0 B11R1.41 N#CC1=CC=CC=C1CCO CS-0269453 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.4 CC1=C(CCO)C=CN=C1 CS-0634162 [1,0,0,0,0,0|2,0,0]=3 2 B10R1.4 CC1=CC=CC=C1CON CS-0080700 [1,0,0,0,0,0|1,0,0]=2 3 B10R1.4 CCCC1=NC=CC=C1O CS-0628864 [1,0,0,0,0,0|2,0,0]=3 4 B10R1.20 C#CC1=C(OC)C=CN=C1 CS-0609705 [1,0,0,0,0,0|1,0,2]=4 5 B10R1.20 COC1=CN=CC=C1C=O CS-W005812 [1,0,0,0,0,0|2,0,1]=4 6 B12R1.77 CC[C@H](N)C1=CC=CC=C1OC CS-0357466 [0,1,0,0,0,0|1,0,0]=2 7 B12R1.77 COC(=O)C1=CC=CC=C1OC CS-0014015 [0,1,0,0,0,0|2,0,1]=4 8 B12R1.121 COC1=C(OCCCl)C=CC=C1 CS-0643369 [0,1,0,0,0,0|1,0,0]=2 9 B12R1.121 COC1=CC=CC=C1\C=C\C=O CS-0201507 [0,1,0,0,0,0|1,0,2]=4 10 B12R1.268 CCOC1=C(OC)C=CC(Br)=C1 CS-0061640 [0,1,0,0,0,0|2,0,0]=3 11 B12R1.268 COC1=C(NC=O)C=C(N)C=C1 CS-0715923 [0,1,0,0,0,0|2,0,1]=4 12 B12R2.18 CC1CC2=C(C=CC=C2)C1N CS-0260386 [0,0,0,1,0,0|3,0,0]=4 13 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@H]1O CS-0147141 [0,0,0,1,0,0|3,0,0]=4 14 B12R2.24 BrC1CCC2=C(C=CC=C2)C1 CS-0473434 [0,0,0,1,0,0|2,0,0]=3 15 B12R2.24 CC1COC2=C(C=CC=C2)N1 CS-0037800 [0,0,0,1,0,0|2,0,0]=3 16 B12R2.24 NC1CCC2=C(C=CC=N2)C1 CS-0653269 [0,0,0,1,0,0|2,0,0]=3 17 B12R2.41 C1=CC=C2CNCCCC2=C1 CS-W018800 [0,0,0,1,0,0|3,0,0]=4 18 B12R2.41 C1=CC=C2OCCCOC2=C1 CS-0186735 [0,0,0,1,0,0|2,0,0]=3 19 B12R2.315 COC1=CC=CC2=C1C=NS2 CS-0646163 [0,0,0,1,0,0|2,0,1]=4 20 B12R2.315 O=CC1=CC=CC2=C1CCC2 CS-0139107 [0,0,0,1,0,0|3,0,0]=4 21 B12R2.1081 CN1CCCC2=CC=CC=C21 CS-0151091 [0,0,0,1,0,0|2,0,0]=3 22 B12R2.1081 S=C1NCCC2=C1C=CC=C2 CS-0261447 [0,0,0,1,0,0|2,0,0]=3 23 B9R1.8 NNCC1=CC=CN=C1 CS-W021776 [2,0,0,0,0,0|2,0,0]=4 24 B9R1.15 CCC1=CC=CC=C1F CS-0452670 [2,0,0,0,0,0|1,0,0]=3 25 B9R1.15 CNC1=C(N)C=CN=C1 CS-0090255 [2,0,0,0,0,0|2,0,0]=4 26 B9R1.15 COC1=C(Br)C=CN=C1 CS-0006068 [2,0,0,0,0,0|2,0,0]=4 27 B9R1.15 COC1=C(Cl)C=NC=C1 CS-0030492 [2,0,0,0,0,0|2,0,0]=4 28 B9R1.15 COC1=CC=CC=C1F CS-W011162 [2,0,0,0,0,0|1,0,0]=3 29 B9R1.15 COC1=CC=NC=C1I CS-W006465 [2,0,0,0,0,0|2,0,0]=4 30 B9R1.15 COC1=CN=CC=C1I CS-0196684 [2,0,0,0,0,0|2,0,0]=4 31 B9R1.15 COC1=NN=CC=C1N CS-0201511 [2,0,0,0,0,0|2,0,0]=4 32 B9R1.15 CSC1=C(N)C=CN=C1 CS-0612003 [2,0,0,0,0,0|1,1,0]=4 33 B9R1.15 NCC1=C(Br)C=CN=C1 CS-0102145 [2,0,0,0,0,0|2,0,0]=4 34 B9R1.15 NCC1=C(Cl)C=CC=N1 CS-W007044 [2,0,0,0,0,0|2,0,0]=4 35 B9R1.15 NCC1=C(F)C=CN=C1 CS-0637309 [2,0,0,0,0,0|2,0,0]=4 36 B9R1.15 NCC1=C(N)C=CC=C1 CS-0072249 [2,0,0,0,0,0|1,0,0]=3 37 B9R1.15 NNC1=CC=CC=C1Cl CS-W002086 [2,0,0,0,0,0|2,0,0]=4 38 B9R1.15 OCC1=CC=CC=C1O CS-4863 [2,0,0,0,0,0|1,0,0]=3 39 B9R1.15 OCC1=NC=CC=C1O CS-0376840 [2,0,0,0,0,0|2,0,0]=4 40 B11R1.17 CC1=C(CCCO)C=NC=C1 CS-0234550 [1,1,0,0,0,0|2,0,0]=4 41 B11R1.17 CC1=CC=CC=C1CCCO CS-0307979 [1,1,0,0,0,0|1,0,0]=3 42 B11R1.17 NCCOC1=C(Cl)C=CC=N1 CS-0759504 [1,1,0,0,0,0|2,0,0]=4 43 B11R1.17 OC1=CC=CC=C1CCCBr CS-0511646 [1,1,0,0,0,0|1,0,0]=3 44 B11R1.81 NOCC1=CC=C(F)C=C1F CS-0237523 [1,1,0,0,0,0|2,0,0]=4 45 B11R1.182 CC1=CC=C(F)C=C1CON CS-0648898 [1,1,0,0,0,0|1,0,0]=3 46 B11R1.182 CCOC1=C(O)C=CC(Br)=C1 CS-0314201 [1,1,0,0,0,0|2,0,0]=4 47 B11R1.182 OCCC1=CC(Br)=CC=C1Br CS-0437753 [1,1,0,0,0,0|2,0,0]=4 48 B11R1.222 CC1=CC=CC=C1[C@@H](N)CO CS-0537999 [1,1,0,0,0,0|1,0,0]=3 49 B11R1.222 N[C@H](CO)C1=CC=CC=C1Br CS-0196583 [1,1,0,0,0,0|2,0,0]=4 50 B11R1.37 COC1=CC(Br)=CC=C1CN CS-0627712 [1,1,0,0,0,0|0,0,0]=2 51 B11R1.37 COC1=CC(Br)=CN=C1SC CS-0882342 [1,1,0,0,0,0|2,0,0]=4 52 B11R1.37 COC1=CC(O)=CC=C1CN CS-0626394 [1,1,0,0,0,0|0,0,0]=2 53 B11R1.37 COC1=CC=C(N)C=C1CO CS-0216598 [1,1,0,0,0,0|1,0,0]=3 54 B11R1.37 COC1=CN=C(N)C=C1OC CS-0159611 [1,1,0,0,0,0|2,0,0]=4 55 B11R1.37 COC1=NC(Br)=CC=C1CO CS-0144673 [1,1,0,0,0,0|2,0,0]=4 56 B11R1.37 COC1=NC=C(Cl)C=C1CN CS-0303326 [1,1,0,0,0,0|1,0,0]=3 57 B11R1.37 COC1=NC=C(F)C=C1CCl CS-0620812 [1,1,0,0,0,0|2,0,0]=4 58 B11R1.53 CCC1=CC=CC=C1C(C)N CS-0672328 [1,1,0,0,0,0|1,0,0]=3 59 B11R1.53 CCC1=CC=CC=C1C(N)=O CS-0524410 [1,1,0,0,0,0|1,0,1]=4 60 B11R1.53 COC1=C(C(C)C)N=CC=N1 CS-W013294 [1,1,0,0,0,0|2,0,0]=4 61 B11R1.53 COC1=C([C@@H](C)O)C=CC=N1 CS-0620522 [1,1,0,0,0,0|1,0,0]=3 62 B11R1.53 