0 B12R1.252 O=C(O)CCCC1=CC=NC=C1 CS-0059802 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.252 [C@@H](C)(O)COCC1=CC=CC=C1 CS-W017736 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.28 CNCCOC1=CC=CC=C1 CS-0096259 [1,0,0,0,0,0|3,0,0]=4 3 B11R1.28 NCCCOC1=CC=CC=C1 CS-0046980 [1,0,0,0,0,0|2,0,1]=4 4 B13R1.45 CC(=O)COC(=O)C1=CC=CC=C1 CS-0110783 [0,1,0,0,0,0|2,0,1]=4 5 B13R1.158 O=C(O)CCOC1=CC=CC=C1Cl CS-0038126 [0,1,0,0,0,0|1,0,0]=2 6 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CC=C1 CS-0036819 [0,1,0,0,0,0|0,0,0]=1 7 B13R1.351 O=C(O)C(=O)OCC1=CC=CC=C1 CS-0100047 [0,1,0,0,0,0|1,0,1]=3 8 B13R1.718 COC(=O)C\N=C\C1=CC=CC=C1 CS-M1077 [0,1,0,0,0,0|1,0,1]=3 9 B13R1.718 N[C@@H](CO)COCC1=CC=CC=C1 CS-0089909 [0,1,0,0,0,0|2,0,1]=4 10 B13R2.10 C[C@H]1CCC(C2=CC=CC=C2)N1 CS-0053437 [0,0,0,1,0,0|2,0,1]=4 11 B13R2.10 O=C1CN=C(C2=CC=CC=C2)O1 CS-W017933 [0,0,0,1,0,0|1,0,1]=3 12 B13R2.10 O=C1NC(C2=CC=CC=C2)CO1 CS-0039132 [0,0,0,1,0,0|2,0,0]=3 13 B13R2.10 O=C1NC(C2=CC=CC=C2)CS1 CS-0050784 [0,0,0,1,0,0|2,0,0]=3 14 B13R2.10 S=C1N[C@H](C2=CC=CC=C2)CS1 CS-0053184 [0,0,0,1,0,0|2,1,0]=4 15 B13R2.31 O=C1CN(CC2=CC=CC=C2)C1 CS-0105735 [0,0,0,1,0,0|2,0,0]=3 16 B13R2.72 O=C(O)C1=C2C=CC=CC2=NO1 CS-0038171 [0,0,0,1,0,0|2,0,1]=4 17 B13R2.72 O=C(O)C1=C2C=CC=CC2=NS1 CS-0100832 [0,0,0,1,0,0|2,0,1]=4 18 B13R2.72 O=C(O)C1NCC2=C1C=CC=C2 CS-0113082 [0,0,0,1,0,0|1,0,0]=2 19 B13R2.163 O=C1CNCC2=CC=CC=C2N1 CS-0067387 [0,0,0,1,0,0|2,0,0]=3 20 B13R2.423 O=C(O)C1CC1C2=CC=CC=N2 CS-0060615 [0,0,0,1,0,0|1,0,0]=2 21 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 CS-0058719 [0,0,0,1,0,0|0,0,0]=1 22 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 CS-0058721 [0,0,0,1,0,0|0,0,0]=1 23 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 CS-0053575 [0,0,0,1,0,0|0,0,0]=1 24 B13R2.423 O=C(O)[C@H]1C[C@H]1C2=CC=CC=C2 CS-0053583 [0,0,0,1,0,0|0,0,0]=1 25 B11R1.91 NC(=O)CCC1=CC=CC=C1 CS-0037177 [0,0,0,0,1,0|1,0,0]=2 26 B11R1.91 O=C(O)C#CC1=CC=CC=N1 CS-0038414 [0,0,0,0,1,0|1,0,2]=4 27 B11R1.91 O=C(O)CCC1=CC=CC=N1 CS-0060616 [0,0,0,0,1,0|1,0,0]=2 28 B11R1.91 O=C(O)CCC1=CN=NC=C1 CS-0051661 [0,0,0,0,1,0|2,0,0]=3 29 B11R1.91 O=C(O)CCC1=NN=CC=C1 CS-0051662 [0,0,0,0,1,0|2,0,0]=3 30 B13R1.337 OB(O)CCCCC1=CC=CC=C1 CS-0089111 [0,0,0,0,0,1|1,0,1]=3 31 B10R1.17 C=COCC1=CC=CC=C1 CS-0049793 [2,0,0,0,0,0|1,0,1]=4 32 B10R1.17 O=CCSC1=CC=CC=C1 CS-0102366 [2,0,0,0,0,0|1,0,0]=3 33 B10R1.17 O=CNCC1=CC=CC=C1 CS-0009966 [2,0,0,0,0,0|1,0,0]=3 34 B10R1.17 OCCCC1=CCC=CC1 CS-0015961 [2,0,0,0,0,0|0,0,2]=4 35 B12R1.1 NC1=CC=C(CCCCO)C=C1 CS-0099969 [1,1,0,0,0,0|0,0,1]=3 36 B12R1.1 NCCCCC1=CC=C(Cl)C=C1 CS-0059809 [1,1,0,0,0,0|1,0,1]=4 37 B12R1.1 OCCCCC1=CC=C(Br)C=C1 CS-0100034 [1,1,0,0,0,0|0,0,1]=3 38 B12R1.8 C#CCNCCC1=CC=CC=C1 CS-0094897 [1,1,0,0,0,0|1,0,1]=4 39 B12R1.8 C=CCCNCC1=CC=CC=C1 CS-0035925 [1,1,0,0,0,0|1,0,0]=3 40 B12R1.8 NCCCCCC1=CC=CC=C1 CS-0096226 [1,1,0,0,0,0|1,0,1]=4 41 B12R1.8 OCCCNCC1=CC=CC=C1 CS-0038216 [1,1,0,0,0,0|0,0,1]=3 42 B12R1.8 OCCC\C=C\C1=CC=CC=C1 CS-0078210 [1,1,0,0,0,0|0,0,2]=4 43 B12R1.27 NCC(F)CCC1=CC=CC=C1 CS-0106176 [1,1,0,0,0,0|1,0,1]=4 44 B12R1.32 NCCC(F)CC1=CC=CC=C1 CS-0106177 [1,1,0,0,0,0|1,0,1]=4 45 B12R1.21 CC1=CC=C(CCC(=O)O)C=N1 CS-0037502 [0,1,0,0,1,0|1,0,0]=3 46 B12R1.21 CC1=CC=C(CCC(=O)O)N=C1 CS-0038739 [0,1,0,0,1,0|1,0,0]=3 47 B12R1.21 NC(=O)CCC1=CC=C(N)C=C1 CS-0096223 [0,1,0,0,1,0|1,0,0]=3 48 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 CS-0072209 [0,1,0,0,1,0|0,0,0]=2 49 B12R1.21 O=C(O)\C=C\C1=CC=C(I)C=C1 CS-0088991 [0,1,0,0,1,0|0,0,2]=4 50 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O CS-0106156 [0,1,0,0,1,0|0,0,0]=2 51 B12R1.43 NC(CC1=CC=NC=C1)C(=O)O CS-0035623 [0,1,0,0,1,0|1,0,0]=3 52 B12R1.43 NC(CC1=CC=NC=C1)C(=O)O CS-0038773 [0,1,0,0,1,0|1,0,0]=3 53 B12R1.43 O=C(O)C(Br)CC1=CC=CC=C1 CS-0060520 [0,1,0,0,1,0|0,0,0]=2 54 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 CS-0099849 [0,1,0,0,1,0|1,0,0]=3 55 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 CS-0106072 [0,1,0,0,1,0|0,0,0]=2 56 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 CS-0066979 [0,1,0,0,1,0|0,0,0]=2 57 B12R1.125 C(C(=O)O)=CC1=CC=CC=C1Br CS-W014204 [0,1,0,0,1,0|0,0,2]=4 58 B12R1.125 CC(=O)SCC1=CC=CC=C1Cl CS-0036273 [0,1,0,0,1,0|2,0,0]=4 59 B12R1.125 CC1=CC=NC=C1CCC(=O)O CS-0035484 [0,1,0,0,1,0|1,0,0]=3 60 B12R1.125 CC1=CN=CC=C1CCC(=O)O CS-0037905 [0,1,0,0,1,0|1,0,0]=3 61 B12R1.125 CC1=NC=CC=C1CCC(=O)O CS-0038252 [0,1,0,0,1,0|1,0,0]=3 62 B12R1.226 CC(=O)NCC1=CC(N)=CC=C1 CS-0098160 [0,1,0,0,1,0|2,0,0]=4 