0 B12R1.5 C#CC(=O)C1=CC=C(OC)C=C1 CS-0527604 [0,0,0,0,0,0|1,0,1]=2 1 B12R1.5 CCC(N)C1=CC=C(OC)C=C1 CS-0216678 [0,0,0,0,0,0|2,0,1]=3 2 B12R1.5 CCC1=CC=C(C(=O)C=O)C=C1 CS-0441475 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.5 CNC(=O)C1=CC=C(OC)C=C1 CS-0061778 [0,0,0,0,0,0|1,0,0]=1 4 B12R1.5 COC(=O)C1=CC=C(OC)C=N1 CS-0048973 [0,0,0,0,0,0|1,0,0]=1 5 B12R1.5 COC1=CC=C(S(=O)O[Na])C=C1 CS-0647615 [0,0,0,0,0,0|2,0,0]=2 6 B12R1.5 COC1=CC=C([C@H](N)CO)C=C1 CS-0542227 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.3 C#CC1=CN=C(C(C)=O)C=C1 CS-0609792 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.3 CCC1=CC=C(B(O)O)C=C1 CS-W018163 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.3 CCC1=CC=C(C(C)N)C=C1 CS-0446774 [1,0,0,0,0,0|2,0,1]=4 10 B11R1.3 CCC1=CC=C(C(C)O)C=C1 CS-0451316 [1,0,0,0,0,0|1,0,2]=4 11 B11R1.3 CCC1=CC=C(C(N)=S)C=C1 CS-W010819 [1,0,0,0,0,0|2,1,0]=4 12 B11R1.3 CNC1=CC=C(C(N)=O)C=C1 CS-0927405 [1,0,0,0,0,0|2,0,0]=3 13 B11R1.3 COC1=CC=C(C(N)=O)N=C1 CS-0082328 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.3 COC1=NC=C(C(C)N)C=C1 CS-0243493 [1,0,0,0,0,0|2,0,1]=4 15 B11R1.3 COC1=NC=C([C@H](C)N)C=C1 CS-0187941 [1,0,0,0,0,0|2,0,1]=4 16 B11R1.3 COC1=NC=C([C@H](C)N)C=C1 CS-0884875 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.3 CSC1=CC=C(C(C)=O)C=N1 CS-0888259 [1,0,0,0,0,0|1,1,0]=3 18 B11R1.3 O=C(O)C1=CN=C(CCl)C=C1 CS-0447014 [1,0,0,0,0,0|3,0,0]=4 19 B11R1.22 CC1=CC=C(\C(C)=N\O)C=C1 CS-0324021 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.22 COC(=O)C1=CN=C(N)C=N1 CS-0049007 [1,0,0,0,0,0|3,0,0]=4 21 B11R1.22 NC1=CC=C(C(=O)NO)C=C1 CS-0459768 [1,0,0,0,0,0|3,0,0]=4 22 B11R1.22 NC1=CC=C(C(=O)O[K])C=C1 CS-0013318 [1,0,0,0,0,0|2,0,0]=3 23 B11R1.22 NCC(=O)C1=CC=C(I)C=C1 CS-0764716 [1,0,0,0,0,0|3,0,0]=4 24 B11R1.22 NCC(=O)C1=CC=C(O)C=C1 CS-0168493 [1,0,0,0,0,0|2,0,0]=3 25 B13R1.95 C#CC1=CC=C(C(=O)OC)C(O)=C1 CS-0498779 [0,1,0,0,0,0|1,0,1]=3 26 B13R1.95 CC[C@@H](N)C1=C(C)C=C(OC)C=C1 CS-0690550 [0,1,0,0,0,0|2,0,1]=4 27 B13R1.95 CNC1=CC=C(C(=O)OC)C(Cl)=C1 CS-0638884 [0,1,0,0,0,0|1,0,0]=2 28 B13R1.95 