0 B10R1.18 CC(C)NC1=CC=CC=C1 CS-W019925 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.18 CC(C)OC1=CC=CN=C1 CS-0028731 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.18 N=C(O)NC1=CC=CC=C1 CS-W017760 [0,0,0,0,0,0|2,0,2]=4 3 B9R1.8 BrCCC1=CC=CC=C1 CS-W019955 [1,0,0,0,0,0|1,0,0]=2 4 B9R1.8 CNCC1=CC=CC=C1 CS-W007426 [1,0,0,0,0,0|1,0,0]=2 5 B9R1.8 C\C=C\C1=CC=CC=C1 CS-0069845 [1,0,0,0,0,0|0,0,2]=3 6 B9R1.8 N#CCC1=CC=CC=N1 CS-W019430 [1,0,0,0,0,0|1,0,2]=4 7 B9R1.8 NOCC1=CC=CC=C1 CS-W008955 [1,0,0,0,0,0|1,0,0]=2 8 B9R1.8 O\N=C\C1=CC=CC=C1 CS-0034180 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 CS-0028773 [0,1,0,0,0,0|1,0,0]=2 10 B11R1.20 CC(C)OC1=CC=C(O)C=N1 CS-0100501 [0,1,0,0,0,0|3,0,0]=4 11 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 CS-W008979 [0,1,0,0,0,0|2,0,1]=4 12 B11R1.20 FC(F)OC1=CC=C(Br)C=C1 CS-W013106 [0,1,0,0,0,0|3,0,0]=4 13 B11R1.20 NC1=CC=C(OC(F)F)C=C1 CS-W016186 [0,1,0,0,0,0|3,0,0]=4 14 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 CS-W010778 [0,1,0,0,0,0|2,0,1]=4 15 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 CS-W019544 [0,1,0,0,0,0|1,0,2]=4 16 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 CS-W019313 [0,1,0,0,0,0|1,0,1]=3 17 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 CS-W010964 [0,1,0,0,0,0|2,0,1]=4 18 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 CS-W018122 [0,1,0,0,0,0|2,0,1]=4 19 B11R1.36 O=C(C1=CC=CC=C1)C(F)F CS-0095863 [0,1,0,0,0,0|2,0,1]=4 20 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 CS-D1423 [0,1,0,0,0,0|2,0,1]=4 21 B11R1.40 COC(=O)CC1=CC=NC=C1 CS-0015139 [0,1,0,0,0,0|2,0,1]=4 22 B11R1.40 NC(CO)CC1=CC=CC=C1 CS-W019002 [0,1,0,0,0,0|0,0,0]=1 23 B11R1.86 CC(=O)CC1=CC=CC=C1Br CS-W007949 [0,1,0,0,0,0|1,0,1]=3 24 B11R1.86 CC(=O)NC1=CC=CC=C1N CS-W008938 [0,1,0,0,0,0|2,0,1]=4 25 B11R1.86 CC1=CC=CC=C1CC(=O)O CS-W018151 [0,1,0,0,0,0|2,0,1]=4 26 B11R1.86 FC(F)OC1=CC=CC=C1I CS-W021254 [0,1,0,0,0,0|3,0,0]=4 27 B11R1.86 NC(=S)NC1=CC=CC=C1Br CS-0093548 