0 B11R1.29 CCCCC(=O)C1=CC=CS1 SBB048219 [0,0,0,0,0,0|0,1,0]=1 1 B11R1.29 CCCNC(=O)C1=CNN=C1 SBB116139 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.29 NCCNC(=O)C1=NNC=C1 SBB033436 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.29 O=C(NCCO)C1=CC=NN1 SBB000121 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.11 CCCC(N)C1=CC=CS1 SBB048342 [1,0,0,0,0,0|1,1,1]=4 5 B10R1.11 CCOC(=O)C1=CC=CN1 SBB053894 [1,0,0,0,0,0|2,0,0]=3 6 B10R1.11 CCOC(=O)C1=CC=CO1 SBB067087 [1,0,0,0,0,0|1,0,0]=2 7 B10R1.11 CCOC(=O)C1=CC=CS1 SBB058448 [1,0,0,0,0,0|1,1,0]=3 8 B10R1.11 CCOC(=O)C1=CC=NN1 SBB017331 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.11 CCOC(=O)C1=COC=N1 SBB053931 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.11 CCOC(=O)C1=CSC=C1 SBB066578 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.11 CCOC(=O)C1=CSC=N1 SBB018687 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.11 N#CCC(=O)C1=CC=CO1 SBB085884 [1,0,0,0,0,0|1,0,1]=3 13 B10R1.11 N#CCC(=O)C1=CC=CS1 SBB005814 [1,0,0,0,0,0|1,1,1]=4 14 B10R1.21 CCCCNC1=NC=CS1 SBB023788 [1,0,0,0,0,0|2,1,0]=4 15 B10R1.21 CNCCCC1=CC=CO1 SBB301605 [1,0,0,0,0,0|1,0,1]=3 16 B10R1.21 NCCSCC1=CC=CO1 SBB010394 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.21 OCCNCC1=CC=CO1 SBB017330 [1,0,0,0,0,0|2,0,1]=4 18 B12R1.29 CC1=CC=C(C(=O)CSC#N)O1 SBB072235 [0,1,0,0,0,0|2,0,1]=4 19 B12R1.29 CCCNC(=O)C1=CC=C(Br)O1 SBB047048 [0,1,0,0,0,0|1,0,0]=2 20 B12R1.29 CCCNC(=O)C1=CC=C(Br)S1 SBB047063 [0,1,0,0,0,0|1,1,0]=3 21 B12R1.35 CCCCCC(=O)C1=CC=CO1 SBB008342 [0,1,0,0,0,0|0,0,0]=1 22 B12R1.35 CCCCCC(=O)C1=CC=CS1 SBB061352 [0,1,0,0,0,0|0,1,0]=2 23 B12R1.35 NCCCNC(=O)C1=CC=CO1 SBB301583 [0,1,0,0,0,0|1,0,0]=2 24 B12R1.35 O=C(CCCCCl)C1=CC=CS1 SBB013607 [0,1,0,0,0,0|0,1,0]=2 25 B12R1.54 CN(C)CCC(=O)C1=CC=CS1 SBB090070 [0,1,0,0,0,0|1,1,0]=3 26 B12R1.54 CN(C)\C=C/C(=O)C1=CC=CO1 SBB021397 [0,1,0,0,0,0|1,0,2]=4 27 B12R1.54 O=C(O)CCC(=O)C1=CC=CO1 SBB010490 [0,1,0,0,0,0|1,0,1]=3 28 B12R1.54 O=C(O)CCC(=O)C1=CC=CS1 SBB006959 [0,1,0,0,0,0|1,1,1]=4 29 B12R1.55 CCOC(=O)C(=O)C1=CC=CS1 SBB059548 [0,1,0,0,0,0|1,1,1]=4 30 B12R1.460 CCCOC(=O)C1=C(N)SC=C1 SBB030263 [0,1,0,0,0,0|3,0,0]=4 31 B12R2.2 C1=CSC(N2CCCCC2)=C1 SBB059081 [0,0,0,1,0,0|2,1,0]=4 32 B12R1.30 CCCCC(=O)C1=CC=CC=C1 SBB064862 [0,0,0,0,0,1|1,0,0]=2 33 B12R1.30 CCCCC(O)C1=CC=CC=C1 SBB063387 [0,0,0,0,0,1|1,0,2]=4 34 B12R1.30 CCCNC(=O)C1=CC=CC=C1 SBB058554 [0,0,0,0,0,1|2,0,0]=3 35 B12R1.30 CCCOC(=O)C1=CC=CC=C1 SBB061241 [0,0,0,0,0,1|2,0,0]=3 36 B12R1.30 CCCOC(=O)C1=CN=CC=C1 SBB061278 [0,0,0,0,0,1|2,0,0]=3 37 B12R1.30 N#CCCC(=O)C1=CC=CC=C1 SBB087363 [0,0,0,0,0,1|2,0,1]=4 38 B12R1.30 NCCNC(=O)C1=CC=NC=C1 SBB044912 [0,0,0,0,0,1|3,0,0]=4 39 B12R1.30 O=C(NCCCl)C1=CC=CC=C1 SBB008196 [0,0,0,0,0,1|3,0,0]=4 40 B12R1.30 O=C(NCCO)C1=CC=NC=C1 SBB055661 [0,0,0,0,0,1|3,0,0]=4 41 B12R1.53 O=C(CCCCl)NC1=NC=CS1 SBB038269 [0,0,0,0,0,1|2,1,0]=4 42 B9R1.11 CCC(=O)C1=CC=CS1 SBB028613 [2,0,0,0,0,0|0,1,0]=3 43 B9R1.11 CCC(=O)C1=NC=CS1 SBB109622 [2,0,0,0,0,0|1,1,0]=4 44 B9R1.11 CNC(=O)C1=CC=CS1 SBB086206 [2,0,0,0,0,0|1,1,0]=4 45 B9R1.11 COC(=O)C1=CC=CN1 SBB013762 [2,0,0,0,0,0|2,0,0]=4 46 B9R1.11 COC(=O)C1=CC=CO1 SBB059585 [2,0,0,0,0,0|1,0,0]=3 47 B9R1.11 COC(=O)C1=CC=CS1 SBB058305 [2,0,0,0,0,0|1,1,0]=4 48 B9R1.11 COC(=O)C1=CC=NO1 SBB019121 [2,0,0,0,0,0|2,0,0]=4 49 B9R1.11 NNC(=O)C1=CC=CO1 SBB028222 [2,0,0,0,0,0|2,0,0]=4 50 B9R1.11 O=C(CBr)C1=CC=CO1 SBB010227 [2,0,0,0,0,0|1,0,0]=3 51 B9R1.11 O=C(CBr)C1=CC=CS1 SBB005904 [2,0,0,0,0,0|1,1,0]=4 52 B9R1.11 O=C(CCl)C1=CC=CS1 SBB051673 [2,0,0,0,0,0|1,1,0]=4 53 B9R1.12 CCNCC1=CC=CO1 SBB047492 [2,0,0,0,0,0|1,0,0]=3 54 B9R1.12 CSSCC1=CC=CO1 SBB057326 [2,0,0,0,0,0|2,0,0]=4 55 B9R1.12 NCCCC1=CC=CO1 SBB047796 [2,0,0,0,0,0|1,0,0]=3 56 B11R0.140 C\C=C\C=C\C(=O)OCCCC SBB007991 [0,1,1,0,0,0|1,0,0]=3 57 B11R1.15 CCNC(=O)C1=CC=C(Br)O1 SBB047049 [1,1,0,0,0,0|1,0,0]=3 58 B11R1.15 CCNC(=O)C1=CC=C(Br)S1 SBB047069 [1,1,0,0,0,0|1,1,0]=4 59 B11R1.15 CCOC(=O)C1=CC=C(Br)S1 SBB068484 [1,1,0,0,0,0|1,1,0]=4 60 B11R1.15 CCOC(=O)C1=CC=C(Cl)S1 SBB068483 [1,1,0,0,0,0|1,1,0]=4 61 B11R1.15 CCOC(=O)C1=CC=C(F)S1 SBB073634 [1,1,0,0,0,0|1,1,0]=4 62 B11R1.15 CCOC(=O)C1=CN=C(N)O1 SBB053929 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.77 CC(=O)CC(=O)C1=CC=CS1 SBB017377 [1,1,0,0,0,0|0,1,1]=4 64 B11R1.199 CCOC(=O)C1=C(C)N=CO1 SBB013591 [1,1,0,0,0,0|2,0,0]=4 65 B11R1.25 CNC(C)CCC1=CC=CO1 SBB007121 [1,1,0,0,0,0|1,0,1]=4 66 B11R1.172 