0 B12R1.225 CC(C)C(=O)C1=CC(=CC=C1)Cl PH010271 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.225 CC(C1=CC=CC(=C1)O)N(C)C CDS006914 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.225 CC1=CC(=CC=C1)C(=O)C(C)C PH010272 [0,0,0,0,0,0|2,0,2]=4 3 B12R1.225 O=C(O)C(O)C1=CC=CC(=C1)Br PH011789 [0,0,0,0,0,0|3,0,1]=4 4 B12R1.225 OC(C1=CC=CC(=C1)Cl)C(Cl)Cl S407143 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.23 CCC(=O)C1=CC=CC(=C1)C PH014761 [1,0,0,0,0,0|1,0,2]=4 6 B11R1.23 CCC(=O)C1=CC=CC(=C1)N PH011160 [1,0,0,0,0,0|1,0,2]=4 7 B11R1.23 CCC(=O)C1=CC=CC(=C1)O PH010905 [1,0,0,0,0,0|0,0,2]=3 8 B11R1.23 CCC(O)C1=NC(=CC=C1)N PH018486 [1,0,0,0,0,0|2,0,0]=3 9 B11R1.23 CC[C@@H](O)C1=CC(=CC=C1)F PH018824 [1,0,0,0,0,0|1,0,0]=2 10 B11R1.23 CC[C@H](O)C1=CC(=CC=C1)F PH018897 [1,0,0,0,0,0|1,0,0]=2 11 B11R1.23 CNC(=O)C1=CC(=CC=C1)O EME00408 [1,0,0,0,0,0|1,0,2]=4 12 B11R1.23 NC(CF)C1=CC(=CC=C1)Br CVT00033 [1,0,0,0,0,0|3,0,0]=4 13 B11R1.23 OC1=CC=CC(=C1)C(CN)O TMT00167 [1,0,0,0,0,0|0,0,0]=1 14 B11R1.36 C(C)(N)[C@@H](C)C1=CC=CC=C1 S327697 [1,0,0,0,0,0|1,0,0]=2 15 B11R1.36 C(C)(N)[C@H](C)C1=CC=CC=C1 S316911 [1,0,0,0,0,0|1,0,0]=2 16 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 S881112 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.36 CC(C(=O)N)C1=CC=CC=C1 PH007480 [1,0,0,0,0,0|2,0,1]=4 18 B11R1.36 CC(C)C(C)C1=CC=CC=C1 S316091 [1,0,0,0,0,0|2,0,0]=3 19 B11R1.36 CC(C)C(N)C1=CC=CC=N1 CBR00662 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.36 CC(C)C(N)C1=CC=CN=C1 CBR00667 [1,0,0,0,0,0|3,0,0]=4 21 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 CDS015841 [1,0,0,0,0,0|2,0,0]=3 22 B11R1.36 CC(C1=CC=CC=C1)N(C)C CDS001551 [1,0,0,0,0,0|3,0,0]=4 23 B11R1.36 CC(O)C(C)C1=CC=CC=C1 R157589 [1,0,0,0,0,0|2,0,0]=3 24 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S313424 [1,0,0,0,0,0|2,0,0]=3 25 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S313432 [1,0,0,0,0,0|2,0,0]=3 26 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S485527 [1,0,0,0,0,0|2,0,0]=3 27 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S494054 [1,0,0,0,0,0|2,0,0]=3 28 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S494062 [1,0,0,0,0,0|2,0,0]=3 29 B11R1.36 CN(N)C(=N)C1=CC=CC=C1 S32361 [1,0,0,0,0,0|2,0,1]=4 30 B11R1.36 N=C(N)C(O)C1=CC=CC=C1 CBR01201 [1,0,0,0,0,0|1,0,1]=3 31 