0 B12R1.8 CNCCCCC1=CC=CC=C1 23811 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.8 ClCCCCCC1=CC=CC=C1 22329 [0,0,0,0,0,0|1,0,0]=1 2 B12R1.8 ClCCCCOC1=CC=CC=C1 22399 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.28 BrCCOCC1=CC=CC=C1 14427 [1,0,0,0,0,0|2,0,0]=3 4 B11R1.28 CNCCCC1=CC=CC=C1 23460 [1,0,0,0,0,0|1,0,0]=2 5 B11R1.28 OCCOCC1=CC=CC=C1 21183 [1,0,0,0,0,0|1,0,0]=2 6 B13R1.28 ClCCCCCCC1=CC=CC=C1 22593 [0,1,0,0,0,0|1,0,0]=2 7 B13R1.42 NCCC(=O)OCC1=CC=CC=C1 03268 [0,1,0,0,0,0|2,0,1]=4 8 B13R1.337 O=C(O)CCCOC1=CC=CC=C1 25877 [0,1,0,0,0,0|1,0,1]=3 9 B13R1.718 N[C@H](CO)COCC1=CC=CC=C1 03219 [0,1,0,0,0,0|1,0,0]=2 10 B13R1.718 N[C@H](CO)CSCC1=CC=CC=C1 03181 [0,1,0,0,0,0|1,0,0]=2 11 B13R1.718 OC[C@@H](O)COCC1=CC=CC=C1 10606 [0,1,0,0,0,0|1,0,0]=2 12 B13R1.718 OC[C@H](O)COCC1=CC=CC=C1 10551 [0,1,0,0,0,0|1,0,0]=2 13 B13R2.1 OCCC1=CNC2=C1C=CC=C2 22056 [0,0,0,1,0,0|1,0,2]=4 14 B13R2.3 C1=CC(C2CCNCC2)=CC=N1 17120 [0,0,0,1,0,0|3,0,0]=4 15 B13R2.3 C1=CC(C2CNCCS2)=CN=C1 23709 [0,0,0,1,0,0|2,1,0]=4 16 B13R2.3 C1=CC(C2CSCCN2)=CN=C1 23538 [0,0,0,1,0,0|3,0,0]=4 17 B13R2.3 C1=CC=C(C2CCCNC2)C=C1 17152 [0,0,0,1,0,0|2,0,0]=3 18 B13R2.3 C1=CC=C(C2CCCNC2)C=C1 23493 [0,0,0,1,0,0|2,0,0]=3 19 B13R2.3 C1=CC=C(C2CCNCC2)C=C1 23412 [0,0,0,1,0,0|2,0,0]=3 20 B13R2.3 C1=CC=C(C2CNCCN2)C=C1 23681 [0,0,0,1,0,0|2,0,0]=3 21 B13R2.3 C1=CC=C(C2CNCCO2)C=C1 23698 [0,0,0,1,0,0|1,0,0]=2 22 B13R2.3 C1=CC=C(C2CNCCS2)C=C1 23582 [0,0,0,1,0,0|1,1,0]=3 23 B13R2.3 C1=CC=C(C2COCCN2)C=C1 23609 [0,0,0,1,0,0|2,0,0]=3 24 B13R2.3 C1=CC=C(C2CSCCN2)C=C1 23539 [0,0,0,1,0,0|2,0,0]=3 25 B13R2.3 C1=CC=C(N2CCNCC2)C=C1 06901 [0,0,0,1,0,0|3,0,0]=4 26 B13R2.3 C1=CN=CC(C2CNCCN2)=C1 23833 [0,0,0,1,0,0|3,0,0]=4 27 B13R2.3 C1=CN=CC(C2CNCCO2)=C1 23559 [0,0,0,1,0,0|2,0,0]=3 28 B13R2.3 C1=CN=CC(C2COCCN2)=C1 23710 [0,0,0,1,0,0|3,0,0]=4 29 B13R2.15 CN1CCC[C@H]1C2=CC=CN=C2 32494 [0,0,0,1,0,0|3,0,0]=4 30 B13R2.15 