0 B11R1.16 CCOC(=O)C1=NC=CC=N1 CS-W022718 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.16 N#CCC(=O)C1=CC=CC=C1 CS-W004658 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.16 [C@H](O)(CCCl)C1=CC=CC=C1 CS-W017667 [0,0,0,0,0,0|2,0,2]=4 3 B10R1.15 C=CS(=O)C1=CC=CC=C1 CS-0081516 [1,0,0,0,0,0|1,0,2]=4 4 B10R1.15 COC(=O)C1=CC=NC=C1 CS-D1405 [1,0,0,0,0,0|1,0,0]=2 5 B10R1.15 COC(=O)C1=NC=CC=N1 CS-M2690 [1,0,0,0,0,0|2,0,0]=3 6 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 CS-W007718 [1,0,0,0,0,0|1,0,2]=4 7 B10R1.15 N[C@H](CO)C1=CC=CC=C1 CS-W008706 [1,0,0,0,0,0|2,0,1]=4 8 B10R1.17 CCNCC1=CC=CC=C1 CS-W013340 [1,0,0,0,0,0|1,0,1]=3 9 B10R1.17 NCCNC1=CC=CC=C1 CS-0045385 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.17 OCC#CC1=CC=CC=C1 CS-W007420 [1,0,0,0,0,0|2,0,1]=4 11 B12R1.16 CCOC(=O)C1=CC=C(C)C=C1 CS-W020602 [0,1,0,0,0,0|0,0,0]=1 12 B12R1.16 CCOC(=O)C1=CC=C(C)N=C1 CS-0040862 [0,1,0,0,0,0|1,0,0]=2 13 B12R1.16 CCOC(=O)C1=CC=C(F)C=C1 CS-W017810 [0,1,0,0,0,0|0,0,0]=1 14 B12R1.16 CCOC(=O)C1=CN=C(Cl)C=C1 CS-W002340 [0,1,0,0,0,0|1,0,0]=2 15 B12R1.16 CCOC(=O)C1=CNC(=O)C=C1 CS-0029520 [0,1,0,0,0,0|1,0,0]=2 16 B12R1.16 CCOC(=O)C1=NC=C(C)C=C1 CS-0019228 [0,1,0,0,0,0|1,0,0]=2 17 B12R1.16 N#CCC(=O)C1=CC=C(Cl)C=C1 CS-M2755 [0,1,0,0,0,0|2,0,1]=4 18 B12R1.16 O=C(CCCl)C1=CC=C(F)C=C1 CS-0031428 [0,1,0,0,0,0|2,0,0]=3 19 B12R1.17 CCNC(=O)C1=CC(Br)=CN=C1 CS-0046807 [0,1,0,0,0,0|2,0,0]=3 20 B12R1.17 CCOC(=O)C1=CC(Cl)=NC=C1 CS-W019303 [0,1,0,0,0,0|1,0,0]=2 21 B12R1.17 CCOC(=O)C1=NC(N)=CC=C1 CS-W005977 [0,1,0,0,0,0|1,0,0]=2 22 B12R1.17 N#CCC(=O)C1=CC(Cl)=CC=C1 CS-W019269 [0,1,0,0,0,0|2,0,1]=4 23 B12R1.39 O=S(=O)(CCCl)C1=CC=CC=C1 CS-M0047 [0,1,0,0,0,0|3,0,0]=4 24 B12R1.308 CCNC(=O)C1=C(Br)C=CC=C1 CS-0037638 [0,1,0,0,0,0|1,0,0]=2 25 B12R1.308 CCOC(=O)C1=C(C)N=CC=C1 CS-W010821 [0,1,0,0,0,0|1,0,0]=2 26 B12R1.308 CCOC(=O)C1=CC=NN=C1C