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.86 O=C(O)CC1=CC=CC=C1F CS-W020118 [0,1,0,0,0,0|2,0,1]=4 29 B11R1.157 CC1=CC(CC(=O)O)=CC=C1 CS-0046111 [0,1,0,0,0,0|2,0,1]=4 30 B11R1.157 NC1=CC(OC(F)F)=CC=C1 CS-W008180 [0,1,0,0,0,0|3,0,0]=4 31 B11R1.157 O=C(O)CC1=CC(Br)=CC=C1 CS-W004766 [0,1,0,0,0,0|2,0,1]=4 32 B11R1.157 OC1=CC(OC(F)F)=CC=C1 CS-W021774 [0,1,0,0,0,0|3,0,0]=4 33 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 CS-0015806 [0,1,0,0,0,0|2,0,0]=3 34 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 CS-0019417 [0,1,0,0,0,0|2,0,0]=3 35 B11R2.10 CC1=CC2=CC=CC=C2N1 CS-W007556 [0,0,0,1,0,0|0,0,2]=3 36 B11R2.10 CC1=NC2=CC=CC=C2O1 CS-0095153 [0,0,0,1,0,0|1,0,2]=4 37 B11R2.10 CC1=NC2=CC=CC=C2S1 CS-W009170 [0,0,0,1,0,0|1,0,2]=4 38 B11R2.10 ClC1=NC2=CC=CC=C2N1 CS-W016291 [0,0,0,1,0,0|2,0,1]=4 39 B11R2.10 N=C1NC2=CC=CC=C2S1 CS-W018140 [0,0,0,1,0,0|2,0,1]=4 40 B11R2.10 O=C1CC2=C(C=CC=C2)C1 CS-W020518 [0,0,0,1,0,0|1,0,1]=3 41 B11R2.10 S=C1NC2=CC=CC=C2N1 CS-W023180 [0,0,0,1,0,0|2,0,1]=4 42 B11R2.10 S=C1NC2=CC=CC=C2S1 CS-W017829 [0,0,0,1,0,0|2,0,1]=4 43 B9R1.6 CC(=O)C1=NC=CC=C1 CS-W008602 [0,0,0,0,1,0|2,0,1]=4 44 B9R1.6 CC(N)C1=CC=NC=C1 CS-D0736 [0,0,0,0,1,0|1,0,0]=2 45 B9R1.6 CC(N)C1=NC=CN=C1 CS-B0644 [0,0,0,0,1,0|2,0,0]=3 46 B9R1.6 CN(C)C1=CC=NC=C1 CS-W008903 [0,0,0,0,1,0|3,0,0]=4 47 B9R1.6 CS(=O)C1=CC=CC=C1 CS-0046805 [0,0,0,0,1,0|2,0,0]=3 48 B9R1.6 C[C@@H](N)C1=NC=CC=C1 CS-M2154 [0,0,0,0,1,0|1,0,0]=2 49 B9R1.6 C[C@H](N)C1=CC=CC=C1 CS-W019840 [0,0,0,0,1,0|0,0,0]=1 50 B9R1.6 N=C(N)C1=CC=NC=C1 CS-0094490 [0,0,0,0,1,0|2,0,1]=4 51 B9R1.6 O=S([O-])C1=CC=CC=C1 CS-W014314 [0,0,0,0,1,0|3,0,0]=4 52 B11R1.91 CC(=O)NNC1=CC=CC=C1 CS-W018141 [0,0,0,0,0,1|2,0,1]=4 53 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 CS-W018211 [0,0,0,0,0,1|1,0,2]=4 54 B11R1.91 O=C(O)COC1=CC=CC=C1 CS-0013736 [0,0,0,0,0,1|2,0,1]=4 55 B8R1.2 CCC1=NC=CN=C1 CS-W021688 [2,0,0,0,0,0|2,0,0]=4 56 B8R1.2 CNC1=CN=CC=C1 CS-W005202 [2,0,0,0,0,0|2,0,0]=4 57 B8R1.2 COC1=CN=CC=C1 