0 B10R1.15 C#C[C@H](c1ccccc1)O 1DJ [0,0,0,0,0,0|2,0,1]=3 1 B10R1.15 CCC(=O)c1ccccc1 I1E [0,0,0,0,0,0|2,0,1]=3 2 B10R1.15 CC[C@@H](C)c1ccccc1 3GY [0,0,0,0,0,0|1,0,0]=1 3 B10R1.15 C[C@H](C=O)c1ccccc1 1LP [0,0,0,0,0,0|1,0,1]=2 4 B10R1.15 c1ccc(cc1)C(=O)CO HXT [0,0,0,0,0,0|2,0,1]=3 5 B10R1.15 c1ccc(cc1)C(=O)NN WM4 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.15 c1ccc(cc1)C(=O)NO BHO [0,0,0,0,0,0|3,0,1]=4 7 B10R1.15 c1ccc(cc1)N(N=O)O CFI [0,0,0,0,0,0|4,0,0]=4 8 B10R1.15 c1ccc(cc1)[C@@H](C#N)O MNN [0,0,0,0,0,0|1,0,2]=3 9 B10R1.15 c1ccc(cc1)[C@H](C#N)O MXN [0,0,0,0,0,0|1,0,2]=3 10 B10R1.15 c1ccc(cc1)[C@H](CO)O FEH [0,0,0,0,0,0|2,0,0]=2 11 B10R1.15 c1cnccc1C(=O)NN NIZ [0,0,0,0,0,0|3,0,1]=4 12 B9R1.6 B(c1ccccc1)(O)O PBC [1,0,0,0,0,0|3,0,0]=4 13 B9R1.6 CC(=O)c1ccccc1 AC0 [1,0,0,0,0,0|1,0,1]=3 14 B9R1.6 C[C@@H](c1ccccc1)N 98B [1,0,0,0,0,0|0,0,0]=1 15 B9R1.6 C[C@@H](c1ccccc1)O SS1 [1,0,0,0,0,0|1,0,0]=2 16 B9R1.6 C[C@H](c1ccccc1)N QSC [1,0,0,0,0,0|0,0,0]=1 17 B9R1.6 C[C@H](c1ccccc1)O SS2 [1,0,0,0,0,0|1,0,0]=2 18 B9R1.6 N=C(/c1ccccc1)\N BEN [1,0,0,0,0,0|1,0,1]=3 19 B9R1.6 c1cc(cnc1)C(=O)N NCA [1,0,0,0,0,0|2,0,1]=4 20 B9R1.6 c1ccc(cc1)C(=N)N BDN [1,0,0,0,0,0|1,0,1]=3 21 B9R1.6 c1ccc(cc1)C(=O)N UNU [1,0,0,0,0,0|1,0,1]=3 22 B9R1.6 c1ccc(cc1)C(=O)O BEZ [1,0,0,0,0,0|2,0,1]=4 23 B9R1.6 c1ccc(cc1)C(=O)O BOX [1,0,0,0,0,0|2,0,1]=4 24 B9R1.6 c1ccc(cc1)C(=[NH2+])N BAM [1,0,0,0,0,0|1,0,1]=3 25 B9R1.6 c1ccc(cc1)[N+](=O)[O-] NBZ [1,0,0,0,0,0|3,0,0]=4 26 B9R1.6 c1ccnc(c1)C(=O)N WM1 [1,0,0,0,0,0|2,0,1]=4 27 B9R1.6 c1cnccc1C(=N)N NTN [1,0,0,0,0,0|2,0,1]=4 28 B9R1.8 CCCc1ccccc1 3H0 [1,0,0,0,0,0|1,0,0]=2 29 B9R1.8 CCOc1ccccc1 16Q [1,0,0,0,0,0|2,0,0]=3 30 B9R1.8 CCSc1ccccc1 16M [1,0,0,0,0,0|2,0,0]=3 31 B9R1.8 CNCc1ccccc1 271 [1,0,0,0,0,0|2,0,0]=3 32 B9R1.8 CSCc1ccccc1 PTF [1,0,0,0,0,0|2,0,0]=3 33 B9R1.8 c1cc(cnc1)CCN 45X [1,0,0,0,0,0|1,0,0]=2 34 B9R1.8 c1ccc(cc1)CC=O HY1 [1,0,0,0,0,0|1,0,1]=3 35 B9R1.8 c1ccc(cc1)CCCl CEE [1,0,0,0,0,0|1,0,0]=2 36 B9R1.8 c1ccc(cc1)CCO PEL [1,0,0,0,0,0|1,0,0]=2 37 B9R1.8 c1ccc(cc1)CC[NH3+] PEA [1,0,0,0,0,0|0,0,1]=2 38 B9R1.8 c1ccc(cc1)CNN BZZ [1,0,0,0,0,0|1,0,0]=2 39 B9R1.8 c1ccc(cc1)CON OBZ [1,0,0,0,0,0|1,0,0]=2 40 B9R1.8 c1ccc(cc1)N=C=S FTE [1,0,0,0,0,0|2,0,1]=4 41 B9R1.8 c1ccc(cc1)NC=O FAN [1,0,0,0,0,0|2,0,1]=4 42 B9R1.8 c1ccc(cc1)NC=S 0FI [1,0,0,0,0,0|2,0,1]=4 43 B11R1.7 c1ccc(cc1)S(=O)(=O)NN WM3 [0,1,0,0,0,0|3,0,0]=4 44 B11R1.16 c1ccc(cc1)C(=O)CCO P18 [0,1,0,0,0,0|2,0,1]=4 45 B11R1.16 c1ccc(cc1)C(=O)NCO 1Q8 [0,1,0,0,0,0|2,0,1]=4 46 B11R1.16 c1ccc(cc1)[C@@H](CCCl)O 269 [0,1,0,0,0,0|2,0,0]=3 47 B11R1.22 c1cc(ccc1C(=O)CN)Br 47A [0,1,0,0,0,0|1,0,1]=3 48 B11R1.22 c1cc(ccc1C(=O)NN)O HDH [0,1,0,0,0,0|2,0,1]=4 49 B11R1.22 c1cc(ccc1[C@@H](C#N)O)O DHR [0,1,0,0,0,0|1,0,2]=4 50 B11R1.22 c1cc(ccc1[C@@H](CN)O)F 489 [0,1,0,0,0,0|1,0,0]=2 51 B11R1.22 c1cc(ccc1[C@@H](CN)O)O OTS [0,1,0,0,0,0|1,0,0]=2 52 B11R1.22 c1cc(ccc1[C@H](CN)O)O OTR [0,1,0,0,0,0|1,0,0]=2 53 B11R1.23 Cc1cccc(c1)C(=O)NN 45L [0,1,0,0,0,0|2,0,1]=4 54 B11R1.36 C[C@H]([C@@H](c1ccccc1)O)N NPU [0,1,0,0,0,0|1,0,0]=2 55 B11R1.36 C[C@H](c1ccccc1)C(=O)O GRO [0,1,0,0,0,0|1,0,1]=3 56 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N 004 [0,1,0,0,0,0|2,0,1]=4 57 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)O SMN [0,1,0,0,0,0|2,0,1]=4 58 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)N PG9 [0,1,0,0,0,0|2,0,1]=4 59 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)N PGY [0,1,0,0,0,0|2,0,1]=4 60 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O RMN [0,1,0,0,0,0|2,0,1]=4 61 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)S RTD [0,1,0,0,0,0|2,0,1]=4 62 B11R1.222 c1ccc(c(c1)C(=O)NN)Cl 5G1 [0,1,0,0,0,0|2,0,1]=4 63 B11R2.1 Cc1c2ccccc2n[nH]1 0RW [0,0,0,1,0,0|1,0,2]=4 64 B11R2.1 c1ccc2c(c1)CCC2=O 1ON [0,0,0,1,0,0|2,0,1]=4 65 B11R2.1 c1ccc2c(c1)c(n[nH]2)N JNZ [0,0,0,1,0,0|2,0,1]=4 66 B11R2.4 c1ccc(cc1)[C@@H]2C[C@H]2N GJZ [0,0,0,1,0,0|0,0,0]=1 67 B11R2.4 c1ccc(cc1)[C@H]2C[C@@H]2[NH3+] TPA [0,0,0,1,0,0|0,0,1]=2 68 B9R1.11 CC[C@@H](C)c1nccs1 TZL [0,0,0,0,1,0|3,0,0]=4 69 B11R1.40 CC[C@H](Cc1ccccc1)N PO0 [0,0,0,0,0,1|2,0,0]=3 70 B11R1.40 C[C@@H](Cc1ccccc1)NC B40 [0,0,0,0,0,1|2,0,0]=3 71 B11R1.40 c1ccc(cc1)C[C@@H](C=O)N PHA [0,0,0,0,0,1|2,0,1]=4 72 B11R1.40 c1ccc(cc1)C[C@@H](CO)N PHL [0,0,0,0,0,1|2,0,0]=3 73 B11R1.40 c1ccc(cc1)C[C@@H](CO)O PPP [0,0,0,0,0,1|2,0,0]=3 74 B11R1.40 c1ccc(cc1)C[C@@H]([C-]=O)[NH-] PHE_LL [0,0,0,0,0,1|2,0,1]=4 75 B11R1.40 c1ccc(cc1)C[C@@H]([C-]=O)[NH3+] PHE_LSN3 [0,0,0,0,0,1|2,0,1]=4 76 B11R1.40 c1ccc(cc1)C[C@H](CO)N PDH [0,0,0,0,0,1|2,0,0]=3 77 B11R1.40 c1ccc(cc1)NC(=O)ON PHJ [0,0,0,0,0,1|2,0,1]=4 78 B8R1.2 B1(C=CC=CN1)CC 6OQ [2,0,0,0,0,0|2,0,0]=4 79 B8R1.2 B1C=CC=CN1CC B24 [2,0,0,0,0,0|2,0,0]=4 80 B8R1.2 C=Cc1ccccc1 SYN [2,0,0,0,0,0|0,0,2]=4 81 B8R1.2 CCc1ccccc1 N2B [2,0,0,0,0,0|0,0,0]=2 82 B8R1.2 CCc1ccccc1 PYJ [2,0,0,0,0,0|0,0,0]=2 83 B8R1.2 CNc1ccccc1 1MR [2,0,0,0,0,0|1,0,0]=3 84 B8R1.2 COc1cccnc1 282 [2,0,0,0,0,0|2,0,0]=4 85 B8R1.2 CSc1ccccc1 16R [2,0,0,0,0,0|1,0,0]=3 86 B8R1.2 c1cc(cnc1)CN 0YC [2,0,0,0,0,0|1,0,0]=3 87 B8R1.2 c1cc(cnc1)CO PYF [2,0,0,0,0,0|2,0,0]=4 88 B8R1.2 c1cc(cnc1)CS PY2 [2,0,0,0,0,0|2,0,0]=4 89 B8R1.2 c1ccc(cc1)C=O HBX [2,0,0,0,0,0|1,0,1]=4 90 B8R1.2 c1ccc(cc1)CCl 9CL [2,0,0,0,0,0|1,0,0]=3 91 B8R1.2 c1ccc(cc1)CN ABN [2,0,0,0,0,0|0,0,0]=2 92 B8R1.2 c1ccc(cc1)CO 010 [2,0,0,0,0,0|1,0,0]=3 93 B8R1.2 c1ccc(cc1)N=O NBE [2,0,0,0,0,0|2,0,0]=4 94 B8R1.2 