0 B13R1.337 CC(=O)CCOCC1=CC=CC=C1 CS-0204232 [0,0,0,0,0,0|2,0,1]=3 1 B13R1.337 CC(=O)OCCCC1=CC=CC=C1 CS-0196601 [0,0,0,0,0,0|0,0,2]=2 2 B13R1.337 CC(=O)OC\C=C\C1=CC=CC=C1 CS-W017407 [0,0,0,0,0,0|0,0,0]=0 3 B13R1.337 O=C(O)CCCSC1=CC=CC=C1 CS-0074135 [0,0,0,0,0,0|3,0,1]=4 4 B13R1.337 O=C(O)CCNCC1=CC=CC=C1 CS-0246025 [0,0,0,0,0,0|3,0,1]=4 5 B13R1.337 O=C(O)CCOCC1=CC=CC=C1 CS-0067527 [0,0,0,0,0,0|3,0,1]=4 6 B13R1.337 O=C(O)\C=C\C=C\C1=CC=CC=C1 CS-0166761 [0,0,0,0,0,0|2,0,1]=3 7 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 CS-W004848 [0,1,0,0,0,0|2,0,1]=4 8 B14R1.420 O=C(O)CCNC(=O)C1=CC=CC=C1 CS-4674 [0,1,0,0,0,0|3,0,0]=4 9 B14R1.423 CC(=O)CCN(C)CC1=CC=CC=C1 CS-0514478 [0,1,0,0,0,0|2,0,1]=4 10 B14R1.423 O=C(O)CCC(=O)NC1=CC=CC=C1 CS-W010689 [0,1,0,0,0,0|3,0,0]=4 11 B14R1.716 COC(=O)CCCCC1=CC=CC=C1 CS-0213167 [0,1,0,0,0,0|1,0,2]=4 12 B14R1.716 O=C(CCl)NCCOC1=CC=CC=C1 CS-0225952 [0,1,0,0,0,0|2,0,1]=4 13 B14R1.6449 N[C@H](C\C=C\C1=CC=CC=C1)C(=O)O CS-0156496 [0,1,0,0,0,0|2,0,0]=3 14 B14R2.2 CC(=O)OC1=CNC2=C1C=CC=C2 CS-0142563 [0,0,0,1,0,0|1,0,1]=3 15 B14R2.2 CC(=O)OC1CCC2=C1N=CC=C2 CS-0028380 [0,0,0,1,0,0|1,0,2]=4 16 B14R2.2 O=C(O)CN1C=CC2=CC=CC=C21 CS-W005380 [0,0,0,1,0,0|3,0,0]=4 17 B14R2.19 O=C1CCN(CC2=CC=CC=C2)C1 CS-W001967 [0,0,0,1,0,0|2,0,1]=4 18 B14R2.19 O=C1NC(CC2=CC=CC=C2)CO1 CS-0452270 [0,0,0,1,0,0|1,0,2]=4 19 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 CS-D1593 [0,0,0,1,0,0|1,0,2]=4 20 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 CS-W007664 [0,0,0,1,0,0|1,0,2]=4 21 B14R2.21 O=C1CCCC(C2=CC=CC=C2)C1 CS-0341801 [0,0,0,1,0,0|1,0,2]=4 22 B14R2.21 O=C1CCOC(C2=CC=CC=C2)C1 CS-W021744 [0,0,0,1,0,0|2,0,1]=4 23 B14R2.436 O=C1CC(OCC2=CC=CC=C2)C1 CS-W008851 [0,0,0,1,0,0|2,0,1]=4 24 B14R2.31359 CC(=O)C1=C2C=CC=CC2=CC=C1 CS-W020048 [0,0,0,1,0,0|1,0,1]=3 25 B14R2.31359 CC(=O)C1=CC=CC2=CC=NC=C21 CS-0187892 [0,0,0,1,0,0|2,0,1]=4 26 B14R2.31359 CC(=O)C1=NC=CC2=C1C=CC=C2 CS-0098097 [0,0,0,1,0,0|2,0,0]=3 27 B14R2.31359 CC(=O)N1CCCC2=CC=CC=C21 CS-0206919 [0,0,0,1,0,0|1,0,2]=4 28 B14R2.31359 NC(=O)C1=C2C=CC=CC2=CC=C1 CS-0100162 [0,0,0,1,0,0|2,0,1]=4 29 B14R2.31359 O=C(O)C1=C2C=CC=CC2=CC=C1 CS-W020013 [0,0,0,1,0,0|2,0,1]=4 30 B14R2.31359 O=C(O)C1=NC=CC2=CC=CC=C21 CS-W002015 [0,0,0,1,0,0|3,0,0]=4 31 B12R1.252 NC(=O)CNCC1=CC=CC=C1 CS-0217488 [0,0,0,0,1,0|2,0,1]=4 32 B12R1.252 NC(=O)COCC1=CC=CC=C1 