0 B10R1.17 FCCNC1=CC=CC=C1 CS-W023117 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.17 O=CC#CC1=CC=CC=C1 CS-W009214 [0,0,0,0,0,0|2,0,2]=4 2 B9R1.8 CCCC1=CC=CC=C1 CS-0035165 [1,0,0,0,0,0|0,0,0]=1 3 B9R1.8 CNCC1=NC=CC=C1 CS-0062387 [1,0,0,0,0,0|1,0,0]=2 4 B9R1.8 NNCC1=CC=CN=C1 CS-W021776 [1,0,0,0,0,0|2,0,0]=3 5 B11R1.1 CCNCC1=CC=C(C)C=C1 CS-0045363 [0,1,0,0,0,0|2,0,0]=3 6 B11R1.1 CCOCC1=CN=C(Cl)C=C1 CS-0064935 [0,1,0,0,0,0|3,0,0]=4 7 B11R1.1 FC1=CC=C(OCCCl)C=C1 CS-0047034 [0,1,0,0,0,0|3,0,0]=4 8 B11R1.16 OC(CCCl)C1=CC=CC=C1 CS-W019837 [0,1,0,0,0,0|2,0,0]=3 9 B11R1.17 NCCOC1=CC=CC=C1F CS-0090999 [0,1,0,0,0,0|3,0,0]=4 10 B11R1.24 C#CCOC1=CC=CC(N)=C1 CS-0088941 [0,1,0,0,0,0|2,0,1]=4 11 B11R1.24 FC1=CC=CC(OCCBr)=C1 CS-0038703 [0,1,0,0,0,0|3,0,0]=4 12 B11R1.24 NCCOC1=CC=CC(Br)=C1 CS-0018040 [0,1,0,0,0,0|3,0,0]=4 13 B11R1.24 O=CCCC1=CC=CC(Br)=C1 CS-B0312 [0,1,0,0,0,0|2,0,0]=3 14 B11R1.24 OCCCC1=CC=CC(Br)=C1 CS-B0313 [0,1,0,0,0,0|2,0,0]=3 15 B11R1.28 C#CCNCC1=CC=CC=C1 CS-0047035 [0,1,0,0,0,0|1,0,1]=3 16 B11R1.28 OCCCCC1=CC=NC=C1 CS-0028752 [0,1,0,0,0,0|2,0,0]=3 17 B11R1.40 COC(=O)CC1=CC=CN=C1 CS-0037030 [0,1,0,0,0,0|2,0,1]=4 18 B11R1.40 [C@H](N)(CO)CC1=CC=CC=C1 CS-W018114 [0,1,0,0,0,0|2,0,0]=3 19 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 CS-W021067 [0,1,0,0,0,0|1,0,1]=3 20 B11R2.1 CC1=NOC2=CC=CC=C21 CS-W008538 [0,0,0,1,0,0|3,0,0]=4 21 B11R2.1 NC1=NCC2=CC=CC=C21 CS-B1325 [0,0,0,1,0,0|3,0,0]=4 22 B11R2.1 NC1COC2=CC=CC=C21 CS-0070832 [0,0,0,1,0,0|3,0,0]=4 23 B11R2.20 C1=CC=C2OCCCC2=C1 CS-M3130 [0,0,0,1,0,0|2,0,0]=3 24 B11R2.20 C1=NC2=C(CCCC2)N=C1 CS-W022273 [0,0,0,1,0,0|3,0,0]=4 25 B11R2.20 C1=NC=C2CCCNC2=C1 CS-W006210 [0,0,0,1,0,0|3,0,0]=4 26 B11R2.20 C1=NC=C2CCNCC2=C1 CS-WAA0313 [0,0,0,1,0,0|1,0,0]=2 27 B11R2.20 C1=NC=C2CNCCC2=C1 CS-D0201 [0,0,0,1,0,0|1,0,0]=2 28 