0 B13R2.162 BrC1=CC=CC2=CC=C(I)C=C12 MC445702 [1,0,0,0,0,0|3,0,0]=4 1 B13R2.162 BrC1=NC2=C(Br)C=CC=C2C=C1 MC115951 [1,0,0,0,0,0|2,0,1]=4 2 B13R2.162 CC1=NC2=C(N)C=CC=C2C=C1 CS10006 [1,0,0,0,0,0|2,0,1]=4 3 B13R2.162 CC1=NC2=C(O)C=CC=C2C=C1 CS16057 [1,0,0,0,0,0|2,0,1]=4 4 B13R2.162 ClC1=NC2=C(Br)C=CC=C2C=C1 CS12582 [1,0,0,0,0,0|2,0,1]=4 5 B13R2.162 NC1=NC2=C(Br)C=CC=C2C=C1 MC442437 [1,0,0,0,0,0|2,0,1]=4 6 B13R2.162 O=C1C=CC2=C(O1)C(Br)=CC=C2 CS12344 [1,0,0,0,0,0|2,0,0]=3 7 B13R2.162 O=C1C=CC2=CC=CC(Br)=C2N1 MC441083 [1,0,0,0,0,0|1,0,0]=2 8 B13R2.162 O=C1COC2=C(N1)C(F)=CC=C2 MC442252 [1,0,0,0,0,0|2,0,1]=4 9 B13R2.162 OC1=CC=CC2=CC=C(Br)C=C12 MC432537 [1,0,0,0,0,0|3,0,0]=4 10 B13R2.162 OC1=CC=CC2=CC=C(F)C=C12 MC431686 [1,0,0,0,0,0|3,0,0]=4 11 B13R2.369 BrC1=CC2=CC=CC=C2C=C1Br CS11242 [1,0,0,0,0,0|3,0,0]=4 12 B13R2.369 CC1=C(O)C=C2C=CC=NC2=C1 MC443422 [1,0,0,0,0,0|3,0,0]=4 13 B13R2.369 ClC1=CC2=CC=CC=C2N=C1Cl CS15838 [1,0,0,0,0,0|2,0,1]=4 14 B13R2.369 NC1=CC2=CC=CC=C2C=C1I MC431733 [1,0,0,0,0,0|3,0,0]=4 15 B13R2.369 O=C1NC2=C(N=CC=C2)NC1=O MC107831 [1,0,0,0,0,0|2,0,1]=4 16 B13R2.5179 BrC1=C2N=CC(I)=CC2=CC=C1 MC115647 [1,0,0,0,0,0|2,0,1]=4 17 B13R2.5179 BrC1=CC2=CC=CC(I)=C2N=C1 MC102529 [1,0,0,0,0,0|2,0,1]=4 18 B13R2.5179 CC1=CC=C2C(N)=CC=CC2=C1 MC443731 [1,0,0,0,0,0|3,0,0]=4 19 B13R2.5179 CC1=CC=NC2=CC(Br)=CC=C12 CS14818 [1,0,0,0,0,0|3,0,0]=4 20 B13R2.5179 CC1=CC=NC2=CC(N)=CC=C12 CS14685 [1,0,0,0,0,0|3,0,0]=4 21 B13R2.5179 FC1=C2N=CC(Br)=CC2=CC=C1 MC429330 [1,0,0,0,0,0|2,0,1]=4 22 B13R2.5179 FC1=C2N=CC(I)=CC2=CC=C1 MC115831 [1,0,0,0,0,0|2,0,1]=4 23 B13R2.5179 NC1=CC=CC2=CC(F)=CC=C12 MC432422 [1,0,0,0,0,0|3,0,0]=4 24 B13R2.5179 OC1=CC2=NC=CC(Cl)=C2N=C1 MC443590 [1,0,0,0,0,0|2,0,1]=4 25 B13R2.5179 OC1=CC=C2C(=C1)C=CN=C2Cl MC111225 [1,0,0,0,0,0|3,0,0]=4 26 B13R2.5179 OC1=CC=C2C(O)=CC=CC2=C1 CS15075 [1,0,0,0,0,0|2,0,0]=3 27 B13R2.5179 OC1=CC=C2C(O)=CC=NC2=C1 MC425086 [1,0,0,0,0,0|3,0,0]=4 28 B13R2.5179 OC1=CC=CC2=CC(Br)=CC=C12 CS16736 [1,0,0,0,0,0|3,0,0]=4 29 B13R2.5179 OC1=CC=CC2=CC(F)=CC=C12 MC431749 [1,0,0,0,0,0|3,0,0]=4 30 B13R1.4928 CC1=CC=CC(C)=C1NC(=O)CCl CS22299 [0,0,1,0,0,0|1,0,2]=4 31 