CN1CCC[C@H]1C2=CC=CN=C2 32495 [0,0,0,1,0,0|3,0,0]=4 31 B13R2.15 CN1CCC[C@H]1C2=CC=CN=C2 32496 [0,0,0,1,0,0|3,0,0]=4 32 B13R2.64 C1=CC(CC2CCNC2)=CN=C1 23768 [0,0,0,1,0,0|3,0,0]=4 33 B13R2.64 C1=CC=C(CC2CCCN2)C=C1 23328 [0,0,0,1,0,0|1,0,0]=2 34 B13R2.64 C1=CC=C(CC2CCNC2)C=C1 23442 [0,0,0,1,0,0|2,0,0]=3 35 B13R2.64 C1=CN=CC(CC2CCCN2)=C1 23558 [0,0,0,1,0,0|2,0,0]=3 36 B13R2.1613 O\N=C1/CCOC2=C1C=CC=C2 23285 [0,0,0,1,0,0|2,0,1]=4 37 B13R2.1613 O\N=C1\CCCC2=C1C=CC=C2 24180 [0,0,0,1,0,0|1,0,1]=3 38 B13R2.5252 O=C1CCCOC2=C1C=CC=C2 25880 [0,0,0,1,0,0|1,0,2]=4 39 B13R2.5252 O=C1NCCCC2=C1C=CC=C2 17962 [0,0,0,1,0,0|1,0,2]=4 40 B10R1.17 CCCCC1=CC=CC=C1 27221 [2,0,0,0,0,0|0,0,0]=2 41 B10R1.17 CCCC[N+]1=CC=CC=C1 31412 [2,0,0,0,0,0|1,0,0]=3 42 B10R1.17 CCCC[N+]1=CC=CC=C1 31413 [2,0,0,0,0,0|1,0,0]=3 43 B10R1.17 CNCCC1=CC=CC=C1 23237 [2,0,0,0,0,0|1,0,0]=3 44 B10R1.17 CNCCC1=CC=CN=C1 23587 [2,0,0,0,0,0|2,0,0]=4 45 B10R1.17 CNCCC1=CC=NC=C1 17201 [2,0,0,0,0,0|2,0,0]=4 46 B10R1.17 CNCCC1=NC=CC=C1 23232 [2,0,0,0,0,0|2,0,0]=4 47 B10R1.17 ClCOCC1=CC=CC=C1 00728 [2,0,0,0,0,0|2,0,0]=4 48 B10R1.17 OCC#CC1=CC=CC=C1 27592 [2,0,0,0,0,0|0,0,2]=4 49 B12R1.1 COCCOC1=CC=C(O)C=C1 20176 [1,1,0,0,0,0|2,0,0]=4 50 B12R1.30 CCCCC(=O)C1=CC=CC=C1 30357 [1,1,0,0,0,0|0,0,1]=3 51 B12R1.32 CCOC(=O)CC1=CC=CC=C1 27212 [1,1,0,0,0,0|1,0,1]=4 52 B12R1.252 O=C(O)CCCC1=CC=CC=C1 30722 [1,1,0,0,0,0|0,0,1]=3 53 B12R1.252 O=C(O)CNCC1=CC=CC=C1 05637 [1,1,0,0,0,0|1,0,1]=4 54 B12R1.252 O=C(O)CNCC1=CC=CC=C1 17126 [1,1,0,0,0,0|1,0,1]=4 55 B12R1.252 O=C(O)COCC1=CC=CC=C1 28313 [1,1,0,0,0,0|1,0,1]=4 56 B14R1.148 O=C(O)CCCOC1=CC=CC(Cl)=C1 20181 [0,2,0,0,0,0|1,0,1]=4 57 B14R1.13 CC1=CC=C(CSC[C@H](N)CO)C=C1 03178 [0,2,0,0,0,0|1,0,0]=3 58 B14R1.677 CC1=CC=C(CCCCC(=O)O)C=C1 21373 [0,2,0,0,0,0|0,0,1]=3 59 B14R1.677 CC1=CC=C(CSCCC(=O)O)C=C1 02724 [0,2,0,0,0,0|1,0,1]=4 60 B14R1.677 O=C(O)CCCOC1=CC=C(Br)C=C1 25879 [0,2,0,0,0,0|1,0,1]=4 61 B14R1.677 O=C(O)CCCOC1=CC=C(Cl)C=C1 25878 [0,2,0,0,0,0|1,0,1]=4 62 B14R1.123 ClCCCCCCCC1=CC=CC=C1 22592 [0,2,0,0,0,0|1,0,0]=3 63 B14R1.156 NCCCC(=O)OCC1=CC=CC=C1 14954 [0,2,0,0,0,0|1,0,1]=4 64 B14R1.156 O=C(NCCO)OCC1=CC=CC=C1 06685 [0,2,0,0,0,0|1,0,1]=4 65 B14R1.520 CCOC(=O)CCCC1=CC=CC=C1 23245 [0,2,0,0,0,0|1,0,1]=4 66 B14R1.756 C[C@@H](OCC1=CC=CC=C1)[C@H](N)CO 03223 [0,2,0,0,0,0|1,0,0]=3 67 B14R1.756 C[C@@H](OCC1=CC=CC=C1)[C@H](N)CO 29570 [0,2,0,0,0,0|1,0,0]=3 68 B14R1.756 NC(CO)C(=O)OCC1=CC=CC=C1 12029 [0,2,0,0,0,0|1,0,1]=4 69 B14R1.756 N[C@@H](CO)C(=O)OCC1=CC=CC=C1 06692 [0,2,0,0,0,0|1,0,1]=4 70 B14R1.756 N[C@H](CO)C(=O)OCC1=CC=CC=C1 12431 [0,2,0,0,0,0|1,0,1]=4 71 B14R1.818 N[C@@H](CCC1=CC=CC=C1)CC(=O)O 15236 [0,2,0,0,0,0|0,0,1]=3 72 B14R1.818 N[C@H](CCC1=CC=CC=C1)CC(=O)O 15213 [0,2,0,0,0,0|0,0,1]=3 73 B14R1.6449 NC(COCC1=CC=CC=C1)C(=O)O 12385 [0,2,0,0,0,0|1,0,1]=4 74 B14R1.6449 N[C@@H](CCCC1=CC=CC=C1)C(=O)O 15734 [0,2,0,0,0,0|0,0,1]=3 75 B14R1.6449 N[C@@H](COCC1=CC=CC=C1)C(=O)O 03137 [0,2,0,0,0,0|1,0,1]=4 76 B14R1.6449 N[C@@H](CSCC1=CC=CC=C1)C(=O)O 03047 [0,2,0,0,0,0|1,0,1]=4 77 B14R1.6449 N[C@H](CCCC1=CC=CC=C1)C(=O)O 15735 [0,2,0,0,0,0|0,0,1]=3 78 B14R1.6449 N[C@H](COCC1=CC=CC=C1)C(=O)O 03313 [0,2,0,0,0,0|1,0,1]=4 79 B14R1.6449 N[C@H](CSCC1=CC=CC=C1)C(=O)O 03048 [0,2,0,0,0,0|1,0,1]=4 80 B12R2.1 NCC1CCC2=C1C=CC=C2 19369 [1,0,0,1,0,0|1,0,0]=3 81 B12R2.2 C1=CC(C2CCCN2)=CC=N1 23441 [1,0,0,1,0,0|2,0,0]=4 82 B12R2.2 C1=CC(C2CCNC2)=CN=C1 17380 [1,0,0,1,0,0|2,0,0]=4 83 B12R2.2 C1=CC(N2CCCC2)=CC=N1 02356 [1,0,0,1,0,0|2,0,0]=4 84 B12R2.2 C1=CC=C(C2CCCN2)C=C1 23494 [1,0,0,1,0,0|1,0,0]=3 85 B12R2.2 C1=CC=C(C2CCNC2)C=C1 23419 [1,0,0,1,0,0|1,0,0]=3 86 B12R2.2 C1=CN=C(C2CCCN2)C=C1 16992 [1,0,0,1,0,0|2,0,0]=4 87 B12R2.2 C1=CN=C(C2CCNC2)C=C1 17254 [1,0,0,1,0,0|2,0,0]=4 88 B12R2.2 C1=CN=CC(C2CCCN2)=C1 23240 [1,0,0,1,0,0|2,0,0]=4 89 B12R2.41 