0 B7R1.2 C1C(=O)NC(=O)N1 HYN [0,0,0,0,0,0|3,0,1]=4 1 B7R1.2 Cc1[nH]c(nn1)S YY1 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.2 Cc1c[nH+]c(s1)N 25T [0,0,0,0,0,0|3,0,0]=3 3 B7R1.2 Cc1cc(no1)N M3I [0,0,0,0,0,0|4,0,0]=4 4 B7R1.2 Cc1cc(on1)N MIO [0,0,0,0,0,0|4,0,0]=4 5 B7R1.2 Cc1csc(n1)N 24T [0,0,0,0,0,0|2,0,1]=3 6 B7R1.2 c1c(sc(n1)N)Cl 1DH [0,0,0,0,0,0|4,0,0]=4 7 B6R1.2 C1=CNC(=S)N1 MZY [1,0,0,0,0,0|2,0,0]=3 8 B6R1.2 C[n+]1ccsc1 3MT [1,0,0,0,0,0|3,0,0]=4 9 B6R1.2 Cc1[nH]ccn1 2MZ [1,0,0,0,0,0|1,0,0]=2 10 B6R1.2 Cc1c[nH]cn1 4MZ [1,0,0,0,0,0|1,0,1]=3 11 B6R1.2 Cc1c[nH]nc1 4PZ [1,0,0,0,0,0|3,0,0]=4 12 B6R1.2 Cc1cc[nH]c1 5MP [1,0,0,0,0,0|2,0,0]=3 13 B6R1.2 Cn1cc[nH+]c1 1MZ [1,0,0,0,0,0|3,0,0]=4 14 B6R1.2 Cn1cccc1 MR3 [1,0,0,0,0,0|2,0,0]=3 15 B6R1.2 c1c(nc[nH]1)Br ES3 [1,0,0,0,0,0|2,0,1]=4 16 B6R1.2 c1cn[nH]c1N 3AX [1,0,0,0,0,0|2,0,0]=3 17 B6R1.2 c1cnc([nH]1)Cl 5KX [1,0,0,0,0,0|2,0,0]=3 18 B6R1.2 c1cnc([nH]1)N 2AI [1,0,0,0,0,0|2,0,0]=3 19 B6R1.2 c1csc(n1)N AMT [1,0,0,0,0,0|2,0,1]=4 20 B8R1.50 Cc1c(sc[n+]1C)C TMZ [0,1,0,0,0,0|3,0,0]=4 21 B8R1.50 Cc1csc([n+]1C)C TMT [0,1,0,0,0,0|1,0,1]=3 22 B6R0.2 CC(=O)CC(=O)C P2D [0,0,1,0,0,0|3,0,0]=4 23 B8R1.3 C1=CC(=O)C=CC1=O PLQ [0,0,0,0,0,1|3,0,0]=4 24 B8R1.3 C1=CC(=O)NC=C1Br 4HS [0,0,0,0,0,1|2,0,0]=3 25 B8R1.3 Cc1ccc(cc1)C PXY [0,0,0,0,0,1|1,0,0]=2 26 B8R1.3 Cc1ccc(cc1)N 4MN [0,0,0,0,0,1|2,0,0]=3 27 B8R1.3 Cc1ccc(cc1)O PCR [0,0,0,0,0,1|2,0,0]=3 28 B8R1.3 Cc1ccc(nc1)N LG4 [0,0,0,0,0,1|1,0,1]=3 29 B8R1.3 Cc1cnc(cn1)C 25R [0,0,0,0,0,1|1,0,1]=3 30 B8R1.3 c1cc(ccc1N)O 4NL [0,0,0,0,0,1|3,0,0]=4 31 B8R1.3 c1cc(ccc1O)Br BML [0,0,0,0,0,1|3,0,0]=4 32 B8R1.3 c1cc(ccc1O)Cl 4CH [0,0,0,0,0,1|3,0,0]=4 