0 B11R1.16 CCC[C@@H](N)C1=CC=CC=C1 CS-0454208 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.16 C\C=C\C(=O)C1=CC=CC=C1 CS-0999046 [0,0,0,0,0,0|1,0,1]=2 2 B11R1.16 ClCCC(Br)C1=CC=CC=C1 CS-0156511 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.16 O=C(NCO)C1=CC=CN=C1 CS-0066962 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.15 C#CC(=O)C1=CC=CC=C1 CS-0072550 [1,0,0,0,0,0|0,0,2]=3 5 B10R1.15 CCC(=O)C1=CN=CC=C1 CS-W013351 [1,0,0,0,0,0|1,0,0]=2 6 B10R1.15 CCC(O)C1=CC=CC=C1 CS-W013334 [1,0,0,0,0,0|0,0,2]=3 7 B10R1.15 CC[C@H](N)C1=NC=CC=C1 CS-0120684 [1,0,0,0,0,0|2,0,1]=4 8 B10R1.15 C\C(=N/O)C1=CC=CC=C1 CS-0160349 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.15 O=C(CBr)C1=NC=NC=C1 CS-W006295 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.17 FCCNC1=CC=CC=C1 CS-W023117 [1,0,0,0,0,0|3,0,0]=4 11 B12R1.16 C=C=CC(=O)C1=CC=C(Br)C=C1 CS-0616894 [0,1,0,0,0,0|1,0,2]=4 12 B12R1.16 C=C=CC(=O)C1=CC=C(C)C=C1 CS-0616892 [0,1,0,0,0,0|1,0,2]=4 13 B12R1.16 C=C=CC(=O)C1=CC=C(Cl)C=C1 CS-0616893 [0,1,0,0,0,0|1,0,2]=4 14 B12R1.16 C=C=CC(=O)C1=CC=C(F)C=C1 CS-0616897 [0,1,0,0,0,0|1,0,2]=4 15 B12R1.16 CCCC(=O)C1=CC=C(O)C=C1 CS-0034666 [0,1,0,0,0,0|1,0,0]=2 16 B12R1.16 CCC[C@@H](N)C1=CC=C(Br)C=C1 CS-0884871 [0,1,0,0,0,0|2,0,1]=4 17 B12R1.16 COCC(=O)C1=CC=C(Br)N=C1 CS-0652330 [0,1,0,0,0,0|3,0,0]=4 18 B12R1.16 N#CCC(=O)C1=CC=C(N)C=C1 CS-0566923 [0,1,0,0,0,0|2,0,1]=4 19 B12R1.17 C=C=CC(=O)C1=CC=CC(Br)=C1 CS-0616898 [0,1,0,0,0,0|1,0,2]=4 20 B12R1.17 C=C=CC(=O)C1=CC=CC(C)=C1 CS-0616896 [0,1,0,0,0,0|1,0,2]=4 21 B12R1.17 C=C=CC(=O)C1=CC=CC(Cl)=C1 CS-0616904 [0,1,0,0,0,0|1,0,2]=4 22 B12R1.17 C=C=CC(=O)C1=CC=CC(F)=C1 CS-0616907 [0,1,0,0,0,0|1,0,2]=4 23 B12R1.17 CCOC(=O)C1=CC(=O)N=CN1 CS-M1611 [0,1,0,0,0,0|2,0,0]=3 24 B12R1.17 N#CCC(=O)C1=CC=CC(Br)=C1 CS-0094689 [0,1,0,0,0,0|2,0,1]=4 25 B12R1.30 CCOCC(N)C1=CC=CC=C1 CS-0069368 [0,1,0,0,0,0|1,0,1]=3 26 B12R1.30 COCCC(N)C1=CC=CC=C1 CS-0511071 [0,1,0,0,0,0|2,0,1]=4 27 B12R1.34 O=C(O[Na])C(=O)C1=CC=CC=C1 CS-0514534 [0,1,0,0,0,0|3,0,0]=4 28 B12R1.39 O=S(=O)(CCCl)C1=CC=CC=C1 CS-M0047 [0,1,0,0,0,0|3,0,0]=4 29 B12R1.107 CC(=O)CC(=O)C1=CN=CC=C1 CS-0308399 [0,1,0,0,0,0|2,0,1]=4 