0 B10R1.17 C=CCNc1ccccc1 NYL [0,0,0,0,0,0|2,0,1]=3 1 B10R1.17 CCCCc1ccccc1 N4B [0,0,0,0,0,0|2,0,0]=2 2 B10R1.17 c1ccc(cc1)CCC=O 3PL [0,0,0,0,0,0|1,0,2]=3 3 B10R1.17 c1ccc(cc1)CCCCl LT1 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.17 c1ccc(cc1)CCC[NH3+] PRA [0,0,0,0,0,0|2,0,0]=2 5 B10R1.17 c1ccc(cc1)CNC=O BNF [0,0,0,0,0,0|2,0,2]=4 6 B10R1.17 c1ccc(cc1)CNC=S 9BE [0,0,0,0,0,0|2,1,1]=4 7 B10R1.17 c1ccc(cc1)COC=O BZO [0,0,0,0,0,0|2,0,2]=4 8 B10R1.17 c1ccc(cc1)COC=O CBZ [0,0,0,0,0,0|2,0,2]=4 9 B10R1.17 c1ccc(cc1)NCC#N 264 [0,0,0,0,0,0|2,0,1]=3 10 B10R1.17 c1ccc(cc1)OCCCl 258 [0,0,0,0,0,0|1,0,0]=1 11 B10R1.17 c1ccc(cc1)OCCO 268 [0,0,0,0,0,0|0,0,0]=0 12 B10R1.17 c1cnccc1NCCN 01R [0,0,0,0,0,0|3,0,0]=3 13 B9R1.8 CCCc1ccccc1 3H0 [1,0,0,0,0,0|1,0,0]=2 14 B9R1.8 CCOc1ccccc1 16Q [1,0,0,0,0,0|0,0,0]=1 15 B9R1.8 CCSc1ccccc1 16M [1,0,0,0,0,0|0,1,0]=2 16 B9R1.8 CNCc1ccccc1 271 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.8 CSCc1ccccc1 PTF [1,0,0,0,0,0|2,0,0]=3 18 B9R1.8 c1cc(cnc1)CCN 45X [1,0,0,0,0,0|2,0,0]=3 19 B9R1.8 c1ccc(cc1)CC=O HY1 [1,0,0,0,0,0|0,0,2]=3 20 B9R1.8 c1ccc(cc1)CCCl CEE [1,0,0,0,0,0|1,0,0]=2 21 B9R1.8 c1ccc(cc1)CCO PEL [1,0,0,0,0,0|0,0,0]=1 22 B9R1.8 c1ccc(cc1)CC[NH3+] PEA [1,0,0,0,0,0|1,0,0]=2 23 B9R1.8 c1ccc(cc1)CNN BZZ [1,0,0,0,0,0|2,0,0]=3 24 B9R1.8 c1ccc(cc1)CON OBZ [1,0,0,0,0,0|2,0,0]=3 25 B9R1.8 c1ccc(cc1)N=C=S FTE [1,0,0,0,0,0|1,1,1]=4 26 B9R1.8 c1ccc(cc1)NC=O FAN [1,0,0,0,0,0|1,0,2]=4 27 B9R1.8 c1ccc(cc1)NC=S 0FI [1,0,0,0,0,0|1,1,1]=4 28 B11R1.1 c1cc(ncc1Cl)SCCO YPN [0,1,0,0,0,0|1,1,0]=3 29 B11R1.16 CCCC(=O)c1cccnc1 PBO [0,1,0,0,0,0|3,0,0]=4 30 B11R1.16 c1ccc(cc1)C(=O)CCO P18 [0,1,0,0,0,0|1,0,0]=2 31 B11R1.16 c1ccc(cc1)C(=O)NCO 1Q8 [0,1,0,0,0,0|2,0,0]=3 32 B11R1.16 c1ccc(cc1)[C@@H](CCCl)O 269 [0,1,0,0,0,0|2,0,0]=3 33 B11R1.28 CCCCCc1ccccc1 3H2 [0,1,0,0,0,0|2,0,0]=3 