33 B8R1.3 c1cc(ccc1O)F FPN [0,0,0,0,0,1|3,0,0]=4 34 B8R1.3 c1cc(ccc1O)I IOL [0,0,0,0,0,1|3,0,0]=4 35 B8R1.3 c1cc(ccc1O)O HQE [0,0,0,0,0,1|3,0,0]=4 36 B8R1.3 c1cc(ccc1S)Br 2XE [0,0,0,0,0,1|3,0,0]=4 37 B8R1.3 c1cc(ncc1N)Br 4JN [0,0,0,0,0,1|2,0,1]=4 38 B8R1.3 c1cc(ncc1N)N DA1 [0,0,0,0,0,1|2,0,1]=4 39 B8R1.4 C1=C(NC(=O)N=C1)N CYT [0,0,0,0,0,1|2,0,0]=3 40 B8R1.4 C1=CNC(=O)NC1=O URA [0,0,0,0,0,1|2,0,0]=3 41 B8R1.4 C1=CNC(=O)N[C@H]1O HPY [0,0,0,0,0,1|2,0,1]=4 42 B8R1.4 C1=CNC(=S)NC1=O TUL [0,0,0,0,0,1|2,0,0]=3 43 B8R1.4 C1=NC(=O)NC(=N1)N 5AZ [0,0,0,0,0,1|3,0,0]=4 44 B8R1.4 CC1=CC(=S)NC=C1 4H2 [0,0,0,0,0,1|2,0,0]=3 45 B8R1.4 CN1CC=CC(=C1)N LG5 [0,0,0,0,0,1|3,0,0]=4 46 B8R1.4 Cc1cccc(c1)O CRS [0,0,0,0,0,1|2,0,0]=3 47 B8R1.4 Cc1cccc(c1)S M3T [0,0,0,0,0,1|2,0,0]=3 48 B8R1.4 Cc1cccc(n1)N 71M [0,0,0,0,0,1|1,0,1]=3 49 B8R1.4 Cc1ccnc(c1)N BVF [0,0,0,0,0,1|2,0,0]=3 50 B8R1.4 c1c(nc(cn1)Cl)N CIG [0,0,0,0,0,1|2,0,1]=4 51 B8R1.4 c1cc(cc(c1)Br)O B3R [0,0,0,0,0,1|3,0,0]=4 52 B8R1.4 c1cc(cc(c1)Cl)O 3CH [0,0,0,0,0,1|3,0,0]=4 53 B8R1.4 c1cc(cc(c1)O)O RCO [0,0,0,0,0,1|3,0,0]=4 54 B8R1.4 c1cc(nc(c1)N)N 26D [0,0,0,0,0,1|2,0,1]=4 55 B8R1.4 c1cnc(nc1N)N LG3 [0,0,0,0,0,1|2,0,1]=4 56 B5R0.1 CC=CC(=O)O BEO [1,0,1,0,0,0|2,0,0]=4 57 B5R0.2 C(=CC=O)C=O 2FU [1,0,1,0,0,0|2,0,0]=4 58 B5R0.2 C=CCNC=S 9AI [1,0,1,0,0,0|1,0,1]=4 59 B5R1.1 c1[nH]cnn1 TRI [2,0,0,0,0,0|2,0,0]=4 60 B5R1.1 c1c[nH+]c[nH]1 IMD [2,0,0,0,0,0|1,0,0]=3 61 B5R1.1 c1c[nH]nc1 PZO [2,0,0,0,0,0|1,0,0]=3 62 B5R1.1 c1cscn1 LOM [2,0,0,0,0,0|1,0,1]=4 63 B7R1.1 CCc1[nH]ccn1 2EZ [1,1,0,0,0,0|1,0,0]=3 64 B7R1.1 c1c([nH]cn1)CO MZ0 [1,1,0,0,0,0|1,0,0]=3 65 B7R1.1 c1cc(oc1)C=O FU2 [1,1,0,0,0,0|1,0,1]=4 