30 B12R1.107 CC(C)C[C@@H](N)C1=CC=CC=C1 CS-0154320 [0,1,0,0,0,0|2,0,1]=4 31 B12R1.308 C=C=CC(=O)C1=CC=CC=C1Br CS-0616895 [0,1,0,0,0,0|1,0,2]=4 32 B12R1.308 C=C=CC(=O)C1=CC=CC=C1C CS-0616913 [0,1,0,0,0,0|1,0,2]=4 33 B12R1.308 C=C=CC(=O)C1=CC=CC=C1Cl CS-0616901 [0,1,0,0,0,0|1,0,2]=4 34 B12R1.308 C=C=CC(=O)C1=CC=CC=C1F CS-0616910 [0,1,0,0,0,0|1,0,2]=4 35 B12R1.308 CCC[C@H](N)C1=CC=CC=C1C CS-0196744 [0,1,0,0,0,0|2,0,1]=4 36 B12R1.308 CCOC(=O)C1=C(C)C=CN=C1 CS-0138074 [0,1,0,0,0,0|1,0,0]=2 37 B12R1.308 CCOC(=O)C1=CC=NC=C1Cl CS-0042812 [0,1,0,0,0,0|1,0,0]=2 38 B12R1.308 O=C(CCCl)C1=CC=CC=C1F CS-0045341 [0,1,0,0,0,0|2,0,0]=3 39 B12R2.2 C1=CC=C(C2=CC=CO2)C=C1 CS-0147261 [0,0,0,1,0,0|1,0,2]=4 40 B12R2.1081 CN1CCCC2=CC=CC=C21 CS-0151091 [0,0,0,1,0,0|3,0,0]=4 41 B12R2.1081 O=C1CCCC2=C1C=NC=C2 CS-W022438 [0,0,0,1,0,0|2,0,0]=3 42 B12R2.1081 O=C1CCNC2=C1C=NC=C2 CS-0636001 [0,0,0,1,0,0|3,0,0]=4 43 B12R2.1081 O=C1CCOC2=C1C=NC=C2 CS-0255185 [0,0,0,1,0,0|3,0,0]=4 44 B12R2.1081 S=C1NCCC2=C1C=CC=C2 CS-0261447 [0,0,0,1,0,0|1,1,0]=3 45 B12R2.2028 CC1NC(=O)C2=CC=CC=C21 CS-0058508 [0,0,0,1,0,0|1,0,0]=2 46 B12R2.2028 CN1C=C(N)C2=C1C=CC=C2 CS-0693770 [0,0,0,1,0,0|3,0,0]=4 47 B12R2.2028 O=C1SC(=O)C2=CC=CC=C12 CS-0533559 [0,0,0,1,0,0|1,1,1]=4 48 B10R1.11 CCOC(=O)C1=CSN=N1 CS-0308588 [0,0,0,0,1,0|3,0,0]=4 49 B12R1.32 O=C(\C=N\O)NC1=CC=CC=C1 CS-0448494 [0,0,0,0,0,1|3,0,0]=4 50 B9R1.6 CC(=O)C1=CN=CN=C1 CS-D0295 [2,0,0,0,0,0|2,0,0]=4 51 B9R1.6 C[C@@H](Cl)C1=CC=CC=C1 CS-0851644 [2,0,0,0,0,0|1,0,1]=4 52 B9R1.6 C[C@H](Cl)C1=CC=CC=C1 CS-0852321 [2,0,0,0,0,0|1,0,1]=4 53 B9R1.6 O=C([O-])C1=CC=CC=C1 CS-0870997 [2,0,0,0,0,0|0,0,1]=3 54 B9R1.8 C=C=CC1=CC=CC=C1 CS-0594920 [2,0,0,0,0,0|0,0,2]=4 55 B11R1.7 CCS(=O)(=O)C1=CC=CC=C1 CS-0204411 [1,1,0,0,0,0|1,0,0]=3 56 B11R1.7 COS(=O)(=O)C1=CC=CC=C1 CS-0020960 [1,1,0,0,0,0|1,0,0]=3 57 B11R1.22 CC[C@@H](N)C1=CC=C(Cl)C=C1 CS-0372161 [1,1,0,0,0,0|1,0,1]=4 58 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 CS-0329629 [1,1,0,0,0,0|1,0,1]=4 59 B11R1.22 COC(=O)C1=CN=C(N)C=N1 CS-0049007 [1,1,0,0,0,0|2,0,0]=4 60 B11R1.22 NC1=CC=C(C(=O)NO)C=C1 CS-0459768 [1,1,0,0,0,0|2,0,0]=4 61 B11R1.22 NC1=CC=C(C(=O)O[K])C=C1 