COC(=O)C1=C(N)N=C(OC)C=C1 CS-0150239 [0,1,0,0,0,0|1,0,0]=2 29 B13R1.95 COC(=O)C1=CC=C(C#N)N=C1C CS-0533113 [0,1,0,0,0,0|3,0,0]=4 30 B13R1.95 COC(=O)C1=CC=C(C=O)C=C1Br CS-0101086 [0,1,0,0,0,0|2,0,0]=3 31 B13R1.95 COC(=O)C1=NC=C(OC)N=C1Cl CS-0533176 [0,1,0,0,0,0|2,0,0]=3 32 B13R1.452 C=C=CC(=O)C1=CC=C(OC)C=C1 CS-0616891 [0,1,0,0,0,0|1,0,1]=3 33 B13R1.537 COC(=O)C1=CC=C(C(C)C)C=C1 CS-0449302 [0,1,0,0,0,0|1,0,0]=2 34 B13R1.537 COC(=O)C1=CC=C(C(F)F)N=C1 CS-0158905 [0,1,0,0,0,0|3,0,0]=4 35 B13R1.537 COC(=O)C1=CN=C(C(C)N)C=C1 CS-0784123 [0,1,0,0,0,0|2,0,0]=3 36 B13R1.537 COC(=O)C1=CN=C(N(C)C)C=N1 CS-0483955 [0,1,0,0,0,0|3,0,0]=4 37 B13R1.537 O=C(O[Na])C1=CC=C([N+](=O)[O-])C=C1 CS-0187638 [0,1,0,0,0,0|3,0,0]=4 38 B13R1.3088 CNC1=CC=C(C(=O)OC)C=C1C CS-0455037 [0,1,0,0,0,0|1,0,0]=2 39 B13R1.3088 COC(=O)C1=CC=C(C=O)C(N)=C1 CS-0310592 [0,1,0,0,0,0|2,0,0]=3 40 B13R1.3088 COC(=O)C1=CC=C(CN)C(C)=C1 CS-1136562 [0,1,0,0,0,0|2,0,0]=3 41 B13R1.3088 COC(=O)C1=CC=C(CN)C(F)=C1 CS-0640699 [0,1,0,0,0,0|2,0,0]=3 42 B13R1.3088 COC(=O)C1=NC=C(C#N)C(Cl)=C1 CS-0616830 [0,1,0,0,0,0|3,0,0]=4 43 B13R2.2130 COC1=CC2=C(C=C1)[C@H](N)CC2 CS-0162157 [0,0,0,1,0,0|2,0,1]=4 44 B11R1.44 COC(=O)C1=CC(CO)=CN1 CS-0099238 [0,0,0,0,1,0|3,0,0]=4 45 B11R1.44 COC(=O)C1=CC=C(CN)O1 CS-0118895 [0,0,0,0,1,0|3,0,0]=4 46 B11R1.44 COC(=O)C1=CC=C(CN)S1 CS-0289666 [0,0,0,0,1,0|3,0,0]=4 47 B11R1.44 COC(=O)C1=CC=C(OC)O1 CS-0636250 [0,0,0,0,1,0|1,0,0]=2 48 B10R1.3 CSC1=CC=C(CO)C=C1 CS-W014397 [2,0,0,0,0,0|0,1,1]=4 49 B10R1.13 CC1=CC=C([C@H](C)O)C=C1 CS-0222820 [2,0,0,0,0,0|0,0,2]=4 50 B10R1.13 CN(C)C1=CC=C(O)C=C1 CS-0037689 [2,0,0,0,0,0|2,0,0]=4 51 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 CS-0103184 [2,0,0,0,0,0|1,0,1]=4 52 B10R1.13 O=C(O)C1=CC=C(I)C=C1 CS-W014112 [2,0,0,0,0,0|1,0,0]=3 53 B10R1.15 C#CC(=O)C1=CC=CC=C1 CS-0072550 [2,0,0,0,0,0|1,0,1]=4 54 B10R1.15 CCC(=O)C1=CN=CC=C1 CS-W013351 [2,0,0,0,0,0|2,0,0]=4 55 B12R1.48 CC(=O)C1=CC=C(C#N)C(Cl)=C1 CS-0376292 [1,1,0,0,0,0|2,0,0]=4 56 B12R1.48 CC1=CC(C(=O)O)=CC=C1CN CS-1174475 [1,1,0,0,0,0|2,0,0]=4 57 B12R1.48 CCC1=C(Br)C=C(C(C)=O)C=C1 CS-0461579 [1,1,0,0,0,0|1,0,0]=3 58 B12R1.48 COC1=C(C)N=C(C(=O)O)C=C1 CS-0195565 [1,1,0,0,0,0|1,0,0]=3 59 B12R1.48 COC1=C(F)C=C([C@H](C)N)C=C1 CS-0000361 [1,1,0,0,0,0|1,0,1]=4 60 B12R1.48 COC1=C(I)N=C(C(=O)O)C=C1 CS-0308400 [1,1,0,0,0,0|1,0,0]=3 61 B12R1.48 COC1=CC=C(C(=N)N)C=C1F CS-0306045 [1,1,0,0,0,0|2,0,0]=4 62 B12R1.48 COC1=CC=C(C(C)=O)C=C1N CS-0227448 [1,1,0,0,0,0|0,0,0]=2 63 B12R1.48 COC1=CC=C([C@@H](C)O)C=C1Br CS-0251061 [1,1,0,0,0,0|0,0,2]=4 64 B12R1.113 CC(=O)C1=CC=C(CC#N)C=C1 CS-1048399 [1,1,0,0,0,0|1,0,1]=4 65 B12R1.113 CCCC1=CC=C(C(=O)O)C=C1 CS-0076861 [1,1,0,0,0,0|1,0,0]=3 66 B12R1.113 CNCC1=NC=C(C(=O)O)C=C1 CS-0890056 [1,1,0,0,0,0|2,0,0]=4 67 B12R1.113 CSCC1=CC=C(C(=O)O)C=C1 CS-0213028 [1,1,0,0,0,0|0,1,0]=3 68 B12R1.256 CC(=O)C1=CC=C(C(C)C)C=C1 CS-W010857 [1,1,0,0,0,0|1,0,0]=3 69 B12R1.256 O=C(O)C1=CC=C([N+](=O)[O-])C=C1 CS-B0814 [1,1,0,0,0,0|2,0,0]=4 70 B12R1.452 C#CC1=CC=C(C(=O)O)C(N)=C1 CS-0609643 [1,1,0,0,0,0|1,0,1]=4 71 B12R1.452 CC(=O)C1=C(Cl)C=C(C#N)C=C1 CS-0686287 [1,1,0,0,0,0|2,0,0]=4 72 B12R1.452 CCC1=CC=C(C(=O)O)C(C)=C1 CS-0775829 [1,1,0,0,0,0|1,0,0]=3 73 B12R1.452 CNC1=CC=C(C(=O)O)C(F)=C1 CS-0644200 [1,1,0,0,0,0|1,0,0]=3 74 B12R1.452 COC1=CC(C)=C([C@@H](C)N)C=C1 CS-0724363 [1,1,0,0,0,0|1,0,1]=4 75 B12R1.452 COC1=CC(Cl)=C(C(=O)O)N=C1 CS-0186810 [1,1,0,0,0,0|1,0,0]=3 76 B12R1.452 COC1=CC(Cl)=C([C@@H](C)N)C=C1 CS-0658959 [1,1,0,0,0,0|1,0,1]=4 77 B12R1.452 COC1=CC=C([C@@H](C)O)C(Br)=C1 CS-0649742 [1,1,0,0,0,0|0,0,2]=4 78 B12R1.452 COC1=CC=C([C@@H](C)O)C(F)=C1 CS-0266864 [1,1,0,0,0,0|0,0,2]=4 79 B12R1.452 COC1=CN=C(C(=O)O)C(Cl)=N1 CS-0836011 [1,1,0,0,0,0|2,0,0]=4 80 B12R1.452 COC1=CN=C(C(=O)O)C(N)=C1 CS-0094254 [1,1,0,0,0,0|1,0,0]=3 81 B12R1.452 COC1=NC(N)=C(C(=O)O)C=C1 CS-0150241 [1,1,0,0,0,0|1,0,0]=3 82 B12R1.452 COC1=NC(N)=C(C(=O)O)N=C1 CS-0199608 [1,1,0,0,0,0|2,0,0]=4 83 B12R1.452 N#CC1=CC=C(C(=O)O)C(N)=C1 CS-0102040 [1,1,0,0,0,0|2,0,0]=4 84 B12R1.9 CC1=CC=C(S(=O)(=O)O[Ag])C=C1 CS-0085621 [1,1,0,0,0,0|2,0,0]=4 85 B12R1.16 C=C=CC(=O)C1=CC=C(C)C=C1 CS-0616892 [1,1,0,0,0,0|1,0,1]=4 86 B12R1.16 CCCC(=O)C1=CC=C(O)C=C1 CS-0034666 [1,1,0,0,0,0|1,0,0]=3 87 B12R1.16 COCC(=O)C1=CC=C(Br)N=C1 CS-0652330 [1,1,0,0,0,0|2,0,0]=4 88 B12R1.20 CC(Br)C(=O)C1=CC=C(O)C=C1 CS-0105639 [1,1,0,0,0,0|1,0,0]=3 89 B12R1.20 CC(C)C(=O)C1=CC=C(F)C=C1 CS-0131584 [1,1,0,0,0,0|2,0,0]=4 90 B12R1.20 CC(Cl)C(=O)C1=CC=C(Br)C=C1 CS-0220226 [1,1,0,0,0,0|2,0,0]=4 91 B12R1.367 COC(=O)C1=CC(Cl)=C(C)N=C1 CS-0774343 [1,1,0,0,0,0|1,0,0]=3 92 B12R1.367 COC(=O)C1=CC(O)=C(Br)N=C1 CS-0568368 [1,1,0,0,0,0|2,0,0]=4 93 B12R1.367 COC(=O)C1=CC=C(Cl)C(C)=C1 CS-0131366 [1,1,0,0,0,0|1,0,0]=3 94 B12R1.367 COC(=O)C1=CN=C(Br)C(N)=C1 CS-0542368 [1,1,0,0,0,0|2,0,0]=4 95 B12R1.367 COC(=O)C1=CN=C(O)C(C)=C1 CS-0454754 [1,1,0,0,0,0|1,0,0]=3 96 B12R1.367 COC(=O)C1=NC(Br)=C(N)C=C1 CS-0144814 [1,1,0,0,0,0|2,0,0]=4 97 B12R1.367 COC(=O)C1=NC(Cl)=C(O)C=C1 CS-0534528 [1,1,0,0,0,0|1,0,0]=3 98 B12R1.367 COC(=O)C1=NC=C(N)C(N)=C1 CS-W022841 [1,1,0,0,0,0|2,0,0]=4 99 B12R1.367 NCC(=O)C1=CC=C(O)C(O)=C1 CS-0379782 [1,1,0,0,0,0|2,0,0]=4 100 B12R1.367 O=C(CCl)C1=CC(O)=C(O)C=C1 CS-W016884 [1,1,0,0,0,0|2,0,0]=4 101 B12R1.1703 CCC(=O)C1=C(Cl)C=C(Br)C=C1 CS-0723684 [1,1,0,0,0,0|2,0,0]=4 102 B12R1.1703 COC(=O)C1=C(C)C=C(C)C=C1 CS-0153337 [1,1,0,0,0,0|0,0,0]=2 103 B12R1.1703 COC(=O)C1=C(Cl)C=C(F)C=N1 CS-0312906 [1,1,0,0,0,0|2,0,0]=4 104 B12R1.1703 COC(=O)C1=CN=C(N)C=C1Cl CS-0160845 [1,1,0,0,0,0|2,0,0]=4 105 B12R1.1703 COC(=O)C1=NC=C(F)C=C1F CS-0147196 [1,1,0,0,0,0|2,0,0]=4 106 B12R1.1703 O=C(CBr)C1=C(O)C=C(O)C=C1 CS-0320604 [1,1,0,0,0,0|2,0,0]=4 107 B12R1.71 COC1=CC=C(\C=C\CO)C=C1 CS-0318412 [1,1,0,0,0,0|1,0,0]=3 108 B14R1.2879 COC(=O)OC1=CC=C([N+](=O)[O-])C=C1 CS-0569432 [0,1,0,0,0,1|2,0,0]=4 109 B14R1.487 COC(=O)C1=CC=C(CC#N)C=C1Br CS-0783991 [0,2,0,0,0,0|1,0,1]=4 110 B14R1.487 COC(=O)C1=CC=C(CC#N)C=C1F CS-0508605 [0,2,0,0,0,0|1,0,1]=4 111 B14R1.1128 COC(=O)C1=C(F)C=C(C(F)F)C=C1 CS-0746703 [0,2,0,0,0,0|2,0,0]=4 112 B14R1.1128 COC(=O)C1=CC=C(C(=O)O)C=C1N CS-0204366 [0,2,0,0,0,0|2,0,0]=4 113 B14R1.1128 COC(=O)C1=CC=C(C(C)=O)C=C1N CS-0521259 [0,2,0,0,0,0|1,0,0]=3 114 B14R1.2334 COC(=O)C1=CC=C(C=O)C=C1OC CS-0102767 [0,2,0,0,0,0|2,0,0]=4 115 B14R1.2334 