63 B14R1.677 CC(O)CNCCC1=CC=C(Cl)C=C1 CS-M1983 [0,1,0,0,0,1|1,0,1]=4 64 B14R1.677 CC(O)CNCCC1=CC=C(Cl)C=C1 CS-M1984 [0,1,0,0,0,1|1,0,1]=4 65 B14R1.677 CC1=CC=C(CSCCC(=O)O)C=C1 CS-0061306 [0,1,0,0,0,1|0,0,0]=2 66 B14R1.677 O=C(O)CCCOC1=CC=C(Br)C=C1 CS-0059799 [0,1,0,0,0,1|0,0,0]=2 67 B14R1.716 COC(=O)CCNCC1=CC=CC=C1 CS-0049144 [0,1,0,0,0,1|0,0,0]=2 68 B14R1.6449 O=C(O)[C@H](O)COCC1=CC=CC=C1 CS-0104526 [0,1,0,0,0,1|0,0,0]=2 69 B14R1.433 N[C@@H](CC1=CC=CC=C1)CS(=O)(=O)O CS-0089138 [0,2,0,0,0,0|1,0,0]=3 70 B14R1.698 N[C@H](CC(=O)O)CC1=CC=C(Cl)C=C1 CS-0060233 [0,2,0,0,0,0|0,0,0]=2 71 B14R1.698 O=C(O)CC(=O)NC1=CC=C(F)C=C1 CS-0060252 [0,2,0,0,0,0|1,0,1]=4 72 B14R1.756 COC(=O)[C@@H](C)NCC1=CC=CC=C1 CS-0091534 [0,2,0,0,0,0|1,0,0]=3 73 B14R1.520 CCOC(=O)CCCC1=NC=CC=N1 CS-0104776 [0,2,0,0,0,0|2,0,0]=4 74 B14R1.520 CCOC(=O)C\N=C\C1=CC=CC=C1 CS-0112225 [0,2,0,0,0,0|1,0,1]=4 75 B14R1.520 CCOC(=O)NOCC1=CC=CC=C1 CS-0038474 [0,2,0,0,0,0|2,0,0]=4 76 B12R2.2 C1=CC=C(C2CCCO2)C=C1 CS-0051806 [1,0,0,1,0,0|0,0,1]=3 77 B12R2.2 C1=CC=C([C@@H]2CCNC2)C=C1 CS-0043303 [1,0,0,1,0,0|2,0,0]=4 78 B12R2.23 O=C1CCC1C2=CC=CC=C2 CS-0051808 [1,0,0,1,0,0|0,0,0]=2 79 B12R2.1081 NC1CCCC2=CC=CC=C21 CS-W007739 [1,0,0,1,0,0|1,0,1]=4 80 B12R2.1081 O=C1CCCC2=CN=CC=C12 CS-0060783 [1,0,0,1,0,0|1,0,0]=3 81 B12R2.1081 O=C1CCNC2=CC=CC=C12 CS-W005292 [1,0,0,1,0,0|1,0,0]=3 82 B12R2.1081 O=C1NCCC2=C1N=CC=C2 CS-W019035 [1,0,0,1,0,0|2,0,0]=4 83 B12R2.1081 OB1OCCC2=CC=CC=C12 CS-0100855 [1,0,0,1,0,0|2,0,0]=4 84 B12R2.1081 O[C@@H]1CCCC2=C1N=CC=C2 CS-0102397 [1,0,0,1,0,0|1,0,1]=4 85 B12R2.1081 O[C@H]1CCCC2=C1N=CC=C2 CS-0102424 [1,0,0,1,0,0|1,0,1]=4 86 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 CS-0054863 [0,0,0,1,1,0|1,0,0]=3 87 B12R2.24 O=C1CCC2=C(C=CC=N2)C1 CS-0102419 [0,0,0,1,1,0|2,0,0]=4 88 B12R2.24 O=C1CCC2=CC=CN=C2N1 CS-0052759 [0,0,0,1,1,0|2,0,0]=4 89 B12R2.24 O=C1CCC2=CN=CC=C2N1 CS-0052760 [0,0,0,1,1,0|2,0,0]=4 90 B12R2.24 O=C1CSC2=CC=CC=C2N1 CS-0085251 [0,0,0,1,1,0|2,0,0]=4 91 B12R2.114 O=C1CCCC2=C(C=CS2)N1 CS-0078652 [0,0,0,1,1,0|2,0,0]=4 92 B12R2.1362 O=C(O)C1CCC2=CC=NN21 CS-0068332 [0,0,0,1,1,0|2,0,0]=4 93 B14R2.2 O=C(O)CC1=CSC2=CC=CC=C12 CS-0108787 [0,0,0,1,0,1|0,0,2]=4 94 B14R2.2 O=C(O)CN1N=NC2=CC=CC=C21 CS-0060599 [0,0,0,1,0,1|2,0,0]=4 95 B14R2.21 O=C1CC(C2=CC=CC=C2)CCN1 CS-0070957 [0,0,0,1,0,1|1,0,0]=3 96 B14R2.21 O=C1COC[C@H](C2=CC=CC=C2)N1 CS-0062218 [0,0,0,1,0,1|1,0,0]=3 97 B14R2.21 O[C@H]1CCC[C@@H](C2=CC=CC=C2)C1 CS-0093945 [0,0,0,1,0,1|1,0,1]=4 98 B14R2.436 O[C@H]1C[C@@H](OCC2=CC=CC=C2)C1 CS-0017753 [0,0,0,1,0,1|1,0,1]=4 99 B14R2.436 O[C@H]1C[C@H](OCC2=CC=CC=C2)C1 CS-0047819 [0,0,0,1,0,1|1,0,1]=4 100 B14R2.3018 C1=CC=C(COCCC2CO2)C=C1 CS-0112897 [0,0,0,1,0,1|1,0,1]=4 101 B14R2.5495 O=S1(=O)CCNCC2=C1C=CC=C2 CS-0113127 [0,0,0,1,0,1|1,0,1]=4 102 B14R2.5495 O=S1(=O)CCNCC2=CC=CC=C21 CS-0068905 [0,0,0,1,0,1|1,0,1]=4 103 B14R2.31359 CC(=O)C1CCCC2=C1N=CC=C2 CS-0102376 [0,0,0,1,0,1|2,0,0]=4 104 B14R2.31359 O=C(O)C1CCNC2=C1C=CC=C2 CS-0058681 [0,0,0,1,0,1|0,0,0]=2 105 B14R2.31359 O=C(O)[C@@H]1CCCC2=C1C=CC=C2 CS-0008705 [0,0,0,1,0,1|0,0,0]=2 106 B14R2.779 O=C(O)C1CC(C2=CC=NC=C2)C1 CS-0088902 [0,1,0,1,0,0|1,0,0]=3 107 B14R2.7974 O=C1CNCC2=CC(Cl)=CC=C2N1 CS-0067778 [0,1,0,1,0,0|2,0,0]=4 108 B14R2.8053 O=C(O)[C@@H]1CCC2=NC=CC(=O)N21 CS-0083435 [0,1,0,1,0,0|2,0,0]=4 109 B14R2.256 O=C1NCC(C2=CC=CC=C2Br)O1 CS-0038693 [0,1,0,1,0,0|1,0,0]=3 110 B14R2.768 O=C(O)CC1=NC2=C(C=CC=C2)N1 CS-0037477 [0,1,0,1,0,0|1,0,1]=4 111 B14R2.5443 O=C(O)C1CC1C2=C(Cl)C=CC=C2 CS-0052303 [0,1,0,1,0,0|0,0,0]=2 112 B14R2.598 O=C1NC(=O)C(C2=CC=CC=C2)O1 CS-0089839 [0,1,0,1,0,0|1,0,1]=4 113 B14R2.31 O=C1CCC1OCC2=CC=CC=C2 CS-0052247 [0,1,0,1,0,0|2,0,0]=4 114 B14R2.741 N[C@H]1CSC2=CC=CC=C2NC1=O CS-0077754 [0,1,0,1,0,0|2,0,0]=4 115 B14R2.380 NC1=CC=C2CCCC(=O)NC2=C1 CS-0004301 [0,1,0,1,0,0|1,0,0]=3 116 B14R2.380 O=C1CCOC2=CC=C(Br)C=C2N1 CS-0104775 [0,1,0,1,0,0|2,0,0]=4 117 B14R2.4402 NC1=CC=C([C@H]2C[C@@H]2C(=O)O)C=N1 CS-0081484 [0,1,0,1,0,0|1,0,0]=3 118 B14R2.4402 O=C(O)[C@@H]1C[C@H]1C2=CC=C(Br)C=C2 CS-0037163 [0,1,0,1,0,0|0,0,0]=2 119 B14R2.4402 O=C(O)[C@H]1C[C@@H]1C2=CC=C(O)C=C2 CS-0053572 [0,1,0,1,0,0|0,0,0]=2 120 B14R2.4402 O=C(O)[C@H]1C[C@@H]1C2=CN=C(Br)C=C2 CS-0053570 [0,1,0,1,0,0|1,0,0]=3 121 B14R2.95 O=C(CCl)N1CCC2=CC=CC=C21 CS-W010610 [0,1,0,1,0,0|2,0,0]=4 122 B10R1.18 O=C(O)CC1=CN=CC=N1 CS-W005774 [0,0,0,0,2,0|2,0,0]=4 123 B10R1.18 O=C(O)CC1=NC=CC=C1 CS-0096299 [0,0,0,0,2,0|1,0,0]=3 124 B10R1.66 O=C(O)CCC1=CN=CN1 CS-0038274 [0,0,0,0,2,0|2,0,0]=4