34 B11R1.28 c1ccc(cc1)CCCCN PBN [0,1,0,0,0,0|2,0,0]=3 35 B11R1.28 c1ccc(cc1)CCNC=O EOA [0,1,0,0,0,0|1,0,2]=4 36 B11R1.28 c1ccc(cc1)CCNC=S LE2 [0,1,0,0,0,0|1,1,1]=4 37 B11R1.40 CC[C@H](Cc1ccccc1)N PO0 [0,1,0,0,0,0|2,0,0]=3 38 B11R1.40 C[C@@H](Cc1ccccc1)NC B40 [0,1,0,0,0,0|3,0,0]=4 39 B11R1.40 c1ccc(cc1)C[C@@H](C=O)N PHA [0,1,0,0,0,0|1,0,2]=4 40 B11R1.40 c1ccc(cc1)C[C@@H](CO)N PHL [0,1,0,0,0,0|1,0,0]=2 41 B11R1.40 c1ccc(cc1)C[C@@H](CO)O PPP [0,1,0,0,0,0|1,0,0]=2 42 B11R1.40 c1ccc(cc1)C[C@@H]([C-]=O)[NH-] PHE_LL [0,1,0,0,0,0|1,0,2]=4 43 B11R1.40 c1ccc(cc1)C[C@@H]([C-]=O)[NH3+] PHE_LSN3 [0,1,0,0,0,0|1,0,2]=4 44 B11R1.40 c1ccc(cc1)C[C@H](CO)N PDH [0,1,0,0,0,0|1,0,0]=2 45 B11R1.91 B(CCc1ccccc1)(O)O PBA [0,1,0,0,0,0|2,0,0]=3 46 B11R1.91 C[C@H](CCc1ccccc1)N 4DD [0,1,0,0,0,0|2,0,0]=3 47 B11R1.91 c1ccc(cc1)/C=C/C(=O)O TCA [0,1,0,0,0,0|1,0,2]=4 48 B11R1.91 c1ccc(cc1)CCC(=O)O HCI [0,1,0,0,0,0|1,0,1]=3 49 B11R1.91 c1ccc(cc1)CNC(=O)O PMQ [0,1,0,0,0,0|2,0,1]=4 50 B11R1.91 c1ccc(cc1)COC(=O)O BGG [0,1,0,0,0,0|2,0,1]=4 51 B11R1.91 c1ccc(cc1)OCC(=O)N PO6 [0,1,0,0,0,0|0,0,2]=3 52 B11R1.91 c1ccc(cc1)OCC(=O)O 06Y [0,1,0,0,0,0|0,0,1]=2 53 B11R2.1 B1(c2ccccc2CO1)O 6M9 [0,0,0,1,0,0|3,0,0]=4 54 B11R2.1 c1ccc2c(c1)CCC2=O 1ON [0,0,0,1,0,0|1,0,2]=4 55 B11R2.1 c1ccc2c(c1)c(no2)N HLR [0,0,0,1,0,0|2,0,1]=4 56 B11R2.4 c1ccc(cc1)[C@@H]2C[C@H]2N GJZ [0,0,0,1,0,0|2,0,0]=3 57 B11R2.4 c1ccc(cc1)[C@H]2C[C@@H]2[NH3+] TPA [0,0,0,1,0,0|2,0,0]=3 58 B11R2.20 c1ccc2c(c1)CCNC2 2CK [0,0,0,1,0,0|3,0,0]=4 59 B8R1.2 B1(C=CC=CN1)CC 6OQ [2,0,0,0,0,0|2,0,0]=4 60 B8R1.2 B1C=CC=CN1CC B24 [2,0,0,0,0,0|2,0,0]=4 61 B8R1.2 C=Cc1ccccc1 SYN [2,0,0,0,0,0|0,0,2]=4 62 B8R1.2 CCc1ccccc1 N2B [2,0,0,0,0,0|0,0,0]=2 63 B8R1.2 CCc1ccccc1 PYJ [2,0,0,0,0,0|0,0,0]=2 64 B8R1.2 CNc1ccccc1 1MR [2,0,0,0,0,0|1,0,0]=3 65 B8R1.2 COc1cccnc1 282 [2,0,0,0,0,0|1,0,0]=3 66 B8R1.2 CSc1ccccc1 16R [2,0,0,0,0,0|0,1,0]=3 67 B8R1.2 c1cc(cnc1)CN 0YC [2,0,0,0,0,0|2,0,0]=4 68 B8R1.2 c1cc(cnc1)CO PYF [2,0,0,0,0,0|1,0,0]=3 69 B8R1.2 c1cc(cnc1)CS PY2 [2,0,0,0,0,0|1,1,0]=4 70 B8R1.2 c1ccc(cc1)C=O HBX [2,0,0,0,0,0|0,0,2]=4 71 B8R1.2 c1ccc(cc1)CCl 9CL [2,0,0,0,0,0|1,0,0]=3 72 B8R1.2 c1ccc(cc1)CN ABN [2,0,0,0,0,0|1,0,0]=3 73 B8R1.2 c1ccc(cc1)CO 010 [2,0,0,0,0,0|0,0,0]=2 74 B8R1.2 c1ccc(cc1)N=O NBE [2,0,0,0,0,0|1,0,1]=4 75 B8R1.2 c1ccc(cc1)NN PHZ [2,0,0,0,0,0|2,0,0]=4 76 B8R1.2 c1ccc(cc1)[As]=O PA0 [2,0,0,0,0,0|1,0,1]=4 77 B8R1.2 c1ccnc(c1)CN APY [2,0,0,0,0,0|2,0,0]=4 78 B8R1.2 c1cnccc1CN NNW [2,0,0,0,0,0|2,0,0]=4 79 B8R1.2 c1cnccc1CO PY7 [2,0,0,0,0,0|1,0,0]=3 80 B10R1.1 c1cc(ccc1CC#N)O 3AQ [1,1,0,0,0,0|1,0,1]=4 81 B10R1.1 c1cc(ccc1CCN)O AEF [1,1,0,0,0,0|1,0,0]=3 82 B10R1.1 c1cc(ccc1CCO)F 4FA [1,1,0,0,0,0|0,0,0]=2 83 B10R1.1 c1cc(ccc1CCO)O YRL [1,1,0,0,0,0|0,0,0]=2 84 B10R1.4 C1=CC=[N](C(=C1)N)CCO 1LN [1,1,0,0,0,0|1,0,0]=3 85 B10R1.4 C=CCc1ccccc1O 2LP [1,1,0,0,0,0|1,0,1]=4 86 B10R1.4 CCCc1ccccc1N PRY [1,1,0,0,0,0|1,0,0]=3 87 B10R1.4 CCCc1ccccc1O JZ4 [1,1,0,0,0,0|1,0,0]=3 88 B10R1.4 CCOc1ccccc1O 261 [1,1,0,0,0,0|0,0,0]=2 89 B10R1.4 c1ccc(c(c1)CCN)F BSX [1,1,0,0,0,0|1,0,0]=3 90 B10R1.15 C#C[C@H](c1ccccc1)O 1DJ [1,1,0,0,0,0|1,0,1]=4 91 B10R1.15 CCC(=O)c1ccccc1 I1E [1,1,0,0,0,0|1,0,0]=3 92 B10R1.15 CC[C@@H](C)c1ccccc1 3GY [1,1,0,0,0,0|1,0,0]=3 93 B10R1.15 C[C@H](C=O)c1ccccc1 1LP [1,1,0,0,0,0|0,0,2]=4 94 B10R1.15 c1ccc(cc1)C(=O)CO HXT [1,1,0,0,0,0|0,0,1]=3 95 B10R1.15 c1ccc(cc1)C(=O)NO BHO [1,1,0,0,0,0|1,0,1]=4 96 B10R1.15 c1ccc(cc1)[C@@H](C#N)O MNN [1,1,0,0,0,0|1,0,1]=4 97 B10R1.15 c1ccc(cc1)[C@H](C#N)O MXN [1,1,0,0,0,0|1,0,1]=4 98 B10R1.15 c1ccc(cc1)[C@H](CO)O FEH [1,1,0,0,0,0|0,0,0]=2 99 B10R1.18 CC(=O)Oc1ccccc1 QY9 [1,1,0,0,0,0|0,0,1]=3 100 B10R1.18 