0 B12R1.10 CC(C)(CN)C1=CC=CC(=C1)Cl OTV000601 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.7 CC(C)(CCl)[N+]1=CC=CC=C1 R788120 [1,0,0,0,0,0|3,0,0]=4 2 B11R1.7 CCC(C)(N)C1=CC=CC=C1 S333697 [1,0,0,0,0,0|2,0,0]=3 3 B11R1.7 CCC(C)(N)C1=CC=CC=C1 S486078 [1,0,0,0,0,0|2,0,0]=3 4 B11R1.7 CCC(C)(N)C1=CC=CC=C1 S494992 [1,0,0,0,0,0|2,0,0]=3 5 B11R1.7 CCC(C)(N)C1=CC=CC=C1 S497304 [1,0,0,0,0,0|2,0,0]=3 6 B11R1.7 COC(C)(C)C1=CC=CC=C1 S713104 [1,0,0,0,0,0|2,0,0]=3 7 B11R1.7 C[Si](C)(CO)C1=CC=CC=C1 S832316 [1,0,0,0,0,0|2,0,0]=3 8 B11R1.23 CCC(=O)C1=CC=CC(=C1)C PH014761 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.23 CCC(=O)C1=CC=CC(=C1)N PH011160 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.23 CCC(=O)C1=CC=CC(=C1)O PH010905 [1,0,0,0,0,0|2,0,0]=3 11 B11R1.23 CC[C@@H](O)C1=CC(=CC=C1)F PH018824 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.23 CC[C@H](O)C1=CC(=CC=C1)F PH018897 [1,0,0,0,0,0|3,0,0]=4 13 B11R1.23 CNC(=O)C1=CC(=CC=C1)O EME00408 [1,0,0,0,0,0|3,0,0]=4 14 B11R1.23 CNN(C)C1=CC=CC(=C1)Br PH012310 [1,0,0,0,0,0|2,0,1]=4 15 B11R1.23 OC1=CC=CC(=C1)C(CN)O TMT00167 [1,0,0,0,0,0|3,0,0]=4 16 B11R1.155 CC(C)(C)C1=CC(=CC=C1)N CDS013665 [1,0,0,0,0,0|2,0,0]=3 17 B11R1.155 CC(C)(O)C1=CC(=CC=C1)Br BML00258 [1,0,0,0,0,0|3,0,0]=4 18 B11R1.155 C[Si](C)(C)C1=NC=CC(=C1)Cl SYX00357 [1,0,0,0,0,0|3,0,0]=4 19 B13R1.272 CC(C)(CN)C1=CC=C(C(=C1)Cl)Cl CDS023678 [0,1,0,0,0,0|3,0,0]=4 20 B13R1.272 CCC(C)(C)C1=CC=C(C(=C1)Cl)O S565989 [0,1,0,0,0,0|2,0,0]=3 21 B13R1.711 COC(C)(OC)C1=CC(=CC=C1)Br L446645 [0,1,0,0,0,0|3,0,0]=4 22 B13R2.100 NCC1(CC1)C2=CC(=CC=C2)Br BBO000497 [0,0,0,1,0,0|3,0,0]=4 23 B13R2.100 NCC1(CC1)C2=CC(=CC=C2)Cl BBO000498 [0,0,0,1,0,0|3,0,0]=4 24 B13R2.3791 CC1=CC=C2CCC(C2=N1)(C)C T187674 [0,0,0,1,0,0|3,0,0]=4 25 B10R1.15 CC(CBr)C1=CC=CC=C1 S461210 [2,0,0,0,0,0|2,0,0]=4 26 B10R1.15 CCB(N)C1=CC=CC=C1 S320773 [2,0,0,0,0,0|2,0,0]=4 27 B10R1.15 CCN(C)C1=CC=CC=C1 R750956 [2,0,0,0,0,0|0,0,1]=3 28 B10R1.15 CCN(N)C1=CC=CC=C1 PH010945 [2,0,0,0,0,0|1,0,1]=4 29 B10R1.15 CNC(C)C1=CC=CC=C1 CDS010605 [2,0,0,0,0,0|2,0,0]=4 30 B10R1.15 CNC(C)C1=CC=CC=C1 T172782 [2,0,0,0,0,0|2,0,0]=4 31 B10R1.28 CC(C)(N)C1=CC=CC=C1 CDS000619 [2,0,0,0,0,0|2,0,0]=4 32 B10R1.28 CP(=S)(C)C1=CC=CC=C1 S543330 [2,0,0,0,0,0|1,1,0]=4 33 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 R750611 [2,0,0,0,0,0|0,0,0]=2 34 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 S370363 [2,0,0,0,0,0|0,0,0]=2 35 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 S96440 [2,0,0,0,0,0|0,0,0]=2 36 B10R1.28 C[Sn](C)(C)C1=CC=NC=C1 PH000422 [2,0,0,0,0,0|2,0,0]=4 37 B10R1.10 CCCC1=CC(=CC=C1)O CDS001518 [2,0,0,0,0,0|1,0,0]=3 38 B10R1.10 CCNC1=CC=CC(=C1)O PH010496 [2,0,0,0,0,0|0,0,1]=3 39 B10R1.10 CCSC1=CC=CC(=C1)Br SYX00287 [2,0,0,0,0,0|2,0,0]=4 40 B10R1.113 CC(C)C1=CC(=CC=C1)N CDS000639 [2,0,0,0,0,0|2,0,0]=4 41 B10R1.113 CC(C)C1=CC=CC(=C1)Br CDS003768 [2,0,0,0,0,0|2,0,0]=4 42 B10R1.113 CC(N)C1=CC=CC(=C1)O CDS012752 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.113 CN(C)C1=CC=CC(=C1)Cl S428612 [2,0,0,0,0,0|1,0,1]=4 44 B10R1.113 CN(C)C1=CC=CC(=C1)N OTV000176 [2,0,0,0,0,0|1,0,1]=4 45 B12R1.9 CC(C)(CN)C1=CC=C(C=C1)Cl OTV000618 [1,1,0,0,0,0|2,0,0]=4 46 B12R1.9 CC1=CC=C(C=C1)C(C)(C)CBr T332704 [1,1,0,0,0,0|2,0,0]=4 47 B12R1.9 CCC(C)(O)C1=CC=C(C=C1)Br S497274 [1,1,0,0,0,0|2,0,0]=4 48 B12R1.9 CC[Te](C)(I)C1=CC=C(C=C1)C S201103 [1,1,0,0,0,0|2,0,0]=4 49 B12R1.39 C=CC[Si](C)(C)C1=CC=CC=C1 T274232 [1,1,0,0,0,0|1,0,1]=4 50 B12R1.39 CC(C)(CC#N)C1=CC=CC=C1 PH001293 [1,1,0,0,0,0|1,0,1]=4 51 B12R1.39 CC(C)(C[Hg]Cl)C1=CC=CC=C1 S882038 [1,1,0,0,0,0|2,0,0]=4 52 B12R1.39 CCCC(C)(O)C1=CC=CC=C1 S109665 [1,1,0,0,0,0|2,0,0]=4 53 B12R1.39 CNCC(C)(O)C1=CC=CC=C1 PH015679 [1,1,0,0,0,0|2,0,0]=4 54 B12R1.195 CC(C)(CN)C1=CC=CC=C1F OTV000631 [1,1,0,0,0,0|2,0,0]=4 55 B12R1.475 CCC(C)(C#N)C1=CC=CC=C1 S490571 [1,1,0,0,0,0|1,0,1]=4 56 B12R1.475 CCC(C)(CO)C1=CC=CC=C1 S494623 [1,1,0,0,0,0|1,0,0]=3 57 B12R1.475 CCC(C)(CO)C1=CC=CC=C1 S495034 [1,1,0,0,0,0|1,0,0]=3 58 B12R1.475 CCC(C)(NN)C1=CC=CC=C1 S859311 [1,1,0,0,0,0|2,0,0]=4 59 B12R1.475 CCC(C)(OC)C1=CC=CC=C1 S495042 [1,1,0,0,0,0|1,0,0]=3 60 B12R1.17 CCNC(=O)C1=CC(=CC=C1)O EME00412 [1,1,0,0,0,0|2,0,0]=4 61 B12R1.17 CNC[C@H](O)C1=CC(=CC=C1)O CDS000481 [1,1,0,0,0,0|2,0,0]=4 62 B12R1.225 CC(C1=CC=CC(=C1)O)N(C)C CDS006914 [1,1,0,0,0,0|2,0,0]=4 63 B12R1.354 CCC(=O)C1=C(C=CC(=C1)O)O S372315 [1,1,0,0,0,0|2,0,0]=4 64 B12R1.367 CCC(=O)C1=CC=C(C(=C1)O)O PH011570 [1,1,0,0,0,0|2,0,0]=4 65 B12R1.367 CCC(C)C1=CC=C(C(=C1)Br)O PH010070 [1,1,0,0,0,0|2,0,0]=4 66 B12R1.367 CCC(C)C1=CC=C(C(=C1)N)O S626791 [1,1,0,0,0,0|2,0,0]=4 67 B12R1.367 CCC(C)C1=CC=C(C(=C1)O)O PH007367 [1,1,0,0,0,0|1,0,0]=3 68 B12R1.435 CNC(C)C1=CC(=CC=C1)OC CBR01308 [1,1,0,0,0,0|2,0,0]=4 69 B12R1.23 CC1=CC=C(C=C1Br)C(C)(C)C S866571 [1,1,0,0,0,0|2,0,0]=4 70 B12R1.23 CC1=CC=C(C=C1O)C(C)(C)C PH002954 [1,1,0,0,0,0|1,0,0]=3 71 B12R1.436 COC1=CC(=CC=C1)C(C)(C)O PH010478 [1,1,0,0,0,0|2,0,0]=4 72 B12R1.436 COC1=CC=CC(=C1)C(C)(C)N CDS008388 [1,1,0,0,0,0|2,0,0]=4 73 B14R1.5729 CCC(C)(C)C1=CC(=C(C(=C1)C)O)C S943738 [0,2,0,0,0,0|2,0,0]=4 74 B14R1.5729 CCC(C)(C)C1=CC(=C(C(=C1)Cl)O)Cl S563439 [0,2,0,0,0,0|2,0,0]=4 75 B14R1.3413 CCC(C)(C)C1=CC=C(C(=C1)C=O)O ASX00123 [0,2,0,0,0,0|1,0,1]=4 76 B12R2.48 NCC1(CC1)C2=CC=CC=C2 CDS007962 [1,0,0,1,0,0|2,0,0]=4 77 B12R1.194 CC(C)(CN)CC1=CC=CC=C1 PH007325 [1,0,0,0,0,1|2,0,0]=4 78 B12R1.194 CC(C)(CO)CC1=CC=CC=C1 R425613 [1,0,0,0,0,1|2,0,0]=4 79 B12R1.194 CCC(C)(O)CC1=CC=CC=C1 PH010917 [1,0,0,0,0,1|2,0,0]=4