CS-W020487 [0,1,0,0,0,0|2,0,0]=3 27 B12R1.308 CCOC(=O)C1=NC=CC=C1Br CS-0041849 [0,1,0,0,0,0|1,0,0]=2 28 B12R2.2 C1=CC=C(C2CCCN2)C=C1 CS-W008926 [0,0,0,1,0,0|2,0,1]=4 29 B12R2.116 NC1(C2=CC=CC=C2)CCC1 CS-W021366 [0,0,0,1,0,0|2,0,1]=4 30 B12R2.1081 O=C1C=NNC2=C1C=CC=C2 CS-W022612 [0,0,0,1,0,0|3,0,0]=4 31 B12R2.1081 O=C1CCCC2=C1C=NC=C2 CS-W022438 [0,0,0,1,0,0|2,0,0]=3 32 B12R2.1081 O=C1CCCC2=CC=CC=C12 CS-D0598 [0,0,0,1,0,0|1,0,0]=2 33 B12R2.2028 O=C1CC(=O)C2=CC=CC=C12 CS-W007948 [0,0,0,1,0,0|2,0,1]=4 34 B12R2.2028 O=C1OC(=O)C2=CN=CC=C12 CS-W007774 [0,0,0,1,0,0|2,0,1]=4 35 B12R2.2028 O=C1[N-]C(=O)C2=C1C=CC=C2 CS-0015141 [0,0,0,1,0,0|2,0,1]=4 36 B10R1.11 CCOC(=O)C1=CC=NO1 CS-0044017 [0,0,0,0,1,0|2,0,0]=3 37 B10R1.11 CCOC(=O)C1=CN=CS1 CS-W005172 [0,0,0,0,1,0|2,0,0]=3 38 B10R1.11 CCOC(=O)C1=COC=N1 CS-D0848 [0,0,0,0,1,0|2,0,0]=3 39 B9R1.6 CC(=O)C1=NC=CC=C1 CS-W008602 [2,0,0,0,0,0|1,0,0]=3 40 B9R1.6 CS(=O)C1=CC=CC=C1 CS-0046805 [2,0,0,0,0,0|1,0,0]=3 41 B9R1.6 C[C@H](N)C1=CC=CC=C1 CS-W019840 [2,0,0,0,0,0|1,0,1]=4 42 B9R1.6 O=C(O)C1=NC=CC=N1 CS-D0763 [2,0,0,0,0,0|2,0,0]=4 43 B9R1.6 O=C(O)C1=NN=CC=C1 CS-W004823 [2,0,0,0,0,0|2,0,0]=4 44 B9R1.6 O=S([O-])C1=CC=CC=C1 CS-W014314 [2,0,0,0,0,0|1,0,1]=4 45 B9R1.8 BrCCC1=CC=CC=C1 CS-W019955 [2,0,0,0,0,0|1,0,1]=4 46 B9R1.8 CNCC1=CC=CC=C1 CS-W007426 [2,0,0,0,0,0|1,0,1]=4 47 B9R1.8 C\C=C\C1=CC=CC=C1 CS-0069845 [2,0,0,0,0,0|0,0,1]=3 48 B9R1.8 NOCC1=CC=CC=C1 CS-W008955 [2,0,0,0,0,0|1,0,1]=4 49 B9R1.8 O\N=C\C1=CC=CC=C1 CS-0034180 [2,0,0,0,0,0|2,0,0]=4 50 B11R1.12 COC(CO)C1=CC=CC=C1 CS-0028761 [1,1,0,0,0,0|0,0,2]=4 51 B11R1.12 COC(OC)C1=CC=CC=C1 CS-Z0014 [1,1,0,0,0,0|0,0,2]=4 52 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 CS-W007335 [1,1,0,0,0,0|1,0,0]=3 53 B11R1.22 CCC(=O)C1=CC=C(F)C=C1 CS-0059258 [1,1,0,0,0,0|0,0,0]=2 54 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 