CS-W008119 [2,0,0,0,0,0|2,0,0]=4 58 B8R1.2 ICC1=CC=CC=C1 CS-W005987 [2,0,0,0,0,0|1,0,0]=3 59 B8R1.2 NCC1=CC=NC=C1 CS-W007632 [2,0,0,0,0,0|1,0,0]=3 60 B8R1.2 NCC1=NC=CN=C1 CS-0002045 [2,0,0,0,0,0|2,0,0]=4 61 B8R1.2 NNC1=CC=CC=C1 CS-W014355 [2,0,0,0,0,0|1,0,0]=3 62 B8R1.2 NOC1=CC=CC=C1 CS-0022011 [2,0,0,0,0,0|1,0,0]=3 63 B8R1.2 OCC1=CC=NC=C1 CS-W007605 [2,0,0,0,0,0|2,0,0]=4 64 B8R1.2 OCC1=NC=CC=C1 CS-W020042 [2,0,0,0,0,0|2,0,0]=4 65 B10R1.1 C=CCC1=CC=C(C)C=C1 CS-0109480 [1,1,0,0,0,0|0,0,2]=4 66 B10R1.1 CC1=CC=C(CC#N)C=C1 CS-W020586 [1,1,0,0,0,0|0,0,2]=4 67 B10R1.1 CCCC1=CC=C(N)C=C1 CS-W013343 [1,1,0,0,0,0|0,0,0]=2 68 B10R1.1 CCOC1=CC=C(Br)N=C1 CS-0038554 [1,1,0,0,0,0|2,0,0]=4 69 B10R1.1 N#CCC1=CC=C(Cl)C=C1 CS-W018106 [1,1,0,0,0,0|0,0,2]=4 70 B10R1.1 NCCC1=CC=C(Cl)C=C1 CS-W004775 [1,1,0,0,0,0|0,0,0]=2 71 B10R1.1 NOCC1=CC=C(Cl)C=C1 CS-B1210 [1,1,0,0,0,0|1,0,0]=3 72 B10R1.4 CC1=CC=CC=C1CC#N CS-W019570 [1,1,0,0,0,0|0,0,2]=4 73 B10R1.4 CC1=CC=CC=C1CCO CS-W021450 [1,1,0,0,0,0|1,0,0]=3 74 B10R1.4 CCOC1=CC=CC=C1O CS-0040351 [1,1,0,0,0,0|1,0,0]=3 75 B10R1.4 COCC1=CC=CC=C1O CS-W021443 [1,1,0,0,0,0|1,0,0]=3 76 B10R1.4 N#CCC1=CC=CC=C1Br CS-W019568 [1,1,0,0,0,0|0,0,2]=4 77 B10R1.4 N#CCC1=CC=CC=C1Cl CS-W020135 [1,1,0,0,0,0|0,0,2]=4 78 B10R1.10 CC1=CC(CC#N)=CC=C1 CS-W005445 [1,1,0,0,0,0|0,0,2]=4 79 B10R1.10 N#CCC1=CC(Cl)=CC=C1 CS-W018107 [1,1,0,0,0,0|0,0,2]=4 80 B10R1.10 NCCC1=CC(Cl)=CC=C1 CS-W005099 [1,1,0,0,0,0|0,0,0]=2 81 B10R1.10 OCCC1=CC(Br)=CC=C1 CS-W007864 [1,1,0,0,0,0|1,0,0]=3 82 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 CS-W007718 [1,1,0,0,0,0|0,0,0]=2 83 B10R1.15 N[C@H](CO)C1=CC=CC=C1 CS-W008706 [1,1,0,0,0,0|1,0,0]=3 84 B10R1.17 C#CCCC1=CC=CC=C1 CS-0081605 [1,1,0,0,0,0|0,0,1]=3 85 B10R1.17 C=CCOC1=CC=CC=C1 CS-W013371 [1,1,0,0,0,0|0,0,2]=4 86 B10R1.17 CCNCC1=CC=CC=C1 CS-W013340 [1,1,0,0,0,0|0,0,0]=2 87 B10R1.17 NCCNC1=CC=CC=C1 CS-0045385 [1,1,0,0,0,0|0,0,0]=2 88 B10R1.17 OCC#CC1=CC=CC=C1 CS-W007420 [1,1,0,0,0,0|0,0,2]=4 89 