B13R2.4825 CC1=C(C)C2=CC=CC(N)=C2N1 CS16681 [0,0,0,0,1,0|3,0,0]=4 32 B13R2.4825 O=C1NC2=C(Br)C=CC=C2C1=O CS13925 [0,0,0,0,1,0|1,0,1]=3 33 B13R2.4825 O=C1NC2=C(Cl)C=CC=C2C1=O CS20590 [0,0,0,0,1,0|1,0,1]=3 34 B13R2.4825 O=C1NC2=C(F)C=CC=C2C1=O CS10646 [0,0,0,0,1,0|1,0,1]=3 35 B13R2.4856 O=C1NC2=CC=CC(Br)=C2C1=O CS13924 [0,0,0,0,1,0|2,0,1]=4 36 B13R2.4856 O=C1NC2=CC=CC(Cl)=C2C1=O CS22789 [0,0,0,0,1,0|2,0,1]=4 37 B13R2.4856 O=C1NC2=CC=CC(F)=C2C1=O CS22839 [0,0,0,0,1,0|2,0,1]=4 38 B12R1.224 CC1=CC=CC(CC(=O)O)=C1C MC20108 [1,0,1,0,0,0|1,0,1]=4 39 B12R1.226 O=C(O)\C=C\C1=CC(Br)=CC=C1 CS21499 [1,0,1,0,0,0|2,0,0]=4 40 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 CS21503 [1,0,1,0,0,0|2,0,0]=4 41 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 MC40208 [1,0,1,0,0,0|2,0,0]=4 42 B12R1.226 O=C(O)\C=C\C1=CC(F)=CC=C1 CS10976 [1,0,1,0,0,0|2,0,0]=4 43 B12R1.226 O=C(O)\C=C\C1=CC(F)=CC=C1 MC40216 [1,0,1,0,0,0|2,0,0]=4 44 B12R1.1009 CC1=CC=CC(C)=C1CC(=O)O MC431246 [1,0,1,0,0,0|1,0,1]=4 45 B12R2.24 BrC1=CC2=CC=CC=C2C=C1 CS19153 [2,0,0,0,0,0|2,0,0]=4 46 B12R2.24 BrC1=CC2=CC=CC=C2N=C1 CS21394 [2,0,0,0,0,0|1,0,1]=4 47 B12R2.24 BrC1=NC2=CC=CC=C2C=C1 CS21392 [2,0,0,0,0,0|1,0,1]=4 48 B12R2.24 CC1=CC2=CC=CC=C2N=C1 CS11336 [2,0,0,0,0,0|1,0,1]=4 49 B12R2.24 CC1=NC2=CC=CC=C2C=C1 CS11335 [2,0,0,0,0,0|1,0,1]=4 50 B12R2.24 ClC1=CC2=CC=CC=C2N=C1 CS22245 [2,0,0,0,0,0|1,0,1]=4 51 B12R2.24 ClC1=NC2=CC=CC=C2C=C1 CS21419 [2,0,0,0,0,0|1,0,1]=4 52 B12R2.24 NC1=CC2=CC=CC=C2C=C1 MC41753 [2,0,0,0,0,0|2,0,0]=4 53 B12R2.24 NC1=CC2=CC=CC=C2N=C1 CS11010 [2,0,0,0,0,0|1,0,1]=4 54 B12R2.24 NC1=NC2=CC=CC=C2C=C1 CS11009 [2,0,0,0,0,0|1,0,1]=4 55 B12R2.24 O=C1C=CC2=CN=CC=C2N1 MC442445 [2,0,0,0,0,0|1,0,0]=3 56 B12R2.24 O=C1C=CC2=NC=CN=C2N1 CS12516 [2,0,0,0,0,0|2,0,0]=4 57 B12R2.24 O=C1C=NC2=C(N=CC=C2)N1 CS17925 [2,0,0,0,0,0|2,0,0]=4 58 B12R2.24 O=C1CCC2=CC=CC=C2N1 CS11038 [2,0,0,0,0,0|0,0,2]=4 59 B12R2.24 O=C1COC2=C(C=CC=C2)N1 CS21568 [2,0,0,0,0,0|1,0,1]=4 60 B12R2.24 OC1=CC2=CC=CC=C2C=C1 CS21708 [2,0,0,0,0,0|1,0,0]=3 61 B12R2.24 OC1=CC2=CC=CC=C2N=C1 CS19154 [2,0,0,0,0,0|0,0,1]=3 62 B12R2.24 OC1=CC=C2C=CC=NC2=C1 CS10982 [2,0,0,0,0,0|2,0,0]=4 63 B12R2.24 OC1=CC=C2C=CN=CC2=C1 MC441084 [2,0,0,0,0,0|2,0,0]=4 64 B12R2.24 OC1=CC=C2C=NC=CC2=C1 CS18471 [2,0,0,0,0,0|2,0,0]=4 65 B12R2.24 OC1=NC2=CC=CC=C2N=C1 CS21605 [2,0,0,0,0,0|1,0,1]=4 66 B12R2.1081 BrC1=C2N=CC=CC2=CC=C1 CS21400 [2,0,0,0,0,0|1,0,1]=4 67 B12R2.1081 BrC1=CC=CC2=CC=CC=C12 CS19505 [2,0,0,0,0,0|2,0,0]=4 68 B12R2.1081 CC1=C2C=CC=NC2=CC=C1 MC33383 [2,0,0,0,0,0|2,0,0]=4 69 B12R2.1081 CC1=C2N=CC=CC2=CC=C1 CS11338 [2,0,0,0,0,0|0,0,1]=3 70 B12R2.1081 CC1=C2N=CC=NC2=CC=C1 CS19791 [2,0,0,0,0,0|1,0,1]=4 71 B12R2.1081 CC1=CC=NC2=CC=CC=C12 CS11332 [2,0,0,0,0,0|2,0,0]=4 72 B12R2.1081 CC1=CN=CC2=CC=CC=C12 CS13187 [2,0,0,0,0,0|2,0,0]=4 73 B12R2.1081 ClC1=C2N=CC=CC2=CC=C1 CS21426 [2,0,0,0,0,0|1,0,1]=4 74 B12R2.1081 FC1=CC=CC2=CC=CC=C12 MC20582 [2,0,0,0,0,0|2,0,0]=4 75 B12R2.1081 Ic1cccc2ccccc12 MC434036 [2,0,0,0,0,0|2,0,0]=4 76 B12R2.1081 NC1=C2N=CC=CC2=CC=C1 CS22125 [2,0,0,0,0,0|1,0,1]=4 77 B12R2.1081 NC1=CC=CC2=CC=CC=C12 CS20774 [2,0,0,0,0,0|2,0,0]=4 78 B12R2.1081 NC1=CC=CC2=CC=CC=C12 MC41752 [2,0,0,0,0,0|2,0,0]=4 79 B12R2.1081 OC1=C2N=CC=CC2=CC=C1 MC30343 [2,0,0,0,0,0|1,0,1]=4 80 B12R2.1081 OC1=CC=CC2=CC=CC=C12 CS18546 [2,0,0,0,0,0|2,0,0]=4 81 B12R2.1081 SC1=C2N=CC=CC2=CC=C1 MC427717 [2,0,0,0,0,0|1,0,1]=4 82 B12R2.1081 [O-]c1cccc2cccnc12 MC440649 [2,0,0,0,0,0|1,0,1]=4 83 B14R2.142 O=CC1=CC2=C(Br)C=CC=C2C=C1 MC432432 [1,1,0,0,0,0|2,0,0]=4 84 B14R2.8045 O=C1NC2=C(C=CC=C2Br)C(=O)O1 MC106559 [1,1,0,0,0,0|2,0,0]=4 85 B14R2.8045 O=C1NC2=C(C=CC=C2F)C(=O)O1 MC106613 [1,1,0,0,0,0|2,0,0]=4 86 B14R2.8235 CC1=NC2=C(C)C=C(Br)C=C2C=C1 CS17647 [1,1,0,0,0,0|1,0,1]=4 87 B14R2.8235 O=C1N=CC2=CC(Cl)=CC(Br)=C2N1 MC106891 [1,1,0,0,0,0|2,0,0]=4 88 B14R2.8235 O=C1N=CC2=CC(F)=CC(Br)=C2N1 MC106890 [1,1,0,0,0,0|2,0,0]=4 89 B14R2.11684 COC1=C2N=C(Br)C=CC2=CC=C1 MC443451 [1,1,0,0,0,0|1,0,1]=4 90 B14R2.1128 O=CC1=CC2=CC=CC=C2C=C1O MC425440 [1,1,0,0,0,0|1,0,0]=3 91 B14R2.8239 OC1=CC=C2C=C(Br)C(O)=CC2=C1 MC103324 [1,1,0,0,0,0|2,0,0]=4 92 B14R2.1801 COC1=CC=C2C(Br)=CC=CC2=C1 MC10530 [1,1,0,0,0,0|2,0,0]=4 93 B14R2.1801 COC1=CC=C2C(C)=CC=NC2=C1 MC428257 [1,1,0,0,0,0|2,0,0]=4 94 B14R2.8620 