CS-W018773 [1,1,0,0,0,0|1,0,0]=3 55 B11R1.22 COC(=O)C1=CC=C(C)C=C1 CS-0008417 [1,1,0,0,0,0|0,0,0]=2 56 B11R1.22 COC(=O)C1=CC=C(C)C=C1 CS-M1189 [1,1,0,0,0,0|0,0,0]=2 57 B11R1.22 COC(=O)C1=COC(=O)C=C1 CS-W008753 [1,1,0,0,0,0|1,0,0]=3 58 B11R1.22 COC(=O)C1=NC=C(Br)C=C1 CS-D0954 [1,1,0,0,0,0|1,0,0]=3 59 B11R1.22 COC(=O)C1=NC=C(Br)N=C1 CS-W019731 [1,1,0,0,0,0|2,0,0]=4 60 B11R1.22 COC(=O)C1=NC=C(O)C=C1 CS-W005963 [1,1,0,0,0,0|1,0,0]=3 61 B11R1.23 CC1=CC=CC(C(=O)NN)=C1 CS-B1331 [1,1,0,0,0,0|2,0,0]=4 62 B11R1.23 COC(=O)C1=CC(Br)=CC=C1 CS-W005465 [1,1,0,0,0,0|0,0,0]=2 63 B11R1.23 COC(=O)C1=CC(Cl)=NC=C1 CS-W004976 [1,1,0,0,0,0|1,0,0]=3 64 B11R1.23 O=C(CBr)C1=CC(O)=CC=C1 CS-W014906 [1,1,0,0,0,0|1,0,0]=3 65 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 CS-W019544 [1,1,0,0,0,0|0,0,1]=3 66 B11R1.36 O=C(C1=CC=CC=C1)C(F)F CS-0095863 [1,1,0,0,0,0|1,0,0]=3 67 B11R1.222 COC(=O)C1=C(C)N=CC=N1 CS-W023218 [1,1,0,0,0,0|2,0,0]=4 68 B11R1.222 COC(=O)C1=CC=CC=C1N CS-W019645 [1,1,0,0,0,0|0,0,0]=2 69 B11R1.222 COC(=O)C1=NC=CC=C1N CS-W009043 [1,1,0,0,0,0|1,0,0]=3 70 B11R1.222 COC(=O)C1=NC=CN=C1I CS-0041319 [1,1,0,0,0,0|2,0,0]=4 71 B11R1.222 COC(=O)C1=NC=CN=C1N CS-D1517 [1,1,0,0,0,0|2,0,0]=4 72 B11R1.1 CCCOC1=CC=C(N)C=C1 CS-0038837 [1,1,0,0,0,0|2,0,0]=4 73 B11R1.15 CCOC(=O)C1=CNC(=N)O1 CS-W006234 [0,1,0,0,1,0|2,0,0]=4 74 B11R1.15 CCOC(=O)C1=CNC(C)=C1 CS-0103971 [0,1,0,0,1,0|1,0,0]=3 75 B11R1.199 CCOC(=O)C1=C(Br)SC=C1 CS-0041734 [0,1,0,0,1,0|1,0,0]=3 76 B11R1.199 CCOC(=O)C1=C(C)NC=C1 CS-D1657 [0,1,0,0,1,0|1,0,0]=3 77 B11R1.199 CCOC(=O)C1=C(N)C=CN1 CS-W019026 [0,1,0,0,1,0|1,0,0]=3 78 B11R1.199 CCOC(=O)C1=C(N)ON=C1 CS-0044461 [0,1,0,0,1,0|2,0,0]=4 79 B11R1.199 CCOC(=O)C1=CNN=C1Br CS-W019602 [0,1,0,0,1,0|2,0,0]=4 80 B11R1.199 CCOC(=O)C1=CNN=C1O CS-W018871 [0,1,0,0,1,0|2,0,0]=4 81 B11R1.199 CCOC(=O)C1=NC=CN1C CS-W008062 [0,1,0,0,1,0|2,0,0]=4 82 