B8R1.2 NCC1=CC=NC=C1 CS-W005997 [2,0,0,0,0,0|1,0,0]=3 29 B8R1.2 NCC1=NC=NC=C1 CS-W018555 [2,0,0,0,0,0|2,0,0]=4 30 B8R1.2 NNC1=CC=CC=N1 CS-W007453 [2,0,0,0,0,0|2,0,0]=4 31 B8R1.2 NNC1=CC=CN=C1 CS-W021932 [2,0,0,0,0,0|2,0,0]=4 32 B8R1.2 SCC1=NC=CC=C1 CS-D0562 [2,0,0,0,0,0|2,0,0]=4 33 B10R1.1 CCOC1=CC=C(O)C=C1 CS-W016502 [1,1,0,0,0,0|1,0,0]=3 34 B10R1.1 CCOC1=CN=C(N)C=C1 CS-W022370 [1,1,0,0,0,0|2,0,0]=4 35 B10R1.1 CCOC1=NC=C(Br)C=C1 CS-0014710 [1,1,0,0,0,0|2,0,0]=4 36 B10R1.1 NCCC1=CC=C(Br)C=C1 CS-W009109 [1,1,0,0,0,0|0,0,0]=2 37 B10R1.4 CC1=CC=CC=C1CON CS-B1209 [1,1,0,0,0,0|1,0,0]=3 38 B10R1.4 CCNC1=C(N)C=NC=C1 CS-0047266 [1,1,0,0,0,0|2,0,0]=4 39 B10R1.4 N#CCC1=CC=CC=C1I CS-0041514 [1,1,0,0,0,0|0,0,2]=4 40 B10R1.10 CC1=CC(CNN)=CC=C1 CS-0046882 [1,1,0,0,0,0|1,0,0]=3 41 B10R1.10 CNCC1=CC=CC(Cl)=C1 CS-0030402 [1,1,0,0,0,0|0,0,0]=2 42 B10R1.10 N#CCC1=CC=CC(Br)=C1 CS-W008786 [1,1,0,0,0,0|0,0,2]=4 43 B10R1.10 N#CCC1=CC=CC(N)=C1 CS-W018941 [1,1,0,0,0,0|0,0,2]=4 44 B10R1.15 C#CC(C)C1=CC=CC=C1 CS-B0615 [1,1,0,0,0,0|0,0,2]=4 45 B10R1.15 C#CC(O)C1=CC=CC=C1 CS-W013411 [1,1,0,0,0,0|0,0,2]=4 46 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 CS-0028334 [1,1,0,0,0,0|0,0,0]=2 47 B10R1.15 OCC(O)C1=CC=CC=C1 CS-W016504 [1,1,0,0,0,0|1,0,0]=3 48 B10R1.18 CC(=O)CC1=NC=CC=C1 CS-W008575 [1,1,0,0,0,0|1,0,1]=4 49 B10R1.18 CC(C)=CC1=CC=CC=C1 CS-W007259 [1,1,0,0,0,0|0,0,2]=4 50 B12R1.1 CCCCOC1=CN=C(Br)C=C1 CS-0046951 [0,2,0,0,0,0|2,0,0]=4 51 B12R1.49 N=C(CC1=CC=C(O)C=C1)NO CS-0037137 [0,2,0,0,0,0|1,0,1]=4 52 B12R1.17 C=CCC(N)C1=CC=CC(Cl)=C1 CS-0084577 [0,2,0,0,0,0|1,0,1]=4 53 B12R1.30 CCOCC(N)C1=CC=CC=C1 CS-0069368 [0,2,0,0,0,0|1,0,0]=3 54 B12R1.34 COC(=O)C(C)C1=CC=CC=C1 CS-0047037 [0,2,0,0,0,0|1,0,1]=4 55 B12R1.107 CN(C)C[C@@H](N)C1=CC=CC=C1 CS-M3606 [0,2,0,0,0,0|0,0,0]=2 56 B12R1.121 CCCOC1=CC=CC=C1C=O