c1ccc(cc1)NN PHZ [2,0,0,0,0,0|1,0,0]=3 95 B8R1.2 c1ccc(cc1)[As]=O PA0 [2,0,0,0,0,0|2,0,0]=4 96 B8R1.2 c1ccnc(c1)CN APY [2,0,0,0,0,0|1,0,0]=3 97 B8R1.2 c1cnccc1CN NNW [2,0,0,0,0,0|1,0,0]=3 98 B8R1.2 c1cnccc1CO PY7 [2,0,0,0,0,0|2,0,0]=4 99 B10R1.13 CC(=O)c1ccc(cc1)Br PBP [1,1,0,0,0,0|1,0,1]=4 100 B10R1.13 CC(=O)c1ccc(cc1)O AC6 [1,1,0,0,0,0|1,0,1]=4 101 B10R1.13 CC(C)c1ccc(cc1)N ISO [1,1,0,0,0,0|0,0,0]=2 102 B10R1.13 Cc1ccc(cc1)C(C)C MML [1,1,0,0,0,0|0,0,0]=2 103 B10R1.13 c1cc(ccc1C(=O)N)O HBD [1,1,0,0,0,0|1,0,1]=4 104 B10R1.13 c1cc(ccc1C(=[NH2+])N)N PBZ [1,1,0,0,0,0|1,0,1]=4 105 B10R1.28 CS(=O)(=O)c1ccccc1 SML [1,1,0,0,0,0|2,0,0]=4 106 B10R1.28 c1ccc(cc1)S(=O)(=O)N FB2 [1,1,0,0,0,0|2,0,0]=4 107 B10R1.61 CC(=O)c1ccccc1N VNJ [1,1,0,0,0,0|1,0,1]=4 108 B10R1.61 CC(C)c1ccccc1O IP0 [1,1,0,0,0,0|0,0,0]=2 109 B10R1.61 c1ccc(c(c1)C(=O)N)N 2AE [1,1,0,0,0,0|1,0,1]=4 110 B10R1.61 c1ccc(c(c1)C(=O)N)O OHB [1,1,0,0,0,0|1,0,1]=4 111 B10R1.113 CC(=O)c1cccc(c1)N 3AO [1,1,0,0,0,0|1,0,1]=4 112 B10R1.113 CC(=O)c1cccc(c1)O 53C [1,1,0,0,0,0|1,0,1]=4 113 B10R1.113 c1cc(cc(c1)Cl)C(=O)N WCE [1,1,0,0,0,0|1,0,1]=4 114 B10R1.113 c1cc(cc(c1)N)C(=O)N 3AB [1,1,0,0,0,0|1,0,1]=4 115 B10R1.1 c1cc(ccc1CC#N)O 3AQ [1,1,0,0,0,0|0,0,2]=4 116 B10R1.1 c1cc(ccc1CCN)O AEF [1,1,0,0,0,0|0,0,0]=2 117 B10R1.1 c1cc(ccc1CCO)F 4FA [1,1,0,0,0,0|1,0,0]=3 118 B10R1.1 c1cc(ccc1CCO)O YRL [1,1,0,0,0,0|1,0,0]=3 119 B10R1.4 C1=CC=[N](C(=C1)N)CCO 1LN [1,1,0,0,0,0|2,0,0]=4 120 B10R1.4 C=CCc1ccccc1O 2LP [1,1,0,0,0,0|1,0,1]=4 121 B10R1.4 CCCc1ccccc1N PRY [1,1,0,0,0,0|1,0,0]=3 122 B10R1.4 CCCc1ccccc1O JZ4 [1,1,0,0,0,0|1,0,0]=3 123 B10R1.4 CCOc1ccccc1O 261 [1,1,0,0,0,0|2,0,0]=4 124 B10R1.4 c1ccc(c(c1)CCN)F BSX [1,1,0,0,0,0|0,0,0]=2 125 B10R1.17 C=CCNc1ccccc1 NYL [1,1,0,0,0,0|1,0,1]=4 126 B10R1.17 CCCCc1ccccc1 N4B [1,1,0,0,0,0|1,0,0]=3 127 B10R1.17 c1ccc(cc1)CCC=O 3PL [1,1,0,0,0,0|1,0,0]=3 128 B10R1.17 c1ccc(cc1)CCCCl LT1 [1,1,0,0,0,0|1,0,0]=3 129 B10R1.17 c1ccc(cc1)CCC[NH3+] PRA [1,1,0,0,0,0|0,0,1]=3 130 B10R1.17 c1ccc(cc1)CNC=O BNF [1,1,0,0,0,0|1,0,1]=4 131 B10R1.17 c1ccc(cc1)CNC=S 9BE [1,1,0,0,0,0|1,0,1]=4 132 B10R1.17 c1ccc(cc1)COC=O BZO [1,1,0,0,0,0|1,0,1]=4 133 B10R1.17 c1ccc(cc1)COC=O CBZ [1,1,0,0,0,0|1,0,1]=4 134 B10R1.17 c1ccc(cc1)NCC#N 264 [1,1,0,0,0,0|0,0,2]=4 135 B10R1.17 c1ccc(cc1)OCCCl 258 [1,1,0,0,0,0|1,0,0]=3 136 B10R1.17 c1ccc(cc1)OCCO 268 [1,1,0,0,0,0|1,0,0]=3 137 B10R1.17 c1cnccc1NCCN 01R [1,1,0,0,0,0|1,0,0]=3 138 B10R1.18 CC(C)Cc1ccccc1 I4B [1,1,0,0,0,0|1,0,0]=3 139 B10R1.18 C[C@@H](Cc1ccccc1)N 1WE [1,1,0,0,0,0|0,0,0]=2 140 B10R1.18 C[C@H](Cc1ccccc1)N FRD [1,1,0,0,0,0|0,0,0]=2 141 B10R1.18 N=C(\N)/Nc1ccccc1 PL0 [1,1,0,0,0,0|1,0,1]=4 142 B10R1.18 c1ccc(cc1)CC(=O)O PAC [1,1,0,0,0,0|1,0,1]=4 143 B10R1.18 c1ccc(cc1)NC(=O)N PHU [1,1,0,0,0,0|1,0,1]=4 144 B10R1.18 c1ccc(cc1)NC(=S)N URS [1,1,0,0,0,0|1,0,1]=4 145 B12R1.34 c1ccc(cc1)[C@@H]([C@H](CO)O)N TA2 [0,1,0,0,0,1|2,0,0]=4 146 B12R1.43 C[C@@H](Cc1ccccc1)C(=O)O DPH [0,1,0,0,0,1|1,0,1]=4 147 B12R1.43 C[C@@H]([C@H](Cc1ccccc1)N)O PS0 [0,1,0,0,0,1|2,0,0]=4 148 B12R1.43 C[C@H]([C@H](Cc1ccccc1)N)O HPB [0,1,0,0,0,1|2,0,0]=4 149 B12R1.43 C[C@H]([C@H](Cc1ccccc1)N)O PR0 [0,1,0,0,0,1|2,0,0]=4 150 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)N)N NFA [0,1,0,0,0,1|1,0,1]=4 151 B12R1.43 c1ccc(cc1)C[C@@H](C(O)O)N HPH [0,1,0,0,0,1|2,0,0]=4 152 B12R1.43 c1ccc(cc1)C[C@@H](C(O)O)N TPH [0,1,0,0,0,1|2,0,0]=4 153 B12R1.49 C[C@@H](Cc1ccc(cc1)O)NC 1WF [0,1,0,0,0,1|2,0,0]=4 154 B12R1.49 c1cc(ccc1C[C@@H](CO)N)O TYE [0,1,0,0,0,1|2,0,0]=4 155 B12R1.10 CC[N+](C)(C)c1cccc(c1)O EDR [0,2,0,0,0,0|2,0,0]=4 156 B12R1.253 C[C@@](c1ccccc1)(C(=O)O)N