CS-0186437 [0,0,0,0,1,0|2,0,1]=4 33 B12R1.252 O=C(O)CCCC1=CC=CC=C1 CS-D1686 [0,0,0,0,1,0|1,0,2]=4 34 B12R1.252 O=C(O)CCNC1=CC=CC=C1 CS-W021779 [0,0,0,0,1,0|2,0,1]=4 35 B12R1.252 O=C(O)CCOC1=CC=CC=C1 CS-W004102 [0,0,0,0,1,0|2,0,1]=4 36 B12R1.252 O=C(O)CNCC1=CC=CC=C1 CS-0015734 [0,0,0,0,1,0|2,0,1]=4 37 B12R1.252 O=C(O)CNCC1=CC=CC=C1 CS-W016075 [0,0,0,0,1,0|2,0,1]=4 38 B12R1.252 O=C(O)COCC1=CC=CC=C1 CS-W002601 [0,0,0,0,1,0|2,0,1]=4 39 B12R1.252 O=C(O)CSCC1=CC=CC=C1 CS-0076541 [0,0,0,0,1,0|2,0,1]=4 40 B12R1.252 O=C(O)C\C=C\C1=CC=CC=C1 CS-0156615 [0,0,0,0,1,0|1,0,0]=2 41 B12R1.252 O=C(O)C\C=C\C1=CC=CC=C1 CS-0166913 [0,0,0,0,1,0|1,0,0]=2 42 B11R1.28 CCO\C=N\C1=CC=CC=C1 CS-W001215 [2,0,0,0,0,0|1,0,1]=4 43 B11R1.28 CNC\C=C\C1=CC=CC=C1 CS-0236559 [2,0,0,0,0,0|1,0,0]=3 44 B11R1.28 O=CNCCC1=CC=CC=C1 CS-0213371 [2,0,0,0,0,0|1,0,1]=4 45 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 CS-0356392 [1,1,0,0,0,0|0,0,2]=4 46 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 CS-W020629 [1,1,0,0,0,0|0,0,2]=4 47 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 CS-W001943 [0,1,0,0,1,0|1,0,1]=4 48 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 CS-W017278 [0,1,0,0,1,0|2,0,0]=4 49 B13R1.45 O=C(O)CSC(=S)C1=CC=CC=C1 CS-W014999 [0,1,0,0,1,0|2,0,0]=4 50 B13R1.45 O=C(O)\C=C\C(=O)C1=CC=CC=C1 CS-0040775 [0,1,0,0,1,0|1,0,1]=4 51 B13R1.45 O=C(O)\C=C\C(=O)C1=CC=CC=C1 CS-0368601 [0,1,0,0,1,0|1,0,1]=4 52 B13R1.348 CC(=O)CC(=O)CC1=CC=CC=C1 CS-0155067 [0,1,0,0,1,0|0,0,1]=3 53 B13R1.348 O=C(O)CC(=O)OC1=CC=CC=C1 CS-0373249 [0,1,0,0,1,0|2,0,0]=4 54 B13R1.351 O=C(O)C(=O)\C=C\C1=CC=CC=C1 CS-0235779 [0,1,0,0,1,0|1,0,1]=4 55 B15R1.959 COC(=O)CCCC(=O)C1=CC=CC=C1 CS-0150697 [0,2,0,0,0,0|1,0,1]=4 56 B15R1.111 CC(=O)OCC(=O)CC1=CC=C(Cl)C=C1 CS-M3572 [0,2,0,0,0,0|0,0,1]=3 57 B13R1.893 CC(=O)OCC1=CC(F)=CC=C1Br CS-0080611 [0,0,1,1,0,0|2,0,0]=4 58 B13R2.3 C1=CC=C(C2=CCCCC2)C=C1 CS-W016196 [1,0,0,1,0,0|1,0,1]=4 59 B13R2.3 C1=CC=C(C2=CCNCC2)C=C1 CS-0171304 [1,0,0,1,0,0|1,0,1]=4 60 B13R2.3 C1=CC=C(C2=CCNCC2)C=C1 CS-0187049 [1,0,0,1,0,0|1,0,1]=4 61 B13R2.15 CC1=NNC=C1C2=CC=CC=C2 CS-W016200 [1,0,0,1,0,0|2,0,0]=4 62 B13R2.1613 O=CC1=C2C=CC=CC2=CC=C1 CS-D1451 [1,0,0,1,0,0|1,0,1]=4 63 B13R2.1613 O=CC1=NC=CC2=C1C=CC=C2 CS-0040414 [1,0,0,1,0,0|2,0,0]=4 64 B13R2.10 CC1=NC(C2=CC=CC=C2)=CN1 CS-0045338 [0,0,0,1,1,0|2,0,0]=4 65 B13R2.10 CC1=NC(C2=CC=CC=C2)=NO1 