0 B12R1.891 CC(C)(C)NSC1=CC=CC=C1 A12195 [0,0,0,0,0,0|3,0,0]=3 1 B12R1.891 F[B-](F)(F)CCC1=CC=CC=C1 29661 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.91 CC(C)CCC1=NC=CN=C1 A12502 [1,0,0,0,0,0|2,0,0]=3 3 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 Y11691 [1,0,0,0,0,0|1,0,0]=2 4 B11R1.91 O=C([O-])CCC1=CC=CC=C1 A11567 [1,0,0,0,0,0|1,0,2]=4 5 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 35117 [1,0,0,0,0,0|2,0,1]=4 6 B13R1.157 CC(C)(C)\N=C\C1=C(F)C=CC=C1 A10111 [0,1,0,0,0,0|2,0,1]=4 7 B13R2.222 CC1(C)C=CC2=C(C=CC=C2)O1 D78717 [0,0,0,1,0,0|0,0,2]=3 8 B11R1.509 CC(C)(C)OC1=CN=CC=C1 N10411 [0,0,0,0,1,0|3,0,0]=4 9 B11R1.509 CC(C)(C)OC1=NC=CC=C1 CS1089 [0,0,0,0,1,0|3,0,0]=4 10 B11R1.509 C[S@](=N)(=O)CC1=CC=CC=C1 W18265 [0,0,0,0,1,0|2,0,1]=4 11 B13R1.3523 CS(=O)(=O)NCCC1=CC=CC=C1 W10643 [0,0,0,0,0,1|2,0,1]=4 12 B13R1.3523 C[Si](C)(C)C#CCC1=CC=CC=C1 D93651 [0,0,0,0,0,1|1,1,1]=4 13 B10R1.17 CCCCC1=CC=NC=C1 BL000376 [2,0,0,0,0,0|1,0,0]=3 14 B10R1.17 CCCOC1=CC=CC=C1 C75927 [2,0,0,0,0,0|1,0,0]=3 15 B10R1.17 CCNCC1=CC=CC=C1 D77748 [2,0,0,0,0,0|1,0,0]=3 16 B10R1.17 CNCCC1=CC=CN=C1 AR1271 [2,0,0,0,0,0|2,0,0]=4 17 B10R1.17 CNNCC1=CC=CC=C1 30192 [2,0,0,0,0,0|2,0,0]=4 18 B10R1.17 ICCCC1=CC=CC=C1 AC6098 [2,0,0,0,0,0|1,0,0]=3 19 B10R1.17 NCCCC1=CC=CN=C1 31799 [2,0,0,0,0,0|2,0,0]=4 20 B10R1.17 NCCCC1=CC=NC=C1 S12068 [2,0,0,0,0,0|2,0,0]=4 21 B10R1.17 OCCOC1=CN=CC=C1 D86242 [2,0,0,0,0,0|2,0,0]=4 22 B10R1.17 SCCCC1=CC=NC=C1 F18251 [2,0,0,0,0,0|1,1,0]=4 23 B10R1.17 [C-]#[N+]CCC1=CC=CC=C1 50056 [2,0,0,0,0,0|1,0,1]=4 24 B12R1.21 CC(=O)CCC1=CC=C(F)C=C1 D71139 [1,1,0,0,0,0|0,0,2]=4 25 B12R1.21 CC(C)OCC1=CC=C(Br)C=C1 N10192 [1,1,0,0,0,0|1,0,0]=3 26 B12R1.21 CC1=CC=C(OC[C@H](C)N)C=C1 F50498 [1,1,0,0,0,0|2,0,0]=4 27 B12R1.21 O=C(O)CCC1=CC=C(S)C=C1 T72748 [1,1,0,0,0,0|1,0,1]=4 28 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 Y10083 [1,1,0,0,0,0|1,0,0]=3 29 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 A11325 [1,1,0,0,0,0|0,0,2]=4 30 B12R1.27 O[C@H](CCl)COC1=CC=CC=C1 N13287 [1,1,0,0,0,0|1,0,0]=3 31 B12R1.43 CC(=O)[C@@H](C)CC1=CC=CC=C1 Y10616 [1,1,0,0,0,0|0,0,2]=4 32 B12R1.43 C[C@H](N)C(=O)CC1=CC=CC=C1 D80885 [1,1,0,0,0,0|1,0,1]=4 33 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O C73515 [1,1,0,0,0,0|1,0,1]=4 34 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 F16780 [1,1,0,0,0,0|1,0,1]=4 35 