C[C@@H](N)C1=CC=CC=C1CO CS-0691106 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.53 C[C@H](N)C1=CC=CC=C1CO CS-0691153 [1,1,0,0,0,0|2,0,0]=4 64 B11R1.265 CCC1=C(CO)C(Cl)=CC=C1 CS-0529138 [1,1,0,0,0,0|2,0,0]=4 65 B11R1.265 COC1=C(C=O)C(N)=CC=C1 CS-0371357 [1,1,0,0,0,0|1,0,1]=4 66 B11R1.265 COC1=C(CN)C=CC=C1Br CS-0307961 [1,1,0,0,0,0|0,0,0]=2 67 B11R1.265 COC1=C(CN)C=CN=C1Cl CS-0903094 [1,1,0,0,0,0|1,0,0]=3 68 B11R1.265 COC1=C(CO)C(N)=CC=C1 CS-0378757 [1,1,0,0,0,0|1,0,0]=3 69 B11R1.265 COC1=C(CO)C=CN=C1Cl CS-0190419 [1,1,0,0,0,0|2,0,0]=4 70 B11R1.265 COC1=CC=CC(F)=C1CO CS-0195155 [1,1,0,0,0,0|1,0,0]=3 71 B13R1.89 COC1=CC=CC=C1[C@@H](O)C(=O)O CS-0611589 [0,2,0,0,0,0|1,0,1]=4 72 B13R1.115 COC1=C(NC(N)=S)C=CC=C1F CS-1097464 [0,2,0,0,0,0|1,0,1]=4 73 B13R1.2135 COC1=C(CC(=O)O)C(F)=CC=C1 CS-0031348 [0,2,0,0,0,0|1,0,1]=4 74 B13R1.3089 COC1=CC=C(Br)C=C1OC(F)F CS-0675100 [0,2,0,0,0,0|2,0,0]=4 75 B13R1.382 CCOC1=CC=CC=C1C(=O)OC CS-0187475 [0,2,0,0,0,0|2,0,0]=4 76 B13R1.464 COC1=CC=CC=C1C(=O)CC#N CS-0199534 [0,2,0,0,0,0|0,0,2]=4 77 B13R1.2129 COC1=C(C(C)(C)C#N)C=CC=C1 CS-0634164 [0,2,0,0,0,0|0,0,2]=4 78 B13R1.1249 CCOC1=CC=C(C=O)C=C1OC CS-0075664 [0,2,0,0,0,0|2,0,0]=4 79 B11R1.280 COC1=CC=C(C)C(CN)=C1 CS-0651836 [0,0,1,1,0,0|0,0,2]=4 80 B11R1.267 COC1=C(O)C(CN)=CC=C1 CS-0626402 [0,0,1,1,0,0|1,0,1]=4 81 B11R2.10 CC1CC2=CC=CC=C2O1 CS-W013370 [1,0,0,1,0,0|1,0,0]=3 82 B11R2.20 C1=CC2=C(CCCC2)N=C1 CS-0173570 [1,0,0,1,0,0|2,0,0]=4 83 B11R2.55 IC1=CC=CC=C1C2CC2 CS-0608043 [1,0,0,1,0,0|2,0,0]=4 84 B11R2.106 CC1=C2CCNC2=NC=C1 CS-0907064 [1,0,0,1,0,0|1,0,0]=3 85 B11R2.106 CC1=C2CCOC2=NC=C1 CS-0691461 [1,0,0,1,0,0|2,0,0]=4 86 B11R2.106 OC1=C2CCNC2=NC=C1 CS-0093336 [1,0,0,1,0,0|1,0,0]=3 87 B11R2.1 NC1CCC2=C1C=NC=C2 CS-0341437 [1,0,0,1,0,0|2,0,0]=4 88 B11R2.1 NC1CCC2=CC=CN=C21 CS-0342385 [1,0,0,1,0,0|2,0,0]=4 89 B11R2.1 NC1COC2=NC=CC=C21 CS-B1356 [1,0,0,1,0,0|1,0,0]=3 90 B11R2.1 N[C@H]1COC2=CC=CC=C21 CS-0342388 [1,0,0,1,0,0|0,0,0]=2 91 B13R2.72 NC(=O)C1CCC2=CC=CC=C21 CS-0662993 [0,1,0,1,0,0|1,0,1]=4 