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 CDS003589 [1,0,0,0,0,0|2,0,1]=4 32 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 S684473 [1,0,0,0,0,0|2,0,1]=4 33 B11R1.36 O=P(O)C(O)C1=CC=CC=C1 S576263 [1,0,0,0,0,0|3,0,0]=4 34 B11R1.36 P(=O)([O-])C(O)C1=CC=CC=C1 S359920 [1,0,0,0,0,0|3,0,0]=4 35 B11R1.36 [C@@H](C)(O)[C@@H](C)C1=CC=CC=C1 L157201 [1,0,0,0,0,0|2,0,0]=3 36 B11R1.157 CC(=O)CC1=CC(=CC=C1)C CDS017452 [1,0,0,0,0,0|2,0,1]=4 37 B11R1.157 CC(N)CC1=CC=CC(=C1)Br CDS022739 [1,0,0,0,0,0|1,0,0]=2 38 B11R1.157 CC1=CC(=CC=C1)NC(C)C S657476 [1,0,0,0,0,0|3,0,0]=4 39 B11R1.157 CC1=CC(=NC=C1)CC(C)O PH015436 [1,0,0,0,0,0|3,0,0]=4 40 B11R1.157 CC1=CC=CC(=N1)CC(C)O PH015426 [1,0,0,0,0,0|3,0,0]=4 41 B11R1.157 CN(N)CC1=CC=CC(=C1)Cl PH007608 [1,0,0,0,0,0|2,0,0]=3 42 B11R1.157 OC1=CC=CC(=C1)OC(F)F CDS005791 [1,0,0,0,0,0|3,0,0]=4 43 B13R1.642 COC1=CC(=CC=C1)C(C)N(C)C PH014179 [0,1,0,0,0,0|3,0,0]=4 44 B13R2.3028 O=C1NC2=C(C1O)C=C(C=C2)Br PH011113 [0,0,0,1,0,0|2,0,1]=4 45 B13R2.4825 N1C2=C(C=CC=C2C)C(C1C)C S356670 [0,0,0,1,0,0|2,0,0]=3 46 B10R1.10 CC1=CC(=CC=C1)CNN CBR00827 [2,0,0,0,0,0|2,0,0]=4 47 B10R1.10 CC1=CC=CC(=N1)CCN CBR01608 [2,0,0,0,0,0|2,0,0]=4 48 B10R1.10 CCCC1=CC(=CC=C1)O CDS001518 [2,0,0,0,0,0|0,0,0]=2 49 B10R1.10 CCNC1=CC=CC(=C1)O PH010496 [2,0,0,0,0,0|1,0,0]=3 50 B10R1.10 CCSC1=CC=CC(=C1)Br SYX00287 [2,0,0,0,0,0|2,0,0]=4 51 B10R1.10 CSCC1=CC(=CC=C1)Br EME00017 [2,0,0,0,0,0|2,0,0]=4 52 B10R1.10 FC1=CC=CC(=C1)CCBr CDS000178 [2,0,0,0,0,0|2,0,0]=4 53 B10R1.10 NNCC1=CC(=CC=C1)F PHB00030 [2,0,0,0,0,0|2,0,0]=4 54 B10R1.10 NNCC1=CC=CC(=C1)Cl CBR00830 [2,0,0,0,0,0|2,0,0]=4 55 B10R1.15 CC(CBr)C1=CC=CC=C1 S461210 [2,0,0,0,0,0|2,0,0]=4 56 B10R1.15 CC(NN)C1=CC=CC=C1 PH009827 [2,0,0,0,0,0|2,0,0]=4 57 B10R1.15 CCB(N)C1=CC=CC=C1 S320773 [2,0,0,0,0,0|2,0,0]=4 58 B10R1.15 CCC(N)C1=CC=CC=N1 CBR00661 [2,0,0,0,0,0|2,0,0]=4 59 B10R1.15 CCC(N)C1=CC=CN=C1 CBR00143 [2,0,0,0,0,0|2,0,0]=4 60 B10R1.15 CCC(N)C1=CC=NC=C1 CBR01655 [2,0,0,0,0,0|2,0,0]=4 61 B10R1.15 CCN(C)C1=CC=CC=C1 R750956 [2,0,0,0,0,0|2,0,0]=4 62 B10R1.15 CCN(N)C1=CC=CC=C1 PH010945 [2,0,0,0,0,0|2,0,0]=4 63 B10R1.15 CNC(C)C1=CC=CC=C1 CDS010605 [2,0,0,0,0,0|2,0,0]=4 64 B10R1.15 CNC(C)C1=CC=CC=C1 T172782 [2,0,0,0,0,0|2,0,0]=4 65 B10R1.15 ClCC(Cl)C1=CC=CC=C1 PH010970 [2,0,0,0,0,0|2,0,0]=4 66 B10R1.15 NC(CO)C1=CC=CC=C1 CDS003505 [2,0,0,0,0,0|2,0,0]=4 67 