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 CS-W020546 [0,1,0,0,1,0|1,0,1]=4 90 B10R1.13 CC(=O)C1=CC=C(C)C=C1 CS-W013369 [0,1,0,0,1,0|1,0,1]=4 91 B10R1.13 CC(=O)C1=CC=C(F)C=C1 CS-W020117 [0,1,0,0,1,0|1,0,1]=4 92 B10R1.13 CC(C)C1=CC=C(Br)C=C1 CS-W019945 [0,1,0,0,1,0|1,0,0]=3 93 B10R1.13 CC(C)C1=NC=C(N)C=C1 CS-W005813 [0,1,0,0,1,0|2,0,0]=4 94 B10R1.13 CC(N)C1=CC=C(Br)C=C1 CS-W019475 [0,1,0,0,1,0|0,0,0]=2 95 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 CS-M0647 [0,1,0,0,1,0|0,0,0]=2 96 B10R1.13 Cc1ccc(C(C)C)cc1 CS-0016226 [0,1,0,0,1,0|1,0,0]=3 97 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 CS-W019519 [0,1,0,0,1,0|1,0,1]=4 98 B10R1.13 NC(=O)C1=CC=C(N)C=C1 CS-W017757 [0,1,0,0,1,0|1,0,1]=4 99 B10R1.13 NC(=S)C1=CC=C(O)C=C1 CS-W018071 [0,1,0,0,1,0|1,0,1]=4 100 B10R1.28 CC(C)(N)C1=CC=CC=C1 CS-W004689 [0,1,0,0,1,0|0,0,0]=2 101 B10R1.28 NS(=O)(=O)C1=CC=CC=C1 CS-W020081 [0,1,0,0,1,0|2,0,0]=4 102 B10R1.61 CC(=O)C1=CC=CC=C1C CS-W013374 [0,1,0,0,1,0|1,0,1]=4 103 B10R1.61 CC(=O)C1=CC=CC=C1Cl CS-W010929 [0,1,0,0,1,0|1,0,1]=4 104 B10R1.61 CC(=O)C1=CC=CC=C1I CS-W007878 [0,1,0,0,1,0|1,0,1]=4 105 B10R1.61 CC(O)C1=C(Cl)C=CC=C1 CS-M1701 [0,1,0,0,1,0|1,0,0]=3 106 B10R1.61 CN(C)C1=CC=CC=C1Br CS-0015849 [0,1,0,0,1,0|2,0,0]=4 107 B10R1.61 C[C@H](N)C1=CC=CC=C1Br CS-0000338 [0,1,0,0,1,0|0,0,0]=2 108 B10R1.61 NC(=O)C1=CC=CC=C1Br CS-0038446 [0,1,0,0,1,0|1,0,1]=4 109 B10R1.61 NC(=O)C1=CC=CC=C1N CS-D1680 [0,1,0,0,1,0|1,0,1]=4 110 B10R1.113 CC(=O)C1=CC(I)=CC=C1 CS-W010241 [0,1,0,0,1,0|1,0,1]=4 111 B10R1.113 CC(=O)C1=CC=CC(Br)=C1 CS-W009131 [0,1,0,0,1,0|1,0,1]=4 112 B10R1.113 CC(=O)C1=CC=CC(C)=C1 CS-W013375 [0,1,0,0,1,0|1,0,1]=4 113 B10R1.113 CC(=O)C1=CC=CC(O)=C1 CS-0015375 [0,1,0,0,1,0|1,0,1]=4 114 B10R1.113 CC(N)C1=CC(O)=CC=C1 CS-M0013 [0,1,0,0,1,0|0,0,0]=2 115 B10R1.113 C[C@@H](O)C1=CC(Cl)=CC=C1 CS-W007109 [0,1,0,0,1,0|1,0,0]=3 116 B10R1.113 FC(F)C1=CC=CC(Br)=C1 CS-W021308 [0,1,0,0,1,0|2,0,0]=4 117 B10R1.113 NC(=O)C1=CC=CC(Br)=C1 CS-W021882 [0,1,0,0,1,0|1,0,1]=4 118 B12R1.27 