CS-0013318 [1,1,0,0,0,0|1,0,0]=3 62 B11R1.22 NCC(=O)C1=CC=C(I)C=C1 CS-0764716 [1,1,0,0,0,0|1,0,0]=3 63 B11R1.22 NCC(=O)C1=CC=C(O)C=C1 CS-0168493 [1,1,0,0,0,0|1,0,0]=3 64 B11R1.23 CNC(=O)C1=NC=CC(O)=C1 CS-0163817 [1,1,0,0,0,0|2,0,0]=4 65 B11R1.23 COC(=O)C1=CC(Br)=NC=N1 CS-W007184 [1,1,0,0,0,0|2,0,0]=4 66 B11R1.23 COC(=O)C1=CC(C)=CC=C1 CS-0008741 [1,1,0,0,0,0|0,0,0]=2 67 B11R1.23 COC(=O)C1=NN=CC(Cl)=C1 CS-0653812 [1,1,0,0,0,0|2,0,0]=4 68 B11R1.36 CN(N)C(=S)C1=CC=CC=C1 CS-0897241 [1,1,0,0,0,0|1,1,0]=4 69 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 CS-0745167 [1,1,0,0,0,0|1,0,1]=4 70 B11R1.36 O=S(C1=CC=CC=C1)C(Cl)Cl CS-0879747 [1,1,0,0,0,0|2,0,0]=4 71 B11R1.222 COC(C)C1=CC=CC=C1N CS-0616718 [1,1,0,0,0,0|1,0,1]=4 72 B11R1.222 NC1=CC=CC=C1C(=O)NO CS-0033806 [1,1,0,0,0,0|2,0,0]=4 73 B11R1.222 O=C(CO)C1=CC=CC=C1Cl CS-0308332 [1,1,0,0,0,0|1,0,0]=3 74 B11R1.222 O=C(O[Na])C1=CC=CC=C1O CS-2008 [1,1,0,0,0,0|1,0,0]=3 75 B11R1.1 OC\C=C\C1=CC=C(O)C=C1 CS-0255024 [1,1,0,0,0,0|2,0,0]=4 76 B11R1.28 COCCNC1=CC=CC=C1 CS-0242309 [1,1,0,0,0,0|2,0,0]=4 77 B11R1.28 ICCOCC1=CC=CC=C1 CS-0146879 [1,1,0,0,0,0|0,0,1]=3 78 B11R1.28 OCCOCC1=CC=CC=C1 CS-0896052 [1,1,0,0,0,0|0,0,1]=3 79 B11R1.15 CCOC(=O)C1=CC(N)=NN1 CS-0058627 [0,1,0,0,1,0|2,0,0]=4 80 B11R1.15 CCOC(=O)C1=CC=C(N)O1 CS-1148825 [0,1,0,0,1,0|1,0,0]=3 81 B11R1.15 CCOC(=O)C1=NOC(I)=C1 CS-0340215 [0,1,0,0,1,0|2,0,0]=4 82 B11R1.199 CCOC(=O)C1=C(Cl)NC=N1 CS-0157940 [0,1,0,0,1,0|2,0,0]=4 83 B11R1.199 CCOC(=O)C1=NNC=C1F CS-0468555 [0,1,0,0,1,0|2,0,0]=4 84 B11R1.199 CCOC(=O)C1=NOC=C1Br CS-0636525 [0,1,0,0,1,0|2,0,0]=4 85 B11R1.199 CCOC(=O)C1=NOC=C1O CS-0633848 [0,1,0,0,1,0|2,0,0]=4 86 B13R1.19 CCOC(=O)CC1=CN=C(Br)N=C1 CS-0049542 [0,1,0,0,0,1|2,0,0]=4 87 B13R1.19 CCOC(=O)CC1=CN=C(Cl)N=C1 CS-0049540 [0,1,0,0,0,1|2,0,0]=4 88 B13R1.19 CNCC(=O)NC1=CC=C(C)C=C1 CS-0219576 [0,1,0,0,0,1|2,0,0]=4 89 B13R1.19 COCC(=O)NC1=CC=C(O)C=C1 CS-0260929 [0,1,0,0,0,1|2,0,0]=4 90 B13R1.20 CCNC(=O)NC1=NC=CC(Br)=C1 CS-0062071 [0,1,0,0,0,1|2,0,0]=4 91 B13R1.20 CCOC(=O)CC1=CC(F)=NC=C1 CS-0643417 [0,1,0,0,0,1|1,0,0]=3 92 B13R1.44 NCCCC(=O)NC1=CC=CC=C1 CS-0970761 [0,1,0,0,0,1|1,0,0]=3 93 B13R1.470 