B10R1.15 NCC(Cl)C1=CC=CC=C1 PH012604 [2,0,0,0,0,0|1,0,0]=3 68 B10R1.15 OC(CBr)C1=CC=CC=N1 PH013752 [2,0,0,0,0,0|2,0,0]=4 69 B10R1.113 CC(C)C1=CC(=CC=C1)N CDS000639 [2,0,0,0,0,0|2,0,0]=4 70 B10R1.113 CC(C)C1=CC=CC(=C1)Br CDS003768 [2,0,0,0,0,0|2,0,0]=4 71 B10R1.113 CC(N)C1=CC=CC(=C1)O CDS012752 [2,0,0,0,0,0|1,0,0]=3 72 B10R1.113 CC(O)C1=CC=CC(=N1)N PH018818 [2,0,0,0,0,0|2,0,0]=4 73 B10R1.113 CC(O)C1=C[N+](=CC=C1)[O-] S668419 [2,0,0,0,0,0|1,0,1]=4 74 B10R1.113 CC1=CC(=CC=C1)C(C)N CDS020205 [2,0,0,0,0,0|2,0,0]=4 75 B10R1.113 CC1=CC(=CC=C1)[C@H](C)N CDS015842 [2,0,0,0,0,0|2,0,0]=4 76 B10R1.113 N=C(N)C1=CC=CC(=C1)O PH015280 [2,0,0,0,0,0|1,0,1]=4 77 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [2,0,0,0,0,0|1,0,1]=4 78 B10R1.18 CC(N)CC1=CN=CC=C1 CBR01601 [2,0,0,0,0,0|1,0,0]=3 79 B10R1.18 CN(C)CC1=CC=CC=C1 S503916 [2,0,0,0,0,0|2,0,0]=4 80 B10R1.18 CN(C)CC1=CC=CC=C1 S942987 [2,0,0,0,0,0|2,0,0]=4 81 B10R1.18 CN(N)CC1=CC=CC=C1 PH000424 [2,0,0,0,0,0|1,0,0]=3 82 B12R1.10 CC(C)(CN)C1=CC=CC(=C1)Cl OTV000601 [1,1,0,0,0,0|2,0,0]=4 83 B12R1.13 COC(OC)C1=CC=CC(=C1)N PH002938 [1,1,0,0,0,0|2,0,0]=4 84 B12R1.17 C=CCC(O)C1=CC=CC(=C1)Br PH018221 [1,1,0,0,0,0|1,0,1]=4 85 B12R1.17 CCCC(O)C1=C[N+](=CC=C1)[O-] S668400 [1,1,0,0,0,0|1,0,1]=4 86 B12R1.17 CCNC(=O)C1=CC(=CC=C1)O EME00412 [1,1,0,0,0,0|0,0,2]=4 87 B12R1.17 CNC[C@H](O)C1=CC(=CC=C1)O CDS000481 [1,1,0,0,0,0|0,0,0]=2 88 B12R1.354 CCC(=O)C1=C(C=CC(=C1)O)O S372315 [1,1,0,0,0,0|0,0,2]=4 89 B12R1.367 CCC(=O)C1=CC=C(C(=C1)O)O PH011570 [1,1,0,0,0,0|0,0,2]=4 90 B12R1.367 CCC(C)C1=CC=C(C(=C1)Br)O PH010070 [1,1,0,0,0,0|2,0,0]=4 91 B12R1.367 CCC(C)C1=CC=C(C(=C1)N)O S626791 [1,1,0,0,0,0|2,0,0]=4 92 B12R1.367 CCC(C)C1=CC=C(C(=C1)O)O PH007367 [1,1,0,0,0,0|1,0,0]=3 93 B12R1.435 CNC(C)C1=CC(=CC=C1)OC CBR01308 [1,1,0,0,0,0|2,0,0]=4 94 B12R1.435 COC1=CC=CC(=C1)C(Br)CBr PH006231 [1,1,0,0,0,0|2,0,0]=4 95 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S310085 [1,1,0,0,0,0|2,0,0]=4 96 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S490628 [1,1,0,0,0,0|2,0,0]=4 97 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S494461 [1,1,0,0,0,0|2,0,0]=4 98 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S497460 [1,1,0,0,0,0|2,0,0]=4 99 B12R1.34 CNC(C)C(O)C1=CC=CC=C1 PH018434 [1,1,0,0,0,0|0,0,0]=2 100 B12R1.34 NC(CO)C(Cl)C1=CC=CC=C1 PH013300 [1,1,0,0,0,0|1,0,0]=3 