COC(=O)C1=CN=C(OC)C=C1C=O CS-0534499 [0,2,0,0,0,0|1,0,0]=3 116 B14R1.65 COC(=O)C1=CC=C(C#CCN)C=C1 CS-0566430 [0,2,0,0,0,0|1,0,0]=3 117 B14R1.717 COC(=O)C1=CC=C(CC(C)O)C=C1 CS-1051727 [0,2,0,0,0,0|1,0,0]=3 118 B14R1.717 COC(=O)C1=NC=C(OC(F)F)C=C1 CS-0086121 [0,2,0,0,0,0|1,0,0]=3 119 B14R1.718 COC(=O)C1=CC=C(C(=O)CN)C=C1 CS-0374570 [0,2,0,0,0,0|1,0,0]=3 120 B14R1.2 COC1=CC=C(C(=O)C=C(C)C)C=C1 CS-1184911 [0,2,0,0,0,0|1,0,0]=3 121 B14R1.719 COC(=O)C1=CC=C(C(C)(C)N)C=C1 CS-0884915 [0,2,0,0,0,0|1,0,0]=3 122 B14R1.719 COC(=O)C1=CC=C(C(C)(F)F)C=C1 CS-0433989 [0,2,0,0,0,0|1,0,0]=3 123 B14R1.719 COC(=O)C1=CC=C(S(C)(=N)=O)C=C1 CS-0645618 [0,2,0,0,0,0|0,1,0]=3 124 B14R1.719 COC(=O)C1=CN=C(C(C)(C)O)C=C1 CS-0725457 [0,2,0,0,0,0|2,0,0]=4 125 B14R1.1864 COC1=CC=C(C(=O)NN)C=C1OC CS-0067928 [0,2,0,0,0,0|2,0,0]=4 126 B12R1.24 COC(=O)C1=CC=CC(C)=C1N CS-W020651 [0,0,1,1,0,0|2,0,0]=4 127 B12R2.612 O=C1NCC2=CC(I)=CC=C12 CS-0466975 [1,0,0,1,0,0|2,0,0]=4 128 B12R2.44 COC1=CC2=C(C=C1)NCC2 CS-0019194 [1,0,0,1,0,0|2,0,0]=4 129 B14R2.3274 COC1=CC2=C(C=C1)NC(C)=C2C CS-0531178 [0,0,0,1,0,1|2,0,0]=4 130 B14R2.1 COC1=CC=C(C2=COC=N2)C=C1 CS-0616883 [0,1,0,1,0,0|1,0,1]=4 131 B14R2.36882 COC1=CC2=C(C(=O)CC2)C(F)=C1 CS-0047421 [0,1,0,1,0,0|1,0,0]=3 132 B14R2.966 COC(=O)C1=CC2=C(C=C1)N=CO2 CS-0037045 [0,1,0,1,0,0|1,0,1]=4 133 B14R2.966 COC(=O)C1=CC=C2CCOC2=C1 CS-0045122 [0,1,0,1,0,0|1,0,0]=3 134 B14R2.1802 COC1=C(F)C2=C(C=C1)C(=O)CC2 CS-0661965 [0,1,0,1,0,0|1,0,0]=3 135 B10R1.31 COC1=CSC(C(=O)O)=C1 CS-0434710 [1,0,0,0,1,0|1,0,0]=3 136 B10R1.14 COC(=O)C1=CC(Cl)=CS1 CS-0049036 [1,0,0,0,1,0|2,0,0]=4 137 B10R1.14 COC(=O)C1=CN=C(C)S1 CS-0187478 [1,0,0,0,1,0|2,0,0]=4 138 B10R1.14 COC(=O)C1=CSC(C)=N1 CS-0152802 [1,0,0,0,1,0|2,0,0]=4 139 B12R1.49 CNC(=O)CC1=CC=C(O)C=C1 CS-0061780 [1,0,0,0,0,1|1,0,0]=3 140 B12R1.435 C#CC1=CC(C(=O)OC)=NC=C1 CS-0234165 [0,0,0,0,1,1|1,0,1]=4 141 B12R1.435 COC(=O)C1=CN=CC(C=O)=C1 CS-0048980 [0,0,0,0,1,1|2,0,0]=4 142 B12R1.435 COC(=O)C1=NC=CC(CBr)=C1 CS-0616843 [0,0,0,0,1,1|2,0,0]=4 143 B14R1.5 COC1=CC=C(COC(=O)NN)C=C1 CS-0315085 [0,0,0,0,0,2|2,0,0]=4