O=C1NC2=C(Br)C=CC(F)=C2C1=O MC41763 [0,1,0,0,1,0|1,0,1]=4 95 B14R2.8737 Cc1ccc2c(c1F)NC(=O)C2=O MC433922 [0,1,0,0,1,0|1,0,1]=4 96 B14R2.11645 CCC1=C2NC(=O)C(=O)C2=CC=C1 MC442302 [0,1,0,0,1,0|0,0,1]=3 97 B14R2.11645 COC1=C2NC(=O)C(=O)C2=CC=C1 CS10823 [0,1,0,0,1,0|0,0,1]=3 98 B14R2.11690 COC1=C2C(=O)C(=O)NC2=CC=C1 CS15542 [0,1,0,0,1,0|1,0,1]=4 99 B14R2.4529 CC1=CC2=C(C=C1)OC(C(=O)O)=C2 MC441312 [0,0,1,1,0,0|1,0,0]=3 100 B14R2.4529 CC1=CC=C2NC(C(=O)O)=CC2=C1 CS10456 [0,0,1,1,0,0|2,0,0]=4 101 B14R2.4529 CC1=CC=C2NC(C(N)=O)=CC2=C1 MC107564 [0,0,1,1,0,0|1,0,0]=3 102 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)O1 MC441164 [0,0,1,1,0,0|2,0,0]=4 103 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)O1 MC441171 [0,0,1,1,0,0|2,0,0]=4 104 B14R2.4529 O=C(O)C1=CC2=C(C=CC(F)=C2)O1 MC441172 [0,0,1,1,0,0|2,0,0]=4 105 B14R2.7969 CC1=CC=CC2=C1OC(C(=O)O)=C2 MC441311 [0,0,1,1,0,0|1,0,0]=3 106 B14R2.7969 CC1=CC=CC2=C1SC(C(=O)O)=C2 MC441142 [0,0,1,1,0,0|1,1,0]=4 107 B14R2.7969 NC1=CC=CC2=C1OC(C(=O)O)=C2 MC431602 [0,0,1,1,0,0|2,0,0]=4 108 B14R2.7969 O=C(O)C1=CC2=C(O1)C(Br)=CC=C2 MC441300 [0,0,1,1,0,0|2,0,0]=4 109 B14R2.7969 O=C(O)C1=CC2=C(O1)C(F)=CC=C2 MC441298 [0,0,1,1,0,0|2,0,0]=4 110 B12R1.24 NC1=C(C(=O)C=O)C=CC=C1F MC434029 [0,0,1,0,1,0|1,0,1]=4 111 B12R1.124 O=C(O)C(=O)C1=C(Br)C=CC=C1 CS16464 [0,0,1,0,1,0|2,0,0]=4 112 B12R2.202 CC1=C2CC(=O)NC2=CC=C1 CS22978 [1,0,0,0,1,0|2,0,0]=4 113 B12R2.202 CC1=CC=CC2=C1NC(=S)S2 MC31091 [1,0,0,0,1,0|1,1,0]=4 114 B12R2.202 O=C1CC2=CC=CC(Br)=C2N1 CS14679 [1,0,0,0,1,0|1,0,1]=4 115 B12R2.202 O=C1CC2=CC=CC(Cl)=C2N1 MC10111 [1,0,0,0,1,0|1,0,1]=4 116 B12R2.202 O=C1CC2=CC=CC(F)=C2N1 MC10168 [1,0,0,0,1,0|1,0,1]=4 117 B12R2.202 O=C1NC2=C(C=CC=C2Cl)S1 MC31137 [1,0,0,0,1,0|2,0,0]=4 118 B12R2.202 O=C1NC2=C(C=CC=C2F)S1 CS15435 [1,0,0,0,1,0|2,0,0]=4 119 B12R2.18 O=C1NC2=CC=CC=C2C1=O CS11506 [1,0,0,0,1,0|0,0,1]=3 120 B12R2.196 NC1=C2NC=C(Cl)C2=CC=C1 MC111125 [1,0,0,0,1,0|2,0,0]=4 121 B12R2.612 CN1C=CC2=CC(O)=CC=C21 MC102986 [1,0,0,0,1,0|2,0,0]=4 122 B12R2.612 CN1C=CC2=CC(O)=CN=C21 MC425497 [1,0,0,0,1,0|1,0,1]=4 123 B14R1.337 CC1=C(CC(=O)CC(=O)O)C=CC=C1 MC105953 [0,0,1,0,0,1|2,0,0]=4