CCOC(=O)CC1=C(C)C=NC=C1 CS-0635663 [0,1,0,0,0,1|1,0,0]=3 94 B13R1.470 CCOC(=O)CC1=NC=CC=C1Cl CS-0370351 [0,1,0,0,0,1|1,0,0]=3 95 B13R1.470 CCOC(=O)CC1=NC=CC=C1F CS-0458859 [0,1,0,0,0,1|1,0,0]=3 96 B13R1.405 CCCC(C(=O)O)C1=CC=CC=C1 CS-0219893 [0,2,0,0,0,0|1,0,1]=4 97 B13R1.466 CCOC(=O)C1=NNC(=O)C(Br)=C1 CS-0254946 [0,2,0,0,0,0|2,0,0]=4 98 B13R1.1511 CCOC(=O)C1=C(Br)C=C(Br)N=C1 CS-0611545 [0,2,0,0,0,0|1,0,0]=3 99 B13R1.1511 CCOC(=O)C1=CC=C(C)C=C1N CS-0044373 [0,2,0,0,0,0|0,0,0]=2 100 B13R1.1511 CCOC(=O)C1=CN=C(Cl)N=C1N CS-W022683 [0,2,0,0,0,0|2,0,0]=4 101 B13R1.1511 CCOC(=O)C1=NC=C(C)N=C1Cl CS-0493800 [0,2,0,0,0,0|2,0,0]=4 102 B13R1.12 CCOC(=O)C1=C(Cl)C(Cl)=NC=N1 CS-M1613 [0,2,0,0,0,0|2,0,0]=4 103 B13R1.12 CCOC(=O)C1=CC=CC(F)=C1F CS-0097909 [0,2,0,0,0,0|0,0,0]=2 104 B13R1.12 CCOC(=O)C1=CC=CC(S)=C1F CS-0110570 [0,2,0,0,0,0|0,0,0]=2 105 B13R1.18 O=C(CCCCl)C1=CC(F)=CC=C1 CS-0550797 [0,2,0,0,0,0|1,0,0]=3 106 B13R1.446 CCOC(=O)C1=CC(C)=CC=C1N CS-0019241 [0,2,0,0,0,0|0,0,0]=2 107 B13R1.446 CCOC(=O)C1=CC(Cl)=NN=C1N CS-0161140 [0,2,0,0,0,0|2,0,0]=4 108 B13R1.446 CCOC(=O)C1=CC(F)=CN=C1Cl CS-0049507 [0,2,0,0,0,0|1,0,0]=3 109 B13R1.446 CCOC(=O)C1=CC(I)=CN=C1N CS-0041125 [0,2,0,0,0,0|1,0,0]=3 110 B13R1.450 CCOC(=O)C1=CC(C)=CC(C)=C1 CS-0318311 [0,2,0,0,0,0|0,0,0]=2 111 B13R1.450 CCOC(=O)C1=NC(Cl)=CC(Cl)=C1 CS-0019341 [0,2,0,0,0,0|1,0,0]=3 112 B13R1.460 CCOC(=O)C1=NC(SC)=NC=C1 CS-W000753 [0,2,0,0,0,0|2,0,0]=4 113 B13R1.460 CCOC(=O)C1=NC=CC(CCl)=C1 CS-0698286 [0,2,0,0,0,0|1,0,0]=3 114 B13R1.24 O=C(CCCCCl)C1=CC=CC=C1 CS-0179166 [0,2,0,0,0,0|1,0,0]=3 115 B13R1.45 CC(C)COC(=O)C1=CC=CC=C1 CS-0187444 [0,2,0,0,0,0|0,0,0]=2 116 B13R1.45 CN(C)CCC(=O)C1=CC=CC=C1 CS-0001978 [0,2,0,0,0,0|1,0,0]=3 117 B13R1.45 CN(C)\C=C\C(=O)C1=CC=CC=C1 CS-0094475 [0,2,0,0,0,0|1,0,1]=4 118 B13R1.122 C#CCOS(=O)(=O)C1=CC=CC=C1 CS-W010595 [0,2,0,0,0,0|1,0,1]=4 119 B13R1.674 CCCNC(=O)C1=CC=CC=C1N CS-0213018 [0,2,0,0,0,0|1,0,0]=3 120 B13R1.696 COC(=O)C(=O)C1=CC=CC=C1Cl CS-0138344 [0,2,0,0,0,0|2,0,0]=4 121 B13R1.352 CC(C)(C)OC(=O)C1=CC=CC=C1 CS-0154844 [0,2,0,0,0,0|0,0,0]=2 122 B13R1.4453 CCOC(=O)C1=C(Br)C=CN=C1N CS-0898167 [0,2,0,0,0,0|1,0,0]=3 123 B13R1.4453 