COC(=O)CCC1=CC=CC=C1 CS-W007828 [0,1,0,0,0,1|1,0,1]=4 119 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 CS-M1051 [0,1,0,0,0,1|1,0,0]=3 120 B12R1.107 CC(=O)N[C@H](C)C1=CC=CC=C1 CS-M0683 [0,1,0,0,0,1|1,0,1]=4 121 B12R1.20 CC(Br)C(=O)C1=CC=C(Br)C=C1 CS-W012184 [0,2,0,0,0,0|1,0,1]=4 122 B12R1.20 CC1=CC=C(C(=O)C(C)Br)C=C1 CS-0102565 [0,2,0,0,0,0|1,0,1]=4 123 B12R1.49 CNC(=O)CC1=CC=C(Cl)C=C1 CS-0038025 [0,2,0,0,0,0|1,0,1]=4 124 B12R1.49 COC(=O)CC1=CC=C(Cl)C=C1 CS-W022850 [0,2,0,0,0,0|1,0,1]=4 125 B12R1.49 COC(=O)CC1=CC=C(F)C=C1 CS-W008065 [0,2,0,0,0,0|1,0,1]=4 126 B12R1.49 COC(=O)CC1=CC=C(N)C=C1 CS-0028736 [0,2,0,0,0,0|1,0,1]=4 127 B12R1.49 NNC(=O)CC1=CC=C(F)C=C1 CS-B1335 [0,2,0,0,0,0|1,0,1]=4 128 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 CS-W018755 [0,2,0,0,0,0|1,0,1]=4 129 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 CS-W015540 [0,2,0,0,0,0|1,0,1]=4 130 B12R1.564 O[C@@H](C1=CC=CC=C1)C(F)(F)F CS-0034203 [0,2,0,0,0,0|2,0,0]=4 131 B12R1.50 COC(=O)CC1=CC=CC(F)=C1 CS-0088534 [0,2,0,0,0,0|1,0,1]=4 132 B12R1.371 COC(=O)CC1=CC=CC=C1Cl CS-0030578 [0,2,0,0,0,0|1,0,1]=4 133 B12R1.127 CC(C)OC1=C(N)C=CC(F)=C1 CS-0043788 [0,2,0,0,0,0|2,0,0]=4 134 B10R2.7 C1=CC2=C(C=C1)CC=C2 CS-0015092 [1,0,0,1,0,0|0,0,2]=4 135 B10R2.7 C1=CC2=C(C=C1)SCS2 CS-0040606 [1,0,0,1,0,0|2,0,0]=4 136 B10R2.7 C1=CC=C2NN=NC2=C1 CS-D1407 [1,0,0,1,0,0|2,0,0]=4 137 B10R2.7 C1=CC=C2OCCC2=C1 CS-M0160 [1,0,0,1,0,0|1,0,0]=3 138 B10R2.7 C1=NC=C2CNCC2=C1 CS-W003872 [1,0,0,1,0,0|2,0,0]=4 139 B12R2.606 CC1=NC2=CC(I)=CC=C2N1 CS-0041379 [0,1,0,1,0,0|1,0,1]=4 140 B12R2.606 O=C1CC2=C(C=C(Br)C=C2)N1 CS-W008941 [0,1,0,1,0,0|1,0,1]=4 141 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)N1 CS-W008657 [0,1,0,1,0,0|1,0,1]=4 142 B12R2.32 CCC1=NC2=CC=CC=C2N1 CS-0030568 [0,1,0,1,0,0|1,0,1]=4 143 B12R2.32 OCC1CC2=CC=CC=C2O1 CS-0031351 [0,1,0,1,0,0|1,0,0]=3 144 B12R2.202 O=C1CC2=C(C=CC=C2Cl)N1 CS-W022163 [0,1,0,1,0,0|1,0,1]=4 145 B8R1.7 CC(N)C1=NC=CS1 CS-W008693 [0,0,0,0,2,0|2,0,0]=4