0 B11R1.17 CC1=C(CCCO)C=NC=C1 CS-0234550 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.17 CC1=CC=CC=C1CCCO CS-0307979 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.17 OC1=CC=CC=C1CCCBr CS-0511646 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.4 CC1=C(CCO)C=CN=C1 CS-0634162 [1,0,0,0,0,0|3,0,0]=4 4 B10R1.4 CC1=CC=CC=C1CON CS-0080700 [1,0,0,0,0,0|2,0,0]=3 5 B10R1.4 CCCC1=NC=CC=C1O CS-0628864 [1,0,0,0,0,0|2,0,0]=3 6 B10R1.4 CCOC1=C(I)C=CC=N1 CS-W012662 [1,0,0,0,0,0|2,1,0]=4 7 B10R1.4 N#CCC1=CC=CN=C1F CS-0619294 [1,0,0,0,0,0|1,0,2]=4 8 B10R1.17 FCCNC1=CC=CC=C1 CS-W023117 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.17 OCCCC1=NC=CC=C1 CS-0079867 [1,0,0,0,0,0|3,0,0]=4 10 B12R1.125 CC(O)CCC1=CC=CC=C1F CS-0278602 [0,1,0,0,0,0|1,0,0]=2 11 B12R1.125 NC(=O)CCC1=CC=CC=C1Br CS-0453718 [0,1,0,0,0,0|2,1,0]=4 12 B12R1.308 CCC[C@H](N)C1=CC=CC=C1C CS-0196744 [0,1,0,0,0,0|2,0,0]=3 13 B12R1.308 O=C(CCCl)C1=CC=CC=C1F CS-0045341 [0,1,0,0,0,0|2,0,1]=4 14 B12R2.24 BrC1CCC2=C(C=CC=C2)C1 CS-0473434 [0,0,0,1,0,0|3,0,0]=4 15 B12R2.24 CC1COC2=C(C=CC=C2)N1 CS-0037800 [0,0,0,1,0,0|3,0,0]=4 16 B12R2.32 C#CC1CC2=CC=CC=C2C1 CS-B0618 [0,0,0,1,0,0|2,0,1]=4 17 B12R2.32 NCC1CC2=C(C=CC=C2)N1 CS-0887707 [0,0,0,1,0,0|3,0,0]=4 18 B12R2.41 C1=CC=C2CNCCCC2=C1 CS-W018800 [0,0,0,1,0,0|3,0,0]=4 19 B12R2.41 C1=CC=C2OCCCOC2=C1 CS-0186735 [0,0,0,1,0,0|3,0,0]=4 20 B12R2.196 CC1=CC=CC2=C1CCC2N CS-0634160 [0,0,0,1,0,0|3,0,0]=4 21 B12R2.196 N[C@@H]1CCC2=C(O)C=CC=C21 CS-0196994 [0,0,0,1,0,0|3,0,0]=4 22 B12R2.196 N[C@H]1COC2=C(F)C=CC=C21 CS-0196998 [0,0,0,1,0,0|3,0,0]=4 23 B12R2.196 OC1CCC2=C1C=CC=C2F CS-0567328 [0,0,0,1,0,0|2,0,0]=3 24 B12R2.517 BrC1=C(C2CCC2)N=CC=C1 CS-0752809 [0,0,0,1,0,0|2,1,0]=4 25 B12R2.517 BrC1=CC=CC=C1C2CCC2 CS-0726516 [0,0,0,1,0,0|1,1,0]=3 26 B12R2.1081 BrC1=C2COCCC2=CC=C1 CS-0037565 [0,0,0,1,0,0|2,1,0]=4 27 B12R2.1081 CC1=CC=NC2=C1CCCC2 CS-0102388 [0,0,0,1,0,0|3,0,0]=4 28 B12R2.1081 FC1=CC=CC2=C1NCCC2 CS-0244468 [0,0,0,1,0,0|2,0,0]=3 29 B12R2.1081 NC1=C2CCCOC2=CC=C1 CS-0197251 [0,0,0,1,0,0|3,0,0]=4 30 B12R2.1081 NC1=CC=CC2=C1NCCC2 CS-0314714 [0,0,0,1,0,0|3,0,0]=4 31 B12R2.1081 NC1=CC=CC2=C1OCCC2 CS-0210781 [0,0,0,1,0,0|3,0,0]=4 32 B12R2.1081 O=C1NC=CC2=C1CCCC2 CS-0312111 [0,0,0,1,0,0|3,0,0]=4 33 B12R2.1081 O=C1NC=CC2=C1CCNC2 CS-0196561 [0,0,0,1,0,0|2,0,0]=3 34 B12R2.1081 OC1=C2OCCCC2=CC=C1 CS-0438338 [0,0,0,1,0,0|3,0,0]=4 35 B9R1.8 CNCC1=CC=NN=C1 CS-0184080 [2,0,0,0,0,0|2,0,0]=4 36 B9R1.8 NNCC1=CC=CN=C1 CS-W021776 [2,0,0,0,0,0|2,0,0]=4 37 B9R1.15 CCC1=CC=CC=C1F CS-0452670 [2,0,0,0,0,0|0,0,0]=2 38 B9R1.15 CNC1=C(Cl)C=CC=N1 CS-0151037 [2,0,0,0,0,0|1,1,0]=4 39 B9R1.15 CNC1=C(N)C=CN=C1 CS-0090255 [2,0,0,0,0,0|2,0,0]=4 40 B9R1.15 COC1=CC=CC=C1F CS-W011162 [2,0,0,0,0,0|1,0,0]=3 41 B9R1.15 NCC1=C(Br)C=CN=C1 CS-0102145 [2,0,0,0,0,0|1,1,0]=4 42 B9R1.15 NCC1=C(Cl)C=CC=N1 CS-W007044 [2,0,0,0,0,0|1,1,0]=4 43 B9R1.15 NCC1=C(F)C=CN=C1 CS-0637309 [2,0,0,0,0,0|1,0,0]=3 44 B9R1.15 NCC1=C(N)C=CC=C1 CS-0072249 [2,0,0,0,0,0|1,0,0]=3 45 B9R1.15 NNC1=CC=CC=C1Cl CS-W002086 [2,0,0,0,0,0|1,1,0]=4 46 B9R1.15 OCC1=CC=CC=C1O CS-4863 [2,0,0,0,0,0|2,0,0]=4 47 B11R1.13 CCNC1=CC=CC(Br)=C1F CS-0380802 [1,1,0,0,0,0|1,0,0]=3 48 B11R1.13 COCC1=C(F)C(Br)=CC=C1 CS-0192643 [1,1,0,0,0,0|1,0,0]=3 49 B11R1.41 N#CC1=CC=CC=C1CCO CS-0269453 [1,1,0,0,0,0|2,0,0]=4 50 B11R1.81 NOCC1=CC=C(F)C=C1F CS-0237523 [1,1,0,0,0,0|1,0,0]=3 51 B11R1.182 CC1=CC=C(F)C=C1CON CS-0648898 [1,1,0,0,0,0|2,0,0]=4 52 B11R1.182 CCNC1=CC(C)=CC=C1N CS-0885695 [1,1,0,0,0,0|2,0,0]=4 53 B11R1.182 CCOC1=C(O)C=CC(Br)=C1 CS-0314201 [1,1,0,0,0,0|2,0,0]=4 54 B11R1.182 OCCC1=CC(Br)=CC=C1Br CS-0437753 [1,1,0,0,0,0|1,1,0]=4 55 B11R1.222 CC1=CC=CC=C1[C@@H](N)CO CS-0537999 [1,1,0,0,0,0|2,0,0]=4 56 B11R1.222 COC(C)C1=CC=CC=C1N CS-0616718 [1,1,0,0,0,0|2,0,0]=4 57 B11R1.222 N[C@H](CO)C1=CC=CC=C1Br CS-0196583 [1,1,0,0,0,0|1,1,0]=4 58 B11R1.605 CNCC1=C(Cl)C=CC=C1Cl CS-0151011 [1,1,0,0,0,0|0,1,0]=3 59 B11R1.605 COCC1=C(F)C=CC=C1N CS-0626955 [1,1,0,0,0,0|1,0,0]=3 60 B11R1.1 CNCCC1=CC=C(O)C=C1 CS-0209581 [1,1,0,0,0,0|0,0,0]=2 61 B11R1.1 COCOC1=CC=C(Cl)C=C1 CS-0193630 [1,1,0,0,0,0|2,0,0]=4 62 B11R1.1 FC1=CC=C(CCCI)C=C1 CS-0161806 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.16 C#CCC(O)C1=CC=CC=C1 CS-0436845 [1,1,0,0,0,0|1,0,1]=4 64 B11R1.16 CCC[C@@H](N)C1=CC=CC=C1 CS-0454208 [1,1,0,0,0,0|1,0,0]=3 65 B11R1.16 ClCCC(Br)C1=CC=CC=C1 CS-0156511 [1,1,0,0,0,0|2,0,0]=4 66 B11R1.28 COCCNC1=CC=CC=C1 CS-0242309 [1,1,0,0,0,0|1,0,0]=3 67 B11R1.28 ICCOCC1=CC=CC=C1 CS-0146879 [1,1,0,0,0,0|2,0,0]=4 68 B11R1.28 OCCOCC1=CC=CC=C1 CS-0896052 [1,1,0,0,0,0|2,0,0]=4 69 B13R1.75 CCOCC1=CC=C(C#N)C=C1F CS-0623694 [0,2,0,0,0,0|2,0,0]=4 70 B13R1.528 O=C(CCl)NCC1=CC=CC=C1F CS-0461136 [0,2,0,0,0,0|2,0,0]=4 71 B13R1.893 C=C(C)COC1=CC(Br)=CC=C1F CS-0623659 [0,2,0,0,0,0|2,0,0]=4 72 B13R1.158 NC(=O)CCOC1=C(F)C=CC=C1 CS-0926582 [0,2,0,0,0,0|2,0,0]=4 73 B13R1.158 O=C(O)COCC1=CC=CC=C1F CS-0346331 [0,2,0,0,0,0|2,0,0]=4 74 B13R1.4453 N#CCC(O)C1=C(F)C=CC=C1F CS-0305628 [0,2,0,0,0,0|2,0,0]=4 75 B11R2.10 CC1=CC2=CC=CC=C2C1 CS-W021717 [1,0,0,1,0,0|1,0,1]=4 76 B11R2.10 CC1CC2=CC=CC=C2O1 CS-W013370 [1,0,0,1,0,0|1,0,0]=3 77 B11R2.20 C1=CC2=C(CCCC2)N=C1 CS-0173570 [1,0,0,1,0,0|2,0,0]=4 78 B11R2.55 BrC1=C(C2CC2)N=CC=C1 CS-0462459 [1,0,0,1,0,0|1,1,0]=4 79 B11R2.55 IC1=CC=CC=C1C2CC2 CS-0608043 [1,0,0,1,0,0|0,1,0]=3 80 B11R2.106 CC1=C2CCNC2=NC=C1 CS-0907064 [1,0,0,1,0,0|2,0,0]=4 81 B11R2.106 NC1=CC=CC2=C1CNC2 CS-0155702 [1,0,0,1,0,0|1,0,0]=3 82 B11R2.106 OC1=C2CCNC2=NC=C1 CS-0093336 [1,0,0,1,0,0|2,0,0]=4 83 B13R2.32 CC1=C2CCNCC2=CC=C1O CS-0891927 [0,1,0,1,0,0|1,0,0]=3 84 B13R2.162 NC1=CC=CC2=C1CC(O)CC2 CS-B0024 [0,1,0,1,0,0|2,0,0]=4 85 B13R2.162 O=C1CCC2=CC=CC(F)=C2C1 CS-M0068 [0,1,0,1,0,0|1,0,1]=4 86 B13R2.4820 ClC1=C2OCCNCC2=CC=C1 CS-0299755 [0,1,0,1,0,0|0,1,0]=3 87 B13R2.328 FC1=CC2=C(CNCC2)C(F)=C1 CS-0215556 [0,1,0,1,0,0|2,0,0]=4 88 B13R2.57 CCN1CCC2=C(C=CC=C2)C1 CS-1178819 [0,1,0,1,0,0|1,0,0]=3 89 B13R2.3587 BrC1=CC=CC=C1CNC2CC2 CS-0246266 [0,1,0,1,0,0|1,1,0]=4 90 B13R2.3587 FC1=CC=CC=C1OC[C@@H]2CO2 CS-0199645 [0,1,0,1,0,0|1,0,0]=3 91 B13R2.18 CC1=C([C@@H]2CCCN2)C=CC=C1 CS-0884873 [0,1,0,1,0,0|2,0,0]=4 92 B13R2.342 CC1NCCC2=C1C=CC=C2Br CS-0225557 [0,1,0,1,0,0|0,1,0]=3 93 B13R2.342 NC1CCCC2=C1C=CC=C2Cl CS-0322843 [0,1,0,1,0,0|1,1,0]=4 94 B13R2.342 NC1CCCC2=C1C=CC=C2F CS-0112779 [0,1,0,1,0,0|1,0,0]=3 95 B13R2.342 NC1CCSC2=C(F)C=CC=C21 CS-0285566 [0,1,0,1,0,0|2,0,0]=4 96 B13R2.342 N[C@@H]1CCCC2=C1C=CC=C2Br CS-0101691 [0,1,0,1,0,0|1,1,0]=4 97 B13R2.342 N[C@H]1CCCC2=C1C=CC=C2Cl CS-0657328 [0,1,0,1,0,0|1,1,0]=4 98 B13R2.342 N[C@H]1CCOC2=C(F)C=CC=C21 CS-0102170 [0,1,0,1,0,0|2,0,0]=4 99 B13R2.342 N[C@H]1CCOC2=C(F)C=CC=C21 CS-0309219 [0,1,0,1,0,0|2,0,0]=4 100 B13R2.342 O=C1NCCC2=C1C=CC=C2I CS-0547598 [0,1,0,1,0,0|0,1,1]=4 101 B13R2.342 OC1=NCCC2=C1C=CC=C2F CS-0043834 [0,1,0,1,0,0|0,0,2]=4 102 B13R2.3097 NC(C1=C(F)C=CC=C1)C2CC2 CS-0625965 [0,1,0,1,0,0|1,0,0]=3 103 B13R2.3097 O=C(C1=CC=CC=C1F)C2CC2 CS-0463589 [0,1,0,1,0,0|1,0,1]=4 104 B13R2.371 FC1=CC=C(Br)C2=C1CCNC2 CS-0376677 [0,1,0,1,0,0|0,0,0]=2 105 B13R2.371 NC1=CC=C(Br)C2=C1CCCC2 CS-0377373 [0,1,0,1,0,0|1,1,0]=4 106 B13R2.3683 CC1=CC2=C(C=C1)NC(C)CC2 CS-0610511 [0,1,0,1,0,0|2,0,0]=4 107 B13R2.5151 O=C1CCC2=C1C(S)=CC=C2F CS-0099882 [0,1,0,1,0,0|2,0,0]=4