CC(C)Cc1ccccc1 I4B [1,1,0,0,0,0|1,0,0]=3 101 B10R1.18 C[C@@H](Cc1ccccc1)N 1WE [1,1,0,0,0,0|1,0,0]=3 102 B10R1.18 C[C@H](Cc1ccccc1)N FRD [1,1,0,0,0,0|1,0,0]=3 103 B10R1.18 c1ccc(cc1)CC(=O)O PAC [1,1,0,0,0,0|0,0,1]=3 104 B12R1.16 CN(CCO)c1ccc(cn1)Br 4VY [0,2,0,0,0,0|2,0,0]=4 105 B12R1.21 Cc1ccc(cc1)CCC(=O)O PPT [0,2,0,0,0,0|1,0,1]=4 106 B12R1.21 c1cc(ccc1CCC(=O)O)Cl S0W [0,2,0,0,0,0|1,0,1]=4 107 B12R1.21 c1cc(ccc1CCC(=O)O)N AHC [0,2,0,0,0,0|1,0,1]=4 108 B12R1.21 c1cc(ccc1CCC(=O)O)O HPP [0,2,0,0,0,0|1,0,1]=4 109 B12R1.49 c1cc(ccc1C[C@@H](CO)N)O TYE [0,2,0,0,0,0|1,0,0]=3 110 B12R1.30 c1ccc(cc1)C(=O)NCCS BFE [0,2,0,0,0,0|1,1,0]=4 111 B12R1.34 c1ccc(cc1)[C@@H]([C@H](CO)O)N TA2 [0,2,0,0,0,0|1,0,0]=3 112 B12R1.107 C[C@@H](CC(=O)O)c1ccccc1 FBZ [0,2,0,0,0,0|1,0,1]=4 113 B12R1.107 c1ccc(cc1)C(CC(=O)O)N SFE [0,2,0,0,0,0|1,0,1]=4 114 B12R1.125 Cc1ccccc1CCC(=O)O 02Q [0,2,0,0,0,0|1,0,1]=4 115 B12R1.8 CCCCCCc1ccccc1 3GZ [0,2,0,0,0,0|2,0,0]=4 116 B12R1.32 c1ccc(cc1)NC(=O)CCS 4K3 [0,2,0,0,0,0|1,1,0]=4 117 B12R1.252 c1ccc(cc1)CCCC(=O)O CLT [0,2,0,0,0,0|1,0,0]=3 118 B12R1.252 c1ccc(cc1)CNCC(=O)O 04Q [0,2,0,0,0,0|1,0,1]=4 119 B12R1.43 B([C@H](Cc1ccccc1)N)(O)O B1F [0,2,0,0,0,0|2,0,0]=4 120 B12R1.43 B([C@H](Cc1ccccc1)N)(O)O B2F [0,2,0,0,0,0|2,0,0]=4 121 B12R1.43 C[C@@H](Cc1ccccc1)C(=O)O DPH [0,2,0,0,0,0|1,0,1]=4 122 B12R1.43 C[C@@H]([C@H](Cc1ccccc1)N)O PS0 [0,2,0,0,0,0|1,0,0]=3 123 B12R1.43 C[C@H]([C@H](Cc1ccccc1)N)O HPB [0,2,0,0,0,0|1,0,0]=3 124 B12R1.43 C[C@H]([C@H](Cc1ccccc1)N)O PR0 [0,2,0,0,0,0|1,0,0]=3 125 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)Cl WJ1 [0,2,0,0,0,0|1,0,1]=4 126 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N PHE [0,2,0,0,0,0|1,0,1]=4 127 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N PHE_LFOH [0,2,0,0,0,0|1,0,1]=4 128 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O