CS-0126655 [0,0,0,1,1,0|2,0,0]=4 66 B13R2.10 NC1=NC(C2=CC=CC=C2)=CO1 CS-0046180 [0,0,0,1,1,0|2,0,0]=4 67 B13R2.10 O=C1CC(C2=CC=CC=C2)=NN1 CS-0094278 [0,0,0,1,1,0|2,0,0]=4 68 B13R2.10 O=C1CC(C2=CC=CC=C2)=NO1 CS-0114110 [0,0,0,1,1,0|1,0,0]=3 69 B13R2.10 O=C1CC(C2=CC=CC=C2)CN1 CS-W018637 [0,0,0,1,1,0|1,0,1]=4 70 B13R2.10 O=C1CC(C2=CC=NC=C2)=NO1 CS-0097912 [0,0,0,1,1,0|2,0,0]=4 71 B13R2.10 O=C1CCC(C2=CC=CC=C2)C1 CS-0139334 [0,0,0,1,1,0|0,0,2]=4 72 B13R2.10 O=C1CN=C(C2=CC=CC=C2)O1 CS-W017933 [0,0,0,1,1,0|2,0,0]=4 73 B13R2.10 O=C1N=C(C2=CC=CC=C2)NO1 CS-0043875 [0,0,0,1,1,0|2,0,0]=4 74 B13R2.10 O=C1NC(C2=CC=CC=C2)CO1 CS-0039132 [0,0,0,1,1,0|1,0,1]=4 75 B13R2.10 O=C1N[C@@H](C2=CC=CC=C2)CO1 CS-0031471 [0,0,0,1,1,0|1,0,1]=4 76 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 CS-W017924 [0,0,0,1,1,0|1,0,1]=4 77 B13R2.10 O=C1OCC(C2=CC=CC=C2)O1 CS-0697972 [0,0,0,1,1,0|1,0,1]=4 78 B13R2.10 O=C1ON=C(C2=CC=CC=C2)O1 CS-0699002 [0,0,0,1,1,0|2,0,0]=4 79 B13R2.72 CC(=O)C1=CNC2=C1C=CC=C2 CS-W019453 [0,0,0,1,1,0|1,0,1]=4 80 B13R2.72 CC(=O)N1C=CC2=CC=CC=C21 CS-0155049 [0,0,0,1,1,0|1,0,0]=3 81 B13R2.72 CC(=O)N1C=CC2=CC=CN=C21 CS-0609432 [0,0,0,1,1,0|2,0,0]=4 82 B13R2.72 CC(=O)N1CCC2=CC=CC=C21 CS-W010870 [0,0,0,1,1,0|1,0,1]=4 83 B13R2.72 CC(=O)N1N=CC2=CC=CC=C21 CS-0155047 [0,0,0,1,1,0|2,0,0]=4 84 B13R2.163 O=C1CC2=CC=CC=C2C=CN1 CS-0199716 [0,0,0,1,1,0|1,0,0]=3 85 B13R2.163 O=C1CC2=CC=CC=C2CCN1 CS-W000444 [0,0,0,1,1,0|1,0,1]=4 86 B15R2.6 CC(=O)CCC1=CNC2=CC=CC=C12 CS-0246569 [0,0,0,1,0,1|1,0,0]=3 87 B15R2.6 NC(=O)CCC1=CNC2=C1C=CC=C2 CS-0135533 [0,0,0,1,0,1|2,0,0]=4 88 B15R2.6 O=C(O)CCC1=CNC2=CC=CC=C12 CS-W015945 [0,0,0,1,0,1|2,0,0]=4 89 B15R2.31 O=C1CN(CC2=CC=CC=C2)CCO1 CS-W001898 [0,0,0,1,0,1|0,0,2]=4 90 B15R2.68122 CC(=O)OC1=CC=CC2=CC=CC=C21 CS-W016904 [0,0,0,1,0,1|0,0,1]=3 91 B15R2.377 CC(=O)OC1=CNC2=C1C=CC(Br)=C2 CS-0155008 [0,1,0,1,0,0|1,0,1]=4 92 B15R2.1660 O=C(O)CCC1=CC2=C(C=CC=C2)O1 CS-0073160 [0,1,0,1,0,0|2,0,0]=4 93 B15R2.1668 CC(=O)CC1=NC2=CC=CC=C2C=C1 CS-0161876 [0,1,0,1,0,0|1,0,1]=4 94 B15R2.59 CC(=O)C1=CC=C(C2=CC=CC=C2)S1 CS-0308836 [0,1,0,1,0,0|1,0,1]=4 95 B15R2.612 O=C1CC(OC(=O)C2=CC=CC=C2)N1 CS-0207163 [0,1,0,1,0,0|2,0,0]=4 96 B15R2.14628 CC(=O)C1=C2C=CC=CC2=C(Br)C=C1 CS-0132193 [0,1,0,1,0,0|1,0,1]=4 97 B15R2.14628 CC(=O)C1=CC=C(C)C2=CC=CC=C12 CS-0281137 [0,1,0,1,0,0|1,0,1]=4 98 B15R2.14628 