,0,0|2,0,0]=4 234 B7R1.20 CC(=O)CC1CC1 N12620 [0,0,1,1,0,0|0,0,2]=4 235 B9R2.7 O=C1C[C@@H]2C=CC[C@H]12 F12960 [0,0,0,1,0,1|0,0,2]=4 236 B9R2.7 O=C1N[C@H]2CCC[C@@H]12 F12974 [0,0,0,1,0,1|0,0,2]=4 237 B9R2.68 C1=C[C@H]2CC[C@@H](C1)C2 T71364 [0,0,0,1,0,1|1,0,1]=4 238 B9R2.39 CC1=CC2CCC1C2 75573 [0,1,0,1,0,0|1,0,1]=4 239 B9R2.39 CC1CC2C=CC1C2 A10533 [0,1,0,1,0,0|1,0,1]=4 240 B9R2.39 O=C1OC2CCC1C2 P17974 [0,1,0,1,0,0|1,0,1]=4 241 B5R1.1 C1=NCCO1 F18129 [1,0,0,0,1,0|2,0,0]=4 242 B5R1.1 C1=NNCC1 F12428 [1,0,0,0,1,0|2,0,0]=4 243 B5R1.1 C1CNOC1 F14141 [1,0,0,0,1,0|2,0,0]=4 244 B5R1.2 O=C1CNC1 D87722 [0,0,0,0,2,0|1,0,0]=3