101 B12R1.34 NC(CO)C(O)C1=CC=CC=C1 PH011988 [1,1,0,0,0,0|0,0,0]=2 102 B12R1.34 NC(CO)C(O)C1=CC=CC=C1 PH012669 [1,1,0,0,0,0|0,0,0]=2 103 B12R1.34 NC(CO)C(O)C1=CC=CC=C1 PH018696 [1,1,0,0,0,0|0,0,0]=2 104 B12R1.34 NNC(=O)C(O)C1=CC=CC=C1 PH006903 [1,1,0,0,0,0|1,0,1]=4 105 B12R1.253 CC(=O)C(C)(O)C1=CC=CC=C1 S306045 [1,1,0,0,0,0|1,0,1]=4 106 B12R1.253 CC(=O)C(C)(O)C1=CC=CC=C1 S495409 [1,1,0,0,0,0|1,0,1]=4 107 B12R1.253 CC(O)(C(=O)N)C1=CC=CC=C1 S888540 [1,1,0,0,0,0|1,0,1]=4 108 B12R1.478 C(C)(O)C(CC)C1=CC=CC=C1 R157570 [1,1,0,0,0,0|2,0,0]=4 109 B12R1.478 C(C)(O)C(CC)C1=CC=CC=C1 S490466 [1,1,0,0,0,0|2,0,0]=4 110 B12R1.478 C(C)(O)C(CC)C1=CC=CC=C1 S495131 [1,1,0,0,0,0|2,0,0]=4 111 B12R1.478 C(CC)(C1=CC=CC=C1)[C@@H](C)O S316032 [1,1,0,0,0,0|2,0,0]=4 112 B12R1.478 CC(C)/C(=N\O)/C1=CC=CC=C1 PH010705 [1,1,0,0,0,0|1,0,1]=4 113 B12R1.478 CC(C)C(C#N)C1=CC=CC=C1 S380946 [1,1,0,0,0,0|2,0,0]=4 114 B12R1.478 COC(C(=O)N)C1=CC=CC=C1 S937428 [1,1,0,0,0,0|1,0,1]=4 115 B12R1.564 CC(C)(N)C(O)C1=CC=CC=C1 PH004997 [1,1,0,0,0,0|0,0,0]=2 116 B12R1.127 CN(C)CC1=CC(=CC=C1Br)O CDS022289 [1,1,0,0,0,0|2,0,0]=4 117 B12R1.224 CN(N)CC1=CC=CC(=C1Cl)Cl PH001312 [1,1,0,0,0,0|2,0,0]=4 118 B12R1.438 COC1=CC(=CC=C1)CC(=O)N PH011680 [1,1,0,0,0,0|1,0,1]=4 119 B12R1.438 COC1=CC(=CC=C1)CN(C)N PH013329 [1,1,0,0,0,0|1,0,0]=3 120 B12R1.438 CSC1=CC(=CC=C1)CN(C)N PH007580 [1,1,0,0,0,0|1,1,0]=4 121 B12R2.132 NC1CCC2=CC=C(C=C12)Cl CDS009346 [1,0,0,1,0,0|2,0,0]=4 122 B12R2.1282 CC1=CC=CC(=C1)C2(CC2)N CDS009085 [1,0,0,1,0,0|2,0,0]=4 123 B12R2.1282 NC1(CC1)C2=CC=CC(=C2)Cl CBR00915 [1,0,0,1,0,0|2,0,0]=4 124 B12R2.2313 ClC1=CC=CC(=C1)C2CNC2 CDS020411 [1,0,0,1,0,0|2,0,0]=4 125 B12R2.18 NC1C2=C(C=CC=C2)CC1Cl S988677 [1,0,0,1,0,0|2,0,0]=4 126 B12R2.18 O=C1NC2=C(C1O)C=CC=C2 PH010628 [1,0,0,1,0,0|1,0,1]=4 127 B12R2.2075 NC(C1=CC=CC=C1)C2CC2 CDS015636 [1,0,0,1,0,0|2,0,0]=4 128 B12R2.606 CC1=NC2=CC(=CC=C2N1)O CBR02477 [1,0,0,1,0,0|1,0,1]=4 129 B12R2.606 CC1CC2=CC(=CC=C2O1)N CBR00712 [1,0,0,1,0,0|2,0,0]=4 130 B12R2.606 O=C1CC2=CC(=CC=C2N1)O CDS004194 [1,0,0,1,0,0|1,0,1]=4 131 B14R2.954 CC1=CC=C(C=C1C)C(O)C2CC2 PH018506 [0,1,0,1,0,0|2,0,0]=4 132 B14R2.30096 CC1=CC=C(C(=C1)C(O)C2CC2)C S345156 [0,1,0,1,0,0|2,0,0]=4 133 B12R1.107 CC(CN(C)N)C1=CC=CC=C1 PH001335 [1,0,0,0,0,1|2,0,0]=4 134 B14R1.149 CC(C)NCC(O)C1=CC=CC(=C1)Cl CDS001369 [0,0,0,0,0,2|2,0,0]=4