B11R1.199 CCOC(=O)C1=NNC=C1I CS-W005420 [0,1,0,0,1,0|2,0,0]=4 83 B13R1.19 CCOC(=O)CC1=CC=C(Br)C=C1 CS-W018540 [0,1,0,0,0,1|0,0,0]=2 84 B13R1.19 CCOC(=O)CC1=CC=C(F)C=C1 CS-W022645 [0,1,0,0,0,1|0,0,0]=2 85 B13R1.19 CCOC(=O)CC1=CC=C(N)C=C1 CS-0043119 [0,1,0,0,0,1|0,0,0]=2 86 B13R1.20 CCOC(=O)CC1=CC=CC(O)=C1 CS-0030409 [0,1,0,0,0,1|0,0,0]=2 87 B13R1.348 CC(C)CC(=O)CC1=CC=CC=C1 CS-W022210 [0,1,0,0,0,1|1,0,0]=3 88 B13R1.470 CCOC(=O)CC1=C(O)N=CN=C1 CS-W022646 [0,1,0,0,0,1|2,0,0]=4 89 B13R1.470 CCOC(=O)CC1=NC=CC=C1Br CS-0041501 [0,1,0,0,0,1|1,0,0]=3 90 B13R1.17 O=C(CCCCl)C1=CC=C(O)C=C1 CS-W006588 [0,2,0,0,0,0|1,0,0]=3 91 B13R1.29 CCOS(=O)(=O)C1=CC=C(C)C=C1 CS-W015611 [0,2,0,0,0,0|1,0,0]=3 92 B13R1.466 CCOC(=O)C1=CC(F)=C(Cl)C=C1 CS-0042795 [0,2,0,0,0,0|0,0,0]=2 93 B13R1.466 CCOC(=O)C1=CC(N)=C(F)C=C1 CS-W022669 [0,2,0,0,0,0|0,0,0]=2 94 B13R1.466 CCOC(=O)C1=CC(N)=C(N)C=C1 CS-M1560 [0,2,0,0,0,0|0,0,0]=2 95 B13R1.466 CCOC(=O)C1=CC(O)=C(O)C=C1 CS-W017125 [0,2,0,0,0,0|0,0,0]=2 96 B13R1.466 CCOC(=O)C1=CC=C(F)C(F)=C1 CS-0042769 [0,2,0,0,0,0|0,0,0]=2 97 B13R1.466 CCOC(=O)C1=CC=C(N)C(Cl)=C1 CS-0042861 [0,2,0,0,0,0|0,0,0]=2 98 B13R1.466 CCOC(=O)C1=NC=C(C)C(Cl)=C1 CS-W018906 [0,2,0,0,0,0|1,0,0]=3 99 B13R1.1511 CCOC(=O)C1=CC=C(Cl)N=C1Cl CS-0094675 [0,2,0,0,0,0|1,0,0]=3 100 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=CNC(=O)N=C1O CS-0042918 [0,2,0,0,0,0|2,0,0]=4 102 B13R1.446 CCOC(=O)C1=CC(Br)=CC=C1F CS-0041473 [0,2,0,0,0,0|0,0,0]=2 103 B13R1.446 CCOC(=O)C1=NC(Br)=CC=C1Br CS-0041079 [0,2,0,0,0,0|1,0,0]=3 104 B13R1.122 C#CCOS(=O)(=O)C1=CC=CC=C1 CS-W010595 [0,2,0,0,0,0|1,0,1]=4 105 B13R1.352 CS(=O)(=O)CC(=O)C1=CC=CC=C1 CS-0079889 [0,2,0,0,0,0|2,0,0]=4 106 B13R1.4453 CCOC(=O)C1=C(Br)C=CC=C1F CS-W022657 [0,2,0,0,0,0|0,0,0]=2 107 B11R2.1 NC1=NCC2=C1C=CC=C2 CS-0102029 [1,0,0,1,0,0|2,0,0]=4 108 B11R2.1 N[C@H]1CCC2=CC=CC=C21 CS-M1707 [1,0,0,1,0,0|1,0,1]=4 109 B11R2.1 O=C1CCC2=C1C=CC=N2 CS-W005016 [1,0,0,1,0,0|1,0,0]=3 110 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 CS-W013372 [1,0,0,1,0,0|0,0,2]=4 111 B11R2.40 NC1(C2=CC=CC=C2)CC1 CS-B0486 [1,0,0,1,0,0|1,0,1]=4 112 B11R2.20 C1=CC2=C(C=C1)NCCC2 CS-D1404 [1,0,0,1,0,0|2,0,0]=4 113 B11R2.106 O=C1CCCC2=C1C=CS2 CS-M2369 [0,0,0,1,1,0|2,0,0]=4 114 B13R2.328 O=C1NC2=CC=CC=C2C(=O)O1 CS-M0780 [0,0,0,1,0,1|1,0,1]=4 115 B13R2.2931 CN1N=C(C=O)C2=C1C=CC=C2 CS-W021348 [0,1,0,1,0,0|2,0,0]=4 116 B13R2.5179 NC1=CC2=C(C=C1)C(=O)CCC2 CS-W008519 [0,1,0,1,0,0|1,0,0]=3 117 B13R2.5187 O=C1OC(=O)C2=C1C=CC(Cl)=C2 CS-W019466 [0,1,0,1,0,0|1,0,1]=4 118 B13R2.5187 O=C1OC(=O)C2=C1C=CC(F)=C2 CS-W016065 [0,1,0,1,0,0|1,0,1]=4 119 B13R2.5187 O=C1OC(=O)C2=C1C=CC(O)=C2 CS-W022391 [0,1,0,1,0,0|1,0,1]=4 120 B13R2.162 O=C1CCCC2=C1C=C(Br)C=C2 CS-B0119 [0,1,0,1,0,0|1,0,0]=3 121 B13R2.162 O=C1CCCC2=C1C=C(F)C=C2 CS-W022540 [0,1,0,1,0,0|1,0,0]=3 122 B13R2.162 O=C1CCOC2=CC=C(F)C=C12 CS-W010813 [0,1,0,1,0,0|2,0,0]=4 123 B13R2.162 O=C1NCCC2=C1C=C(Cl)C=C2 CS-0036532 [0,1,0,1,0,0|1,0,0]=3 124 B13R2.162 O=C1NCCC2=C1C=C(O)C=C2 CS-W022543 [0,1,0,1,0,0|1,0,0]=3 125 B13R2.342 O=C1CCCC2=C1C=CC=C2Br CS-W004788 [0,1,0,1,0,0|1,0,0]=3 126 B13R2.342 O=C1CCCC2=C1C=CC=C2F CS-B0543 [0,1,0,1,0,0|1,0,0]=3 127 B13R2.342 O=C1NCCC2=C1C=CC=C2Br CS-W006085 [0,1,0,1,0,0|1,0,0]=3 128 B13R2.12159 O=C1OS(=O)(=O)C2=CC=CC=C12 CS-0066044 [0,1,0,1,0,0|2,0,0]=4 129 B13R2.18 BrC1=CC=CC=C1C2OCCO2 CS-0096855 [0,1,0,1,0,0|0,0,2]=4 130 B9R1.11 COC(=O)C1=CSC=C1 CS-W007570 [1,0,0,0,1,0|1,0,0]=3 131 B13R1.42 CCOC(=O)C#CC1=CC=CC=C1 CS-0066796 [0,0,0,0,0,2|0,0,0]=2 132 B13R1.42 CCOC(=O)COC1=CC=CC=C1 CS-0037469 [0,0,0,0,0,2|0,0,0]=2 133 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 CS-W020629 [0,0,0,0,0,2|0,0,0]=2 134 B13R1.42 CNCC(=O)OCC1=CC=CC=C1 CS-0079911 [0,0,0,0,0,2|2,0,0]=4