92 B13R2.72 O=C(O)C1COC2=C1C=CC=C2 CS-0072387 [0,1,0,1,0,0|1,0,1]=4 93 B13R2.581 COC1=CC=CC2=C1SC(=S)N2 CS-0912029 [0,1,0,1,0,0|1,0,1]=4 94 B13R2.32 NC1COC2=C(C=CC=C2)C1O CS-0526984 [0,1,0,1,0,0|0,0,0]=2 95 B13R2.32 NC1COC2=CC=CC=C2C1O CS-0526947 [0,1,0,1,0,0|0,0,0]=2 96 B13R2.32 O=C1C2=CC=CC=C2OCC1Br CS-W000656 [0,1,0,1,0,0|1,0,1]=4 97 B13R2.582 COC1=C2C(=O)COC2=CC=C1 CS-0187028 [0,1,0,1,0,0|1,0,1]=4 98 B13R2.582 COC1=CC=CC2=C1C(N)CC2 CS-0303255 [0,1,0,1,0,0|1,0,0]=3 99 B13R2.1613 COC1=CC=CC2=C1OCCN2 CS-0334023 [0,1,0,1,0,0|0,0,0]=2 100 B13R2.2931 NCC1OB(O)C2=CC=CC=C21 CS-0133650 [0,1,0,1,0,0|2,0,0]=4 101 B13R2.162 NC1=CC=CC2=C1CC(O)CC2 CS-B0024 [0,1,0,1,0,0|2,0,0]=4 102 B13R2.662 NCC1=NOC2=CC(F)=CC=C21 CS-0286263 [0,1,0,1,0,0|1,0,1]=4 103 B13R2.662 NCC1CCC2=CC(Cl)=CC=C21 CS-0341899 [0,1,0,1,0,0|1,0,0]=3 104 B13R2.2082 COC1=CC(Br)=CC=C1C2CC2 CS-0194346 [0,1,0,1,0,0|1,0,0]=3 105 B13R2.3683 NC1CCC2=CC(F)=CC=C2C1 CS-0340363 [0,1,0,1,0,0|1,0,0]=3 106 B13R2.1 NCCC1=NNC2=CC=CC=C21 CS-0334700 [0,1,0,1,0,0|2,0,0]=4 107 B13R2.57 CCN1CCC2=C(C=CC=C2)C1 CS-1178819 [0,1,0,1,0,0|2,0,0]=4 108 B13R2.573 COC1=C2CC[C@@H](N)C2=CC=C1 CS-0746203 [0,1,0,1,0,0|0,0,0]=2 109 B13R2.573 COC1=CC=CC2=C1CNC2=O CS-W022207 [0,1,0,1,0,0|1,0,1]=4 110 B13R2.155 NC1CCC2=CC=C(Br)C=C2C1 CS-0157266 [0,1,0,1,0,0|1,0,0]=3 111 B13R2.155 OC1=CC2=C(C=C1)CCC(O)C2 CS-0644228 [0,1,0,1,0,0|2,0,0]=4 112 B13R2.611 COC1=C2OCOC2=C(Br)C=C1 CS-0668536 [0,1,0,1,0,0|2,0,0]=4 113 B13R2.5569 CC(=O)C1=CC=CC2=C1CCC2 CS-0046205 [0,1,0,1,0,0|2,0,0]=4 114 B13R2.9 OCC1COC2=C1C=CN=C2Cl CS-0139723 [0,1,0,1,0,0|2,0,0]=4 115 B13R2.121 COC1=C2OCOC2=CC=C1Br CS-0889021 [0,1,0,1,0,0|2,0,0]=4 116 B13R2.4818 NC1=CC=CC2=C1C(=O)NCC2 CS-0433150 [0,1,0,1,0,0|2,0,0]=4 117 B13R2.4818 O=C1NCCC2=C1C(Br)=CC=C2 CS-0146222 [0,1,0,1,0,0|2,0,0]=4 118 B13R2.4818 O=C1NCCC2=C1C(F)=CC=C2 CS-0528605 [0,1,0,1,0,0|2,0,0]=4 119 B13R2.342 CC1NCCC2=C1C=CC=C2Br CS-0225557 [0,1,0,1,0,0|1,0,0]=3 120 B13R2.342 O=C1NCCC2=C1C=CC=C2I CS-0547598 [0,1,0,1,0,0|2,0,0]=4