C1=CC=C2NCCNCC2=C1 19927 [1,0,0,1,0,0|2,0,0]=4 90 B12R2.1081 NC1CCCC2=NC=CC=C21 19063 [1,0,0,1,0,0|2,0,0]=4 91 B12R2.1081 NC1CCOC2=C1C=CC=C2 17363 [1,0,0,1,0,0|2,0,0]=4 92 B12R2.1081 N[C@@H]1CCOC2=C1C=CC=C2 19637 [1,0,0,1,0,0|2,0,0]=4 93 B12R2.1081 N[C@H]1CCOC2=CC=CC=C21 18346 [1,0,0,1,0,0|2,0,0]=4 94 B12R2.1081 OC1CCCC2=CC=CC=C21 26786 [1,0,0,1,0,0|0,0,0]=2 95 B14R2.21 O=C1CCCC(C2=CC=CC=C2)C1 18038 [0,1,0,1,0,0|0,0,2]=4 96 B14R2.716 NC1=CC=CC(CN2CCCC2)=C1 17471 [0,1,0,1,0,0|2,0,0]=4 97 B14R2.8719 O=C1CCCCC2=CC(Cl)=CC=C12 20011 [0,1,0,1,0,0|0,0,2]=4 98 B14R2.68 BrC1=CC=C(C2CCCCN2)C=C1 17621 [0,1,0,1,0,0|1,0,0]=3 99 B14R2.68 CC1=CC=C(C2CNCCO2)C=C1 23838 [0,1,0,1,0,0|1,0,0]=3 100 B14R2.68 CC1=CC=C(C2COCCN2)C=C1 23613 [0,1,0,1,0,0|2,0,0]=4 101 B14R2.68 ClC1=CC=C(C2CNCCN2)C=C1 23682 [0,1,0,1,0,0|2,0,0]=4 102 B14R2.68 ClC1=CC=C(C2COCCN2)C=C1 23611 [0,1,0,1,0,0|2,0,0]=4 103 B14R2.68 FC1=CC=C(C2CCCCN2)C=C1 23491 [0,1,0,1,0,0|1,0,0]=3 104 B14R2.68 FC1=CC=C(C2CNCCO2)C=C1 23562 [0,1,0,1,0,0|1,0,0]=3 105 B14R2.68 FC1=CC=C(C2CNCCS2)C=C1 23584 [0,1,0,1,0,0|1,1,0]=4 106 B14R2.68 FC1=CC=C(C2COCCN2)C=C1 23612 [0,1,0,1,0,0|2,0,0]=4 107 B14R2.68 FC1=CC=C(C2CSCCN2)C=C1 23541 [0,1,0,1,0,0|2,0,0]=4 108 B14R2.68 NC1CCC(C2=CC=CC=C2)CC1 18077 [0,1,0,1,0,0|1,0,0]=3 109 B14R2.72 CC1=CC=C(CC2CCNC2)C=C1 23605 [0,1,0,1,0,0|2,0,0]=4 110 B14R2.72 ClC1=CC=C(CC2CCNC2)C=C1 23729 [0,1,0,1,0,0|2,0,0]=4 111 B14R2.72 FC1=CC=C(CC2CCCN2)C=C1 17429 [0,1,0,1,0,0|1,0,0]=3 112 B14R2.72 FC1=CC=C(CC2CCNC2)C=C1 18832 [0,1,0,1,0,0|2,0,0]=4 113 B14R2.72 FC1=CC=C(CC2CCNC2)C=C1 23604 [0,1,0,1,0,0|2,0,0]=4 114 B14R2.72 NC1=CC=C(CN2CCCC2)C=C1 17275 [0,1,0,1,0,0|2,0,0]=4 115 B14R2.6 C1=CC(CC2CCCNC2)=CN=C1 23738 [0,1,0,1,0,0|2,0,0]=4 116 B14R2.6 C1=CC(CC2CCNCC2)=CC=N1 23652 [0,1,0,1,0,0|2,0,0]=4 117 B14R2.6 C1=CC(CC2CCNCC2)=CN=C1 23651 [0,1,0,1,0,0|2,0,0]=4 118 B14R2.6 C1=CC=C(CC2CCCNC2)C=C1 17259 [0,1,0,1,0,0|1,0,0]=3 