CS-0084129 [0,2,0,0,0,0|2,0,0]=4 57 B12R1.371 COC(=O)CC1=CC=CC=C1Br CS-W004685 [0,2,0,0,0,0|1,0,1]=4 58 B12R1.371 COC(=O)CC1=CC=CC=C1N CS-0042528 [0,2,0,0,0,0|1,0,1]=4 59 B12R1.50 COC(=O)CC1=CC=CC(C)=C1 CS-0088535 [0,2,0,0,0,0|1,0,1]=4 60 B12R1.8 BrCCCOCC1=CC=CC=C1 CS-W001590 [0,2,0,0,0,0|1,0,0]=3 61 B12R1.27 NCC(=O)OCC1=CC=CC=C1 CS-W005117 [0,2,0,0,0,0|2,0,0]=4 62 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 CS-W019479 [0,2,0,0,0,0|1,0,0]=3 63 B12R1.252 O=C(O)CNCC1=CC=CC=C1 CS-W016075 [0,2,0,0,0,0|2,0,0]=4 64 B12R1.118 OCC(CO)CC1=CC=CC=C1 CS-M1742 [0,2,0,0,0,0|2,0,0]=4 65 B10R2.7 C1=CN=C2NCCC2=C1 CS-B0149 [1,0,0,1,0,0|1,0,0]=3 66 B10R2.320 BrC1CC2=CC=CC=C21 CS-W017070 [1,0,0,1,0,0|1,0,0]=3 67 B10R2.320 O=C1CC2=C1C=CC=C2 CS-W022591 [1,0,0,1,0,0|1,0,1]=4 68 B12R2.24 BrC1=CC2=C(C=C1)CCCN2 CS-0042152 [0,1,0,1,0,0|2,0,0]=4 69 B12R2.24 BrC1=CC2=C(C=C1)CNCC2 CS-D0238 [0,1,0,1,0,0|0,0,0]=2 70 B12R2.24 BrC1=CC2=C(C=C1)OCCC2 CS-M3131 [0,1,0,1,0,0|2,0,0]=4 71 B12R2.24 BrC1=CC=C2COCCC2=C1 CS-0037712 [0,1,0,1,0,0|1,0,0]=3 72 B12R2.24 BrC1=CC=C2NCCCC2=C1 CS-W019748 [0,1,0,1,0,0|2,0,0]=4 73 B12R2.24 CC1=CC2=C(C=C1)CCNC2 CS-0018990 [0,1,0,1,0,0|0,0,0]=2 74 B12R2.24 CC1=CC=C2CCNCC2=C1 CS-0035862 [0,1,0,1,0,0|0,0,0]=2 75 B12R2.24 ClC1=CC2=C(C=C1)CCCN2 CS-0043151 [0,1,0,1,0,0|2,0,0]=4 76 B12R2.24 ClC1=CC2=C(C=C1)NCCC2 CS-0093764 [0,1,0,1,0,0|2,0,0]=4 77 B12R2.24 NC1=CC2=C(C=C1)CCCN2 CS-0100209 [0,1,0,1,0,0|2,0,0]=4 78 B12R2.24 NC1=CC2=C(C=C1)CCCN2 CS-W001873 [0,1,0,1,0,0|2,0,0]=4 79 B12R2.24 NC1=CC2=C(CCCC2)N=C1 CS-0102099 [0,1,0,1,0,0|2,0,0]=4 80 B12R2.24 NC1=CC2=C(CCOC2)N=C1 CS-0037636 [0,1,0,1,0,0|2,0,0]=4 81 B12R2.24 NC1=NC=C2CNCCC2=N1 CS-W020195 [0,1,0,1,0,0|2,0,0]=4 82 B12R2.24 OC1=CC2=C(C=C1)CNCC2 CS-M3291 [0,1,0,1,0,0|0,0,0]=2 83 B12R2.24 OC1=CC2=C(C=C1)CNCC2 CS-M3353 [0,1,0,1,0,0|0,0,0]=2 84 B12R2.24 OC1CNC2=C(C=CC=C2)C1 CS-B0459 [0,1,0,1,0,0|2,0,0]=4 85 B12R2.132 CN1C=CC2=C1C=C(Br)C=C2 CS-0097300 [0,1,0,1,0,0|0,0,2]=4 86 B12R2.132 CN1N=CC2=C1C=C(Cl)C=C2 CS-W022474 [0,1,0,1,0,0|1,0,1]=4 87 B12R2.132 CN1N=CC2=CC=C(Br)C=C21 CS-D0266 [0,1,0,1,0,0|1,0,1]=4 88 B12R2.132 CN1N=NC2=CC=C(Br)C=C21 CS-W018841 [0,1,0,1,0,0|2,0,0]=4 89 B12R2.132 NC1=CC2=C(C=C1)CCC2=O CS-W020513 [0,1,0,1,0,0|2,0,0]=4 90 B12R2.132 NC1CCC2=C1C=C(Cl)C=C2 CS-0101141 [0,1,0,1,0,0|2,0,0]=4 91 B12R2.132 O=C1CCC2=CC=C(Cl)C=C12 CS-B1314 [0,1,0,1,0,0|2,0,0]=4 92 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 CS-W019085 [0,1,0,1,0,0|0,0,0]=2 93 B12R2.2 C1=CN=C(C2CCNC2)C=C1 CS-0028223 [0,1,0,1,0,0|1,0,0]=3 94 B12R2.116 NC1(C2=CC=CC=C2)COC1 CS-0046823 [0,1,0,1,0,0|1,0,0]=3 95 B12R2.1081 BrC1=C2COCCC2=CC=C1 CS-0037565 [0,1,0,1,0,0|1,0,0]=3 96 B12R2.1081 BrC1=CC=CC2=C1CCCO2 CS-0042134 [0,1,0,1,0,0|2,0,0]=4 97 B12R2.1081 BrC1=CC=CC2=C1CCNC2 CS-D0886 [0,1,0,1,0,0|0,0,0]=2 98 B12R2.1081 BrC1=CC=CC2=C1CCNC2 CS-W022295 [0,1,0,1,0,0|0,0,0]=2 99 B12R2.1081 BrC1=CC=CC2=C1CNCC2 CS-W019710 [0,1,0,1,0,0|0,0,0]=2 100 B12R2.1081 C[C@@H]1CNCC2=C1C=CC=C2 CS-0047287 [0,1,0,1,0,0|0,0,0]=2 101 B12R2.1081 N[C@@H]1CCCC2=CC=CN=C21 CS-M1733 [0,1,0,1,0,0|2,0,0]=4 102 B12R2.1081 O=C1CCOC2=CC=CC=C12 CS-W007464 [0,1,0,1,0,0|2,0,0]=4 103 B12R2.1081 O=C1N=CNC2=C1CCNC2 CS-D0072 [0,1,0,1,0,0|2,0,0]=4 104 B12R2.1081 O=C1N=CNC2=C1CNCC2 CS-D0338 [0,1,0,1,0,0|2,0,0]=4 105 B12R2.1081 O=C1NCCC2=C1C=CC=C2 CS-W008863 [0,1,0,1,0,0|0,0,1]=3 106 B12R2.1081 OC1=C2CCNCC2=CC=C1 CS-0035767 [0,1,0,1,0,0|0,0,0]=2 107 B12R2.1081 OC1=CC=NC2=C1CCCC2 CS-0096033 [0,1,0,1,0,0|2,0,0]=4 108 B12R2.1081 O[C@@H]1CCCC2=C1C=CC=C2 CS-0079970 [0,1,0,1,0,0|1,0,0]=3 109 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 CS-0079961 [0,1,0,1,0,0|1,0,0]=3 110 B12R2.2028 CN1C=[N+](C)C2=CC=CC=C21 CS-0091484 [0,1,0,1,0,0|1,0,1]=4 111 B12R2.2028 CN1N=C(I)C2=C1C=CC=C2 CS-0051321 [0,1,0,1,0,0|1,0,1]=4 112 B12R2.32 C#CC1CC2=CC=CC=C2C1 CS-B0618 [0,1,0,1,0,0|1,0,1]=4 113 B12R2.32 CNC1=NC2=C(C=CC=C2)S1 CS-0038973 [0,1,0,1,0,0|1,0,1]=4 114 B12R2.196 CN1N=CC2=C1C=CC=C2Br CS-0045009 [0,1,0,1,0,0|1,0,1]=4 115 B12R2.196 CN1N=CC2=C1C=CC=C2N CS-W019852 [0,1,0,1,0,0|1,0,1]=4 116 B12R2.196 CN1N=CC2=C1C=CC=C2O CS-0054264 [0,1,0,1,0,0|1,0,1]=4 117 B12R2.196 N[C@@H]1CCC2=C1C=CC=C2Br CS-0054964 [0,1,0,1,0,0|2,0,0]=4 118 B12R2.196 N[C@H]1CCC2=C1C=CC=C2Br CS-0054965 [0,1,0,1,0,0|2,0,0]=4 119 B12R2.196 O=C1CCC2=C(Cl)C=CC=C12 CS-W008929 [0,1,0,1,0,0|2,0,0]=4 120 B12R2.203 CN1N=CC2=C1C(N)=CC=C2 CS-0006064 [0,1,0,1,0,0|1,0,1]=4 121 B12R2.203 O=C1CCC2=CC=CC(F)=C12 CS-D0686 [0,1,0,1,0,0|2,0,0]=4 122 B12R2.203 OC1CCC2=C1C(Br)=CC=C2 CS-0101685 [0,1,0,1,0,0|2,0,0]=4 123 B12R2.612 NC1CCC2=C1C=CC(Br)=C2 CS-0101114 [0,1,0,1,0,0|2,0,0]=4 124 B12R2.612 NC1CCC2=C1C=CC(Cl)=C2 CS-W023083 [0,1,0,1,0,0|2,0,0]=4 125 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 CS-0099142 [0,1,0,1,0,0|2,0,0]=4 126 B12R2.612 O=C1CCC2=CC(Br)=CC=C12 CS-W008687 [0,1,0,1,0,0|2,0,0]=4 127 B12R2.612 OC1CCC2=CC(Br)=CC=C21 CS-0035517 [0,1,0,1,0,0|2,0,0]=4 128 B12R2.612 O[C@@H]1CCC2=CC(Br)=CC=C21 CS-0037358 [0,1,0,1,0,0|2,0,0]=4 129 B12R2.1286 FC1=CC(OC2CC2)=CC=C1 CS-0087977 [0,1,0,1,0,0|2,0,0]=4 130 B12R2.1 C#CC1CCC2=CC=CC=C21 CS-B0617 [0,1,0,1,0,0|1,0,1]=4 131 B12R2.1 ClCN1N=NC2=CC=CC=C21 CS-0059188 [0,1,0,1,0,0|2,0,0]=4 132 B12R2.23 O=C1CCN1C2=CC=CC=C2 CS-0047218 [0,1,0,1,0,0|2,0,0]=4 133 B12R2.2403 CC1(O)CCC2=CC=CC=C21 CS-0047056 [0,1,0,1,0,0|1,0,0]=3 134 B8R1.8 NCCN1C=CN=C1 CS-W005094 [1,0,0,0,1,0|2,0,0]=4 135 B8R1.8 OCCC1=CC=CO1 CS-0047160 [1,0,0,0,1,0|2,0,0]=4