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 20111 [1,1,0,0,0,0|0,0,0]=2 36 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 20113 [1,1,0,0,0,0|0,0,0]=2 37 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 Y11320 [1,1,0,0,0,0|0,0,0]=2 38 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 Y11540 [1,1,0,0,0,0|0,0,0]=2 39 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 Y11782 [1,1,0,0,0,0|0,0,0]=2 40 B12R1.107 CN(C)C[C@H](N)C1=CC=CC=C1 C11392 [1,1,0,0,0,0|1,0,0]=3 41 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 AC1152 [1,1,0,0,0,0|1,0,1]=4 42 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 AC6792 [1,1,0,0,0,0|1,0,1]=4 43 B12R1.125 CC1=C(CNC(C)C)C=CC=C1 C78577 [1,1,0,0,0,0|1,0,0]=3 44 B12R1.226 CC(C)CNC1=CC=CC(Br)=C1 W16002 [1,1,0,0,0,0|1,0,0]=3 45 B12R1.226 CC(C)COC1=CC(O)=CC=C1 W16042 [1,1,0,0,0,0|1,0,0]=3 46 B12R1.106 CC(C)(N)CC1=CC=C(Br)C=C1 85007 [0,1,0,0,1,0|1,0,0]=3 47 B12R1.106 CC1=CC=C(OC(C)(C)C)C=C1 CK2379 [0,1,0,0,1,0|2,0,0]=4 48 B12R1.119 CC(C)(O)CC1=CC=CC(Br)=N1 C77297 [0,1,0,0,1,0|1,0,0]=3 49 B12R1.151 CC(C)(C)NC1=C(N)C=CC=C1 H11618 [0,1,0,0,1,0|2,0,0]=4 50 B12R1.151 CC(C)(C)OC1=C(Br)C=CC=C1 F50546 [0,1,0,0,1,0|2,0,0]=4 51 B12R1.151 CC(C)(C)OC1=C(O)C=CC=C1 A12306 [0,1,0,0,1,0|2,0,0]=4 52 B12R1.151 CC(C)(C)SC1=C(N)C=CC=C1 H10039 [0,1,0,0,1,0|2,0,0]=4 53 B12R1.151 CC(C)(O)CC1=C(Br)C=CC=C1 D76801 [0,1,0,0,1,0|0,0,0]=2 54 B12R1.151 CC(C)(O)CC1=C(Cl)C=CC=C1 P11161 [0,1,0,0,1,0|0,0,0]=2 55 B12R1.151 CC1=C(CC(C)(C)N)C=CC=C1 53104 [0,1,0,0,1,0|1,0,0]=3 56 B12R1.564 CC(C)(C)[C@H](N)C1=CC=CC=C1 F31035 [0,1,0,0,1,0|1,0,0]=3 57 B12R1.564 CC(C)(C)[C@H](N)C1=CC=CC=C1 F31052 [0,1,0,0,1,0|1,0,0]=3 58 B12R1.564 CC(C)(O)[C@H](N)C1=CC=CC=C1 11249 [0,1,0,0,1,0|0,0,0]=2 59 B14R1.131 C[N+](C)(C)CCOC1=CC=C(N)C=C1 C71290 [0,1,0,0,0,1|2,0,0]=4 60 B14R1.3098 C[N+](C)(C)CCC(=O)C1=CC=CC=C1 C74257 [0,1,0,0,0,1|2,0,0]=4 61 B14R1.3099 CC(C)(N)C(=O)OCC1=CC=CC=C1 F52319 [0,1,0,0,0,1|1,0,1]=4 62 B14R1.3099 CC(C)(O)C(=O)OCC1=CC=CC=C1 31573 [0,1,0,0,0,1|0,0,1]=3 63 B12R2.22 NC1CN(C2=CC=CC=C2)C1 P16497 [1,0,0,1,0,0|2,0,0]=4 64 B12R2.22 N[C@H]1C[C@H](C2=CC=CC=C2)C1 38954 [1,0,0,1,0,0|1,0,0]=3 65 B12R2.22 OC1CN(C2=CC=CC=C2)C1 P13302 [1,0,0,1,0,0|1,0,0]=3 66 B12R2.22 O[C@H]1C[C@@H](C2=CC=CC=C2)C1 91858 [1,0,0,1,0,0|0,0,0]=2 67 B12R2.22 O[C@H]1C[C@H](C2=CC=CC=C2)C1 91835 [1,0,0,1,0,0|0,0,0]=2 68 B12R2.24 CN1CCC2=C(C=CC=C2)C1 66638 [1,0,0,1,0,0|1,0,0]=3 