CC(=O)C1=CC=C(F)C2=CC=CC=C12 CS-W016808 [0,1,0,1,0,0|1,0,1]=4 99 B15R2.53147 CC(=O)O[IH2]1OC(=O)C2=CC=CC=C21 CS-W001481 [0,1,0,1,0,0|2,0,0]=4 100 B15R2.79765 CCC(=O)C1=CC=CC2=C1C=CC=C2 CS-B1712 [0,1,0,1,0,0|1,0,1]=4 101 B15R2.79765 COC(=O)C1=C2C=CC=CC2=CC=C1 CS-0138236 [0,1,0,1,0,0|1,0,1]=4 102 B15R2.79765 COC(=O)C1=NC=CC2=CC=CC=C21 CS-0072990 [0,1,0,1,0,0|2,0,0]=4 103 B15R2.1162 CC(=O)C1=C2C=CC=CC2=CC=C1O CS-0100400 [0,1,0,1,0,0|1,0,1]=4 104 B15R3.14759 O=C1CC2=CC=CC3=C2C1=CC=C3 CS-0036480 [0,0,0,2,0,0|1,0,1]=4 105 B11R1.91 CC(=O)C#CC1=CC=CC=C1 CS-W004450 [0,0,0,0,2,0|0,0,2]=4 106 B11R1.91 CC(=O)CCC1=CC=CC=C1 CS-W016332 [0,0,0,0,2,0|0,0,1]=3 107 B11R1.91 CC(=O)COC1=CC=CC=C1 CS-0066530 [0,0,0,0,2,0|1,0,0]=3 108 B11R1.91 CC(=O)NCC1=CC=CC=C1 CS-0044769 [0,0,0,0,2,0|1,0,0]=3 109 B11R1.91 CC(=O)NNC1=CC=CC=C1 CS-W018141 [0,0,0,0,2,0|2,0,0]=4 110 B11R1.91 CC(=O)OCC1=CC=CC=C1 CS-W018145 [0,0,0,0,2,0|0,0,0]=2 111 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 CS-0031350 [0,0,0,0,2,0|0,0,0]=2 112 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 CS-W013311 [0,0,0,0,2,0|0,0,0]=2 113 B11R1.91 NC(=O)CCC1=CC=CC=C1 CS-0037177 [0,0,0,0,2,0|1,0,1]=4 114 B11R1.91 NC(=O)COC1=CC=CC=C1 CS-0149937 [0,0,0,0,2,0|2,0,0]=4 115 B11R1.91 NC(=O)OCC1=CC=CC=C1 CS-W004984 [0,0,0,0,2,0|1,0,0]=3 116 B11R1.91 O=C(O)CCC1=CC=CC=C1 CS-W019781 [0,0,0,0,2,0|1,0,1]=4 117 B11R1.91 O=C(O)CNC1=CC=CC=C1 CS-W016312 [0,0,0,0,2,0|2,0,0]=4 118 B11R1.91 O=C(O)COC1=CC=CC=C1 CS-0013736 [0,0,0,0,2,0|2,0,0]=4 119 B11R1.91 O=C(O)CSC1=CC=CC=C1 CS-W016037 [0,0,0,0,2,0|2,0,0]=4 120 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 CS-0009610 [0,0,0,0,2,0|1,0,0]=3 121 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 CS-W020005 [0,0,0,0,2,0|1,0,0]=3 122 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 CS-0031477 [0,0,0,0,2,0|2,0,0]=4 123 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 CS-W018179 [0,0,0,0,2,0|2,0,0]=4 124 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 CS-0132417 [0,0,0,0,2,0|2,0,0]=4 125 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 CS-W021781 [0,0,0,0,2,0|2,0,0]=4 126 B11R1.91 O=C(O)\C=C\C1=NC=CC=C1 CS-W021780 [0,0,0,0,2,0|2,0,0]=4 127 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 CS-0031474 [0,0,0,0,2,0|2,0,0]=4 128 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 CS-W007478 [0,0,0,0,2,0|2,0,0]=4