119 B14R2.6 C1=CC=C(CC2CCCNC2)C=C1 23707 [0,1,0,1,0,0|1,0,0]=3 120 B14R2.6 C1=CC=C(CC2CCNCC2)C=C1 23231 [0,1,0,1,0,0|1,0,0]=3 121 B14R2.6 C1=CC=C(CC2COCCN2)C=C1 23733 [0,1,0,1,0,0|1,0,0]=3 122 B14R2.6 C1=CC=C(CN2CCNCC2)C=C1 28874 [0,1,0,1,0,0|2,0,0]=4 123 B14R2.6 C1=CC=C(OC2CCCNC2)C=C1 23767 [0,1,0,1,0,0|2,0,0]=4 124 B14R2.6 C1=CC=C(OC2CCNCC2)C=C1 17386 [0,1,0,1,0,0|2,0,0]=4 125 B14R2.6 C1=CC=C(SC2CCCNC2)C=C1 23773 [0,1,0,1,0,0|2,0,0]=4 126 B14R2.6 C1=CC=C(SC2CCNCC2)C=C1 17712 [0,1,0,1,0,0|2,0,0]=4 127 B14R2.6 C1=CN=C(CC2CCNCC2)C=C1 23650 [0,1,0,1,0,0|2,0,0]=4 128 B14R2.24 CN1CCNCC1C2=CC=CC=C2 18522 [0,1,0,1,0,0|2,0,0]=4 129 B14R2.24 ClC1=C(C2CNCCS2)C=CC=C1 23586 [0,1,0,1,0,0|1,1,0]=4 130 B14R2.24 ClC1=C(C2CSCCN2)C=CC=C1 23543 [0,1,0,1,0,0|2,0,0]=4 131 B14R2.24 ClC1=CC=CC=C1C2CNCCO2 23564 [0,1,0,1,0,0|1,0,0]=3 132 B14R2.24 ClC1=CC=CC=C1C2COCCN2 23615 [0,1,0,1,0,0|2,0,0]=4 133 B14R2.78 NCC1CCN1CC2=CC=CC=C2 19304 [0,1,0,1,0,0|1,0,0]=3 134 B14R2.101 C1=CC=C(CCC2CCCN2)C=C1 23329 [0,1,0,1,0,0|1,0,0]=3 135 B14R2.101 C1=CC=C(CCC2CCNC2)C=C1 23443 [0,1,0,1,0,0|1,0,0]=3 136 B14R2.7150 NCCN1CCCC2=C1C=CC=C2 19879 [0,1,0,1,0,0|1,0,0]=3 137 B14R2.7150 NCCN1CCCC2=CC=CC=C21 17933 [0,1,0,1,0,0|1,0,0]=3 138 B14R2.112 NCCC1COC2=C(C=CC=C2)O1 18535 [0,1,0,1,0,0|2,0,0]=4 139 B14R2.31359 O=C(O)C1CCCC2=C1C=CC=C2 17416 [0,1,0,1,0,0|0,0,1]=3 140 B14R2.31359 O=C(O)C1NCCC2=C1C=CC=C2 17415 [0,1,0,1,0,0|1,0,1]=4 141 B14R2.31359 O=C(O)C1OCCC2=C1C=CC=C2 23283 [0,1,0,1,0,0|1,0,1]=4 142 B14R2.31359 O=C(O)[C@@H]1CCCC2=C1C=CC=C2 23181 [0,1,0,1,0,0|0,0,1]=3 143 B14R2.31359 O=C(O)[C@H]1CCCC2=C1C=CC=C2 23180 [0,1,0,1,0,0|0,0,1]=3 144 B14R2.31359 O=C(O)[C@H]1NCCC2=C1C=CC=C2 17853 [0,1,0,1,0,0|1,0,1]=4 145 B14R2.50 ClC1=CC=CC=C1CC2CCNC2 23732 [0,1,0,1,0,0|2,0,0]=4 146 B14R2.50 NC1=C(CN2CCCC2)C=CC=C1 18000 [0,1,0,1,0,0|2,0,0]=4 147 B10R1.21 CCCCCN1C=CN=C1 29309 [1,0,0,0,1,0|2,0,0]=4