69 B12R2.24 CN1CCC2=C(C=CC=C2)C1 O10829 [1,0,0,1,0,0|1,0,0]=3 70 B12R2.24 C[C@H]1CNC2=C(C=CC=C2)O1 71634 [1,0,0,1,0,0|1,0,0]=3 71 B12R2.24 C[C@H]1COC2=C(C=CC=C2)N1 71352 [1,0,0,1,0,0|2,0,0]=4 72 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 20328 [1,0,0,1,0,0|2,0,0]=4 73 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 D86156 [1,0,0,1,0,0|2,0,0]=4 74 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 Y11370 [1,0,0,1,0,0|2,0,0]=4 75 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 69307 [1,0,0,1,0,0|1,0,0]=3 76 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 69309 [1,0,0,1,0,0|1,0,0]=3 77 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 P11165 [1,0,0,1,0,0|1,0,0]=3 78 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 P12593 [1,0,0,1,0,0|1,0,0]=3 79 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 P17350 [1,0,0,1,0,0|1,0,0]=3 80 B12R2.2057 C1=CC=C(CNC2CC2)C=C1 70487 [1,0,0,1,0,0|1,0,0]=3 81 B12R2.2403 CC1(C)CNC2=C1C=NC=C2 85489 [1,0,0,1,0,0|2,0,0]=4 82 B12R2.2403 C[C@]1(O)CCC2=C1C=CC=C2 72298 [1,0,0,1,0,0|0,0,0]=2 83 B12R2.94 OC1(CC2=CC=CC=C2)CC1 W18583 [0,0,0,1,1,0|0,0,0]=2 84 B12R2.95 CC1(N)CC2=C(C=CC=C2)C1 O11950 [0,0,0,1,1,0|1,0,0]=3 85 B14R2.6175 CC1(C)CCC2=C(C=CC=C2)C1=O H11153 [0,1,0,1,0,0|0,0,1]=3 86 B14R2.29496 CC1(C)C[C@H](N)C2=C(C=CC=C2)O1 F53096 [0,1,0,1,0,0|0,0,0]=2 87 B14R2.29496 C[C@H]1CC(C)(C)NC2=C1C=CC=C2 C75062 [0,1,0,1,0,0|1,0,0]=3 88 B14R2.29496 C[C@H]1CC(C)(C)NC2=C1C=CC=C2 W16294 [0,1,0,1,0,0|1,0,0]=3 89 B14R2.4491 CC1(C)CNC2=C(C=C(Br)C=C2)O1 77198 [0,1,0,1,0,0|1,0,0]=3 90 B14R2.4493 CC1(C)C=CC2=C(C=CC(N)=C2)O1 F50695 [0,1,0,1,0,0|0,0,2]=4 91 B14R2.4493 CC1(C)CC2=C(C=C(Br)C=C2)CN1 D79097 [0,1,0,1,0,0|2,0,0]=4 92 B14R2.4493 CC1(C)CNC2=C(C=CC(Br)=C2)O1 51774 [0,1,0,1,0,0|1,0,0]=3 93 B14R2.4493 CC1(C)OCC2=C(C=CC(Br)=C2)O1 F51269 [0,1,0,1,0,0|1,0,0]=3 94 B10R1.18 C[C@H](N)CC1=NC=CC=C1 C80024 [1,0,0,0,1,0|2,0,0]=4 95 B10R1.28 CC(C)(N)C1=CC=CN=C1 27050 [0,0,0,0,2,0|2,0,0]=4 96 B10R1.28 CC(C)(N)C1=CC=NC=C1 F17065 [0,0,0,0,2,0|2,0,0]=4 97 B10R1.28 CC(C)(N)C1=NC=CC=C1 F20062 [0,0,0,0,2,0|2,0,0]=4 98 B10R1.28 CC(C)(O)C1=CN=CC=C1 50806 [0,0,0,0,2,0|1,0,0]=3 99 B10R1.28 CC(C)(O)C1=NC=CC=C1 W17538 [0,0,0,0,2,0|1,0,0]=3 100 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 D77743 [0,0,0,0,2,0|2,0,0]=4 101 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 D77813 [0,0,0,0,2,0|2,0,0]=4