CCOC(=O)C1=C(C)C=CC=C1C CS-0320208 [0,2,0,0,0,0|0,0,0]=2 124 B13R1.4453 CCOC(=O)C1=C(Cl)C=CC=C1O CS-W018896 [0,2,0,0,0,0|0,0,0]=2 125 B11R2.1 O=C1COC2=C1C=CC=N2 CS-0308150 [1,0,0,1,0,0|2,0,0]=4 126 B11R2.40 OC1(C2=CC=CC=C2)CC1 CS-0056020 [1,0,0,1,0,0|0,0,2]=4 127 B11R2.106 O=C1OCCC2=C1SC=C2 CS-0611574 [0,0,0,1,1,0|1,0,0]=3 128 B13R2.3 C1=CC=C(C2CNCCO2)C=C1 CS-0076888 [0,1,0,1,0,0|1,0,1]=4 129 B13R2.1613 N#CC1OCCC2=CC=CC=C21 CS-0629204 [0,1,0,1,0,0|1,0,1]=4 130 B13R2.1613 O=CC1CCCC2=C1C=CC=C2 CS-0139345 [0,1,0,1,0,0|1,0,1]=4 131 B13R2.2931 NCC1OB(O)C2=CC=CC=C21 CS-0133650 [0,1,0,1,0,0|1,0,1]=4 132 B13R2.12 NC1=CC=C(C2=NCCO2)C=C1 CS-0261331 [0,1,0,1,0,0|1,0,0]=3 133 B13R2.5179 O=C1COCC2=CC(Br)=CC=C12 CS-0037637 [0,1,0,1,0,0|2,0,0]=4 134 B13R2.5187 NC1=CC2=C(C=C1)C(=O)OC2=O CS-0370543 [0,1,0,1,0,0|1,0,1]=4 135 B13R2.5187 O=C1OC(=O)C2=C1C=CC(Br)=C2 CS-W019549 [0,1,0,1,0,0|1,0,1]=4 136 B13R2.5187 O=C1OC(O)C2=CC=C(Br)C=C12 CS-0491945 [0,1,0,1,0,0|1,0,0]=3 137 B13R2.13 NC1=CC=CC(C2=NCCO2)=C1 CS-0620067 [0,1,0,1,0,0|1,0,0]=3 138 B13R2.162 NC1=CC=C2CCOC(=O)C2=C1 CS-0255746 [0,1,0,1,0,0|0,0,0]=2 139 B13R2.162 O=C1CCCC2=CN=C(Cl)C=C12 CS-0120183 [0,1,0,1,0,0|2,0,0]=4 140 B13R2.342 NC1=CC=CC2=C1OCCC2=O CS-0534576 [0,1,0,1,0,0|2,0,0]=4 141 B13R2.342 O=C1COCC2=C1C=CC=C2Br CS-0476152 [0,1,0,1,0,0|2,0,0]=4 142 B13R2.342 O=C1NCCC2=C1C=CC=C2I CS-0547598 [0,1,0,1,0,0|1,0,0]=3 143 B13R2.342 OC1=NCCC2=C1C=CC=C2F CS-0043834 [0,1,0,1,0,0|1,0,1]=4 144 B13R2.32 O=C1C2=CC=CC=C2OCC1Br CS-W000656 [0,1,0,1,0,0|2,0,0]=4 145 B13R2.12159 O=C1OS(=O)(=O)C2=CC=CC=C12 CS-0066044 [0,1,0,1,0,0|2,0,0]=4 146 B13R2.3097 O=C(C1=CC=CC=C1F)C2CC2 CS-0463589 [0,1,0,1,0,0|1,0,0]=3 147 B13R2.3097 O=C(C1=CC=CC=C1O)C2CC2 CS-0227075 [0,1,0,1,0,0|1,0,0]=3 148 B13R2.4818 NC1=CC=CC2=C1C(=O)NCC2 CS-0433150 [0,1,0,1,0,0|1,0,0]=3 149 B13R2.4818 O=C1COCC2=C1C(Br)=CC=C2 CS-0476153 [0,1,0,1,0,0|2,0,0]=4 150 B13R2.4818 O=C1NCCC2=C1C(Br)=CC=C2 CS-0146222 [0,1,0,1,0,0|1,0,0]=3 151 B13R2.4818 O=C1NCCC2=C1C(F)=CC=C2 CS-0528605 [0,1,0,1,0,0|1,0,0]=3 152 B9R1.11 CCC(=O)C1=CSC=C1 CS-0241504 [1,0,0,0,1,0|1,0,0]=3 153 B9R1.11 O=C(CO)C1=CC=CO1 CS-0320794 [1,0,0,0,1,0|2,0,0]=4