HFA [0,2,0,0,0,0|1,0,1]=4 129 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O LLA [0,2,0,0,0,0|1,0,1]=4 130 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O LOF [0,2,0,0,0,0|1,0,1]=4 131 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)[NH-] PHE_LEO2H [0,2,0,0,0,0|1,0,1]=4 132 B12R1.43 c1ccc(cc1)C[C@@H](C(O)O)N HPH [0,2,0,0,0,0|1,0,0]=3 133 B12R1.43 c1ccc(cc1)C[C@@H](C(O)O)N TPH [0,2,0,0,0,0|1,0,0]=3 134 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)Cl WJ2 [0,2,0,0,0,0|1,0,1]=4 135 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)N DPN [0,2,0,0,0,0|1,0,1]=4 136 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)O HF2 [0,2,0,0,0,0|1,0,1]=4 137 B10R2.6 c1ccc(cc1)[C@@H]2CO2 RSO [1,0,0,1,0,0|0,0,0]=2 138 B10R2.7 c1ccc2c(c1)CC=C2 DEN [1,0,0,1,0,0|1,0,1]=4 139 B10R2.7 c1ccc2c(c1)CCC2 16N [1,0,0,1,0,0|1,0,0]=3 140 B10R2.7 c1ccc2c(c1)CCN2 IDM [1,0,0,1,0,0|1,0,0]=3 141 B10R2.7 c1ccc2c(c1)cco2 BZF [1,0,0,1,0,0|0,0,2]=4 142 B10R2.7 c1ccc2c(c1)cno2 0R1 [1,0,0,1,0,0|1,0,1]=4 143 B12R2.2 c1ccc(cc1)[C@H]2CCCN2 96B [0,1,0,1,0,0|2,0,0]=4 144 B12R2.1081 C[C@@H]1c2ccccc2CCN1 YLG [0,1,0,1,0,0|2,0,0]=4 145 B12R2.1081 c1cc2c(c(c1)O)CCCC2 TN1 [0,1,0,1,0,0|2,0,0]=4 146 B12R2.1081 c1ccc2c(c1)CCC[C@H]2N 1Y5 [0,1,0,1,0,0|2,0,0]=4 147 B12R2.1081 c1ccc2c(c1)[C@@H](CCO2)N 1XY [0,1,0,1,0,0|1,0,0]=3 148 B12R2.32 c1ccc2c(c1)[nH]c(n2)CO XIY [0,1,0,1,0,0|1,0,1]=4 149 B12R2.1 CN[C@@H]1CCc2c1cccc2 RM1 [0,1,0,1,0,0|2,0,0]=4 150 B12R2.1 c1ccc2c(c1)c(cs2)CO 4W1 [0,1,0,1,0,0|0,1,1]=4 151 B12R2.1 c1ccc2c(c1)ncn2CO 7HQ [0,1,0,1,0,0|1,0,1]=4 152 B12R2.18 c1ccc2c(c1)C[C@H]([C@@H]2O)O 5V4 [0,1,0,1,0,0|1,0,0]=3 153 B12R2.18 c1ccc2c(c1)C[C@H]([C@H]2N)O 00X [0,1,0,1,0,0|2,0,0]=4 154 B8R1.8 c1cc(oc1)CCN 56T [1,0,0,0,1,0|2,0,0]=4 155 B8R1.8 c1cnn(c1)CCO 1DU [1,0,0,0,1,0|2,0,0]=4