GRN [0,2,0,0,0,0|1,0,1]=4 157 B12R1.253 C[C@](c1ccccc1)(C(=O)O)O APG [0,2,0,0,0,0|1,0,1]=4 158 B12R1.253 C[C@](c1ccccc1)(C(=O)O)O SAA [0,2,0,0,0,0|1,0,1]=4 159 B12R1.3 CC[C@H](c1ccccc1)NC=O BAS [0,2,0,0,0,0|1,0,1]=4 160 B12R1.478 CN[C@@H](c1ccccc1)C(=O)O MPQ [0,2,0,0,0,0|1,0,1]=4 161 B12R1.107 C[C@@H](CC(=O)O)c1ccccc1 FBZ [0,2,0,0,0,0|1,0,0]=3 162 B12R1.107 c1ccc(cc1)C(CC(=O)O)N SFE [0,2,0,0,0,0|2,0,0]=4 163 B12R1.367 c1cc(c(cc1[C@H](CN)O)O)O LNR [0,2,0,0,0,0|1,0,0]=3 164 B12R1.367 c1cc(c(cc1[C@H](CN)O)O)O LT4 [0,2,0,0,0,0|1,0,0]=3 165 B12R1.225 C[C@@H](c1cccc(c1)O)N(C)C SAF [0,2,0,0,0,0|2,0,0]=4 166 B10R2.6 c1ccc(cc1)[C@@H]2CO2 RSO [1,0,0,1,0,0|1,0,0]=3 167 B10R2.7 c1ccc2c(c1)CC=C2 DEN [1,0,0,1,0,0|1,0,1]=4 168 B10R2.7 c1ccc2c(c1)CCC2 16N [1,0,0,1,0,0|1,0,0]=3 169 B10R2.7 c1ccc2c(c1)CCN2 IDM [1,0,0,1,0,0|0,0,0]=2 170 B10R2.7 c1ccc2c(c1)[nH]cn2 BZI [1,0,0,1,0,0|1,0,1]=4 171 B10R2.7 c1ccc2c(c1)[nH]nn2 0CT [1,0,0,1,0,0|2,0,0]=4 172 B10R2.7 c1ccc2c(c1)cc[nH]2 IND [1,0,0,1,0,0|0,0,2]=4 173 B10R2.7 c1ccc2c(c1)cn[nH]2 LZ1 [1,0,0,1,0,0|1,0,1]=4 174 B12R2.18 c1ccc2c(c1)C[C@H]([C@@H]2O)O 5V4 [0,0,0,1,0,1|2,0,0]=4 175 B12R2.18 c1ccc2c(c1)C[C@H]([C@H]2N)O 00X [0,0,0,1,0,1|1,0,0]=3 176 B12R2.32 c1ccc2c(c1)nc(s2)CN 2BG [0,0,0,1,0,1|1,0,1]=4 177 B12R2.1 CN[C@@H]1CCc2c1cccc2 RM1 [0,1,0,1,0,0|1,0,0]=3 178 B12R2.1 c1ccc2c(c1)c(cs2)CN K9S [0,1,0,1,0,0|0,0,2]=4 179 B12R2.2 c1ccc(cc1)[C@H]2CCCN2 96B [0,1,0,1,0,0|1,0,0]=3 180 B12R2.1081 C[C@@H]1c2ccccc2CCN1 YLG [0,1,0,1,0,0|1,0,0]=3 181 B12R2.1081 c1ccc2c(c1)CCC[C@H]2N 1Y5 [0,1,0,1,0,0|2,0,0]=4 182 B12R2.1081 c1ccc2c(c1)[C@@H](CCO2)N 1XY [0,1,0,1,0,0|2,0,0]=4 183 B12R2.612 Cc1c2ccc(cc2[nH]n1)O XQ0 [0,1,0,1,0,0|1,0,1]=4 184 B8R1.8 c1c(nc[nH]1)CCN HSM [1,0,0,0,1,0|2,0,0]=4 185 B8R1.8 c1cc(oc1)CCN 56T [1,0,0,0,1,0|1,0,0]=3