CC(O)COCC1=CC=CO1 SBB017123 [1,1,0,0,0,0|1,0,1]=4 67 B13R1.11 CCC(C)NC(=O)C1=CC=CC=C1 SBB058214 [0,1,0,0,0,1|2,0,0]=4 68 B13R1.17 CC1=CC=C(C(=O)CCCCl)C=C1 SBB005845 [0,1,0,0,0,1|2,0,0]=4 69 B13R1.17 CCCCC(=O)C1=CC=C(Br)C=C1 SBB065070 [0,1,0,0,0,1|1,0,0]=3 70 B13R1.17 CCCCC(=O)C1=CC=C(Cl)C=C1 SBB005774 [0,1,0,0,0,1|1,0,0]=3 71 B13R1.17 CCCCC(=O)C1=CC=C(F)C=C1 SBB005843 [0,1,0,0,0,1|1,0,0]=3 72 B13R1.17 CCCCC(=O)C1=CC=C(O)C=C1 SBB063295 [0,1,0,0,0,1|1,0,0]=3 73 B13R1.17 CCCNC(=O)C1=CC=C(N)C=C1 SBB046817 [0,1,0,0,0,1|2,0,0]=4 74 B13R1.17 CCCOC(=O)C1=CC=C(N)C=C1 SBB015273 [0,1,0,0,0,1|2,0,0]=4 75 B13R1.17 O=C(CCCCl)C1=CC=C(Cl)C=C1 SBB058352 [0,1,0,0,0,1|2,0,0]=4 76 B13R1.17 O=C(CCCCl)C1=CC=C(F)C=C1 SBB003536 [0,1,0,0,0,1|2,0,0]=4 77 B13R1.17 OC1=CC=C(C(=O)OCCC)C=C1 SBB015060 [0,1,0,0,0,1|2,0,0]=4 78 B13R1.18 CCCNC(=O)C1=CC(N)=CC=C1 SBB080268 [0,1,0,0,0,1|2,0,0]=4 79 B13R1.24 CCCCCC(=O)C1=CC=CC=C1 SBB058875 [0,1,0,0,0,1|1,0,0]=3 80 B13R1.24 CCCCOC(=O)C1=CC=CC=C1 SBB060566 [0,1,0,0,0,1|1,0,0]=3 81 B13R1.24 NCCCNC(=O)C1=NC=CC=C1 SBB301291 [0,1,0,0,0,1|2,0,0]=4 82 B13R1.45 CC(=O)CCC(=O)C1=CC=CC=C1 SBB071424 [0,1,0,0,0,1|1,0,1]=4 83 B13R1.45 CN(C)CCC(=O)C1=CC=CC=C1 SBB068823 [0,1,0,0,0,1|2,0,0]=4 84 B13R1.45 [NH+](C)(C)CCC(=O)C1=CC=CC=C1 SBB057905 [0,1,0,0,0,1|2,0,0]=4 85 B13R1.674 CCCNC(=O)C1=CC=CC=C1N SBB079892 [0,1,0,0,0,1|2,0,0]=4 86 B13R1.33 CCOC(=O)CC(=O)C1=CC=CO1 SBB032273 [0,2,0,0,0,0|0,0,1]=3 87 B13R1.339 O=C(CC(=O)C(F)F)C1=CC=CO1 SBB020683 [0,2,0,0,0,0|1,0,1]=4 88 B13R1.162 COC(=O)CNC(=O)C1=CC=CO1 SBB057149 [0,2,0,0,0,0|1,0,1]=4 89 B11R1.214 CCCCC1=CC=C(C=O)S1 SBB079517 [0,0,1,1,0,0|0,1,1]=4 90 B11R1.605 CCCC1=C(O)C=CC=C1O SBB055239 [0,0,1,1,0,0|0,0,2]=4 91 B11R2.2 C1=COC(C2=NCCN2)=C1 SBB017911 [1,0,0,1,0,0|2,0,0]=4 92 B11R2.2 C1=COC(C2CCCN2)=C1 SBB025605 [1,0,0,1,0,0|1,0,1]=4 93 B11R2.106 O=C1CCCC2=C1C=CS2 SBB038712 [1,0,0,1,0,0|2,0,0]=4 94 B13R2.3 C1=CC=C(C2=CCCCC2)C=C1 SBB061269 [0,0,0,1,0,1|2,0,0]=4 95 B13R2.371 CC1CCC(=O)C2=C1C=CC=C2 SBB008494 [0,0,0,1,0,1|1,0,0]=3 96 B13R2.18 OC1CCCCC1C2=CC=CO2 SBB072402 [0,0,0,1,0,1|0,0,2]=4 97 B13R1.44 CCCNC(=O)NC1=CC=CC=C1 SBB056566 [0,0,0,0,0,2|2,0,0]=4 98 B13R1.44 CCCOC(=O)CC1=CC=CC=C1 SBB061302 [0,0,0,0,0,2|2,0,0]=4