66 B7R1.1 c1cnc([nH]1)CO BVG [1,1,0,0,0,0|1,0,0]=3 67 B7R1.1 c1cscc1CN BVC [1,1,0,0,0,0|2,0,0]=4 68 B7R1.4 CN1C=CNC1=S MMZ [1,1,0,0,0,0|2,0,0]=4 69 B7R1.4 Cc1[nH+]ccn1C DMI [1,1,0,0,0,0|1,0,0]=3 70 B7R1.4 Cc1csc[n+]1C DTI [1,1,0,0,0,0|1,0,1]=4 71 B9R1.1 CCc1ccc(cc1)O ETY [0,1,0,0,0,1|2,0,0]=4 72 B9R1.1 COc1ccc(cc1)Br BOP [0,1,0,0,0,1|2,0,0]=4 73 B9R1.1 COc1ccc(cc1)O 4KS [0,1,0,0,0,1|2,0,0]=4 74 B9R1.1 CSc1ccc(cc1)N 4JM [0,1,0,0,0,1|2,0,0]=4 75 B9R1.1 C[n+]1ccc(cc1)CN NNK [0,1,0,0,0,1|2,0,0]=4 76 B9R1.1 Cc1ccc(cc1)CN 02N [0,1,0,0,0,1|1,0,0]=3 77 B9R1.1 c1cc(ccc1CN)Br PZH [0,1,0,0,0,1|2,0,0]=4 78 B9R1.1 c1cc(ccc1CN)Cl C2B [0,1,0,0,0,1|2,0,0]=4 79 B9R1.1 c1cc(ccc1CN)N 4ZY [0,1,0,0,0,1|2,0,0]=4 80 B9R1.1 c1cc(ccc1CO)Br BRB [0,1,0,0,0,1|2,0,0]=4 81 B9R1.1 c1cc(ccc1CO)Cl 4JL [0,1,0,0,0,1|2,0,0]=4 82 B9R1.1 c1cc(ccc1C[NH3+])F FBA [0,1,0,0,0,1|2,0,0]=4 83 B9R1.69 C1=C(C(=O)NC=C1Br)O 27Y [0,1,0,0,0,1|2,0,0]=4 84 B9R1.69 CC1=CC(=S)C(=CO1)O TM7 [0,1,0,0,0,1|2,0,0]=4 85 B9R1.69 CC1=CN(C(=S)C=C1)O 5MH [0,1,0,0,0,1|1,0,0]=3 86 B9R1.69 CC1=CNC(=O)N=C1N 17E [0,1,0,0,0,1|2,0,0]=4 87 B9R1.69 CC1=CNC(=O)NC1=O TDR [0,1,0,0,0,1|2,0,0]=4 88 B9R1.69 Cc1ccc(c(c1)C)C XBZ [0,1,0,0,0,1|1,0,0]=3 89 B9R1.69 Cc1ccc(c(c1)C)N 51S [0,1,0,0,0,1|2,0,0]=4 90 B9R1.69 Cc1ccc(c(c1)N)C XYD [0,1,0,0,0,1|1,0,0]=3 91 B9R1.69 Cc1ccc(c(c1)N)O 2AC [0,1,0,0,0,1|2,0,0]=4 92 B9R1.69 Cc1ccc(c(c1)O)O MCT [0,1,0,0,0,1|2,0,0]=4 93 B9R1.69 Cc1ccc(c(c1)S)O HT4 [0,1,0,0,0,1|2,0,0]=4 94 B9R1.69 Cc1ccc(c(c1)S)S TLD [0,1,0,0,0,1|2,0,0]=4 95 B9R1.69 Cc1ccc(c[n+]1C)N 275 [0,1,0,0,0,1|1,0,1]=4 96 B9R1.69 Cc1ccc(cc1C)N 34A [0,1,0,0,0,1|2,0,0]=4 97 B9R1.69 Cc1ccc(cc1C)O 2MP [0,1,0,0,0,1|2,0,0]=4 98 B9R1.69 Cc1ccc(cc1O)Cl JZ2 [0,1,0,0,0,1|2,0,0]=4 99 B9R1.69 Cc1cnc(nc1N)C PYD [0,1,0,0,0,1|1,0,1]=4 100 B9R1.69 Cc1cnc(nc1N)C YF1 [0,1,0,0,0,1|1,0,1]=4 101 B9R1.2 C[n+]1cccc(c1)CN NNJ [0,1,0,0,0,1|2,0,0]=4 102 B9R1.2 Cc1cccc(c1)C#N 2HT [0,1,0,0,0,1|1,0,1]=4 103 B9R1.2 Cc1cccc(c1)CN ZF0 [0,1,0,0,0,1|1,0,0]=3 104 B9R1.2 c1cc(cc(c1)Br)CN 4JH [0,1,0,0,0,1|2,0,0]=4 105 B9R1.2 c1cc(cc(c1)Cl)CN C2A [0,1,0,0,0,1|2,0,0]=4 106 B9R1.2 c1cc(cc(c1)F)CN ZDV [0,1,0,0,0,1|2,0,0]=4 107 B9R1.2 c1cc(cc(c1)I)CO IOB [0,1,0,0,0,1|2,0,0]=4 108 B9R1.2 c1cc(cc(c1)N)CN DBP [0,1,0,0,0,1|2,0,0]=4 109 B9R1.2 c1cc(cc(c1)O)CO 3HY [0,1,0,0,0,1|2,0,0]=4 110 B9R1.2 c1cc(nc(c1)Br)CO 4HU [0,1,0,0,0,1|1,0,1]=4 111 B9R1.2 c1cnc(cc1Cl)CN NNY [0,1,0,0,0,1|2,0,0]=4 112 B9R1.2 c1cnc(cc1Cl)CO HM3 [0,1,0,0,0,1|2,0,0]=4 113 B9R1.3 CC1=C(C(=S)C=CO1)O TM4 [0,1,0,0,0,1|2,0,0]=4 114 B9R1.3 CC1=CC=CC(=S)N1O 6MH [0,1,0,0,0,1|1,0,0]=3 115 B9R1.3 Cc1cccc(c1N)Cl 2CM [0,1,0,0,0,1|2,0,0]=4 116 B9R1.3 Cc1cccc(c1N)N 2C9 [0,1,0,0,0,1|2,0,0]=4 117 B9R1.3 Cc1cccc(c1O)C 2MY [0,1,0,0,0,1|1,0,0]=3 118 B9R1.3 Cc1cccc(c1O)O MBD [0,1,0,0,0,1|2,0,0]=4 119 B9R1.34 Cc1cc(cc(c1)O)C ERH [0,1,0,0,0,1|1,0,0]=3 120 B9R1.34 Cc1cc(nc(c1)N)C 71L [0,1,0,0,0,1|1,0,0]=3 121 B9R1.34 Cc1cc(nc(n1)N)C 5ZE [0,1,0,0,0,1|1,0,1]=4 122 B9R1.34 Cc1cc(nc(n1)O)O 6MU [0,1,0,0,0,1|1,0,1]=4 123 B9R1.21 c1cc(oc1CO)C=O FUX [0,2,0,0,0,0|1,0,1]=4 124 B9R1.22 Cc1cc(c(o1)C)CN SZ9 [0,2,0,0,0,0|1,0,0]=3 125 B9R1.22 Cc1cc(n(n1)C)CN 47J [0,2,0,0,0,0|1,0,1]=4 126 B9R1.23 Cc1cc(nn1C)CN SW3 [0,2,0,0,0,0|1,0,1]=4 127 B9R1.35 Cc1ccc([nH]1)C(=O)O 5M1 [0,2,0,0,0,0|0,0,1]=3 128 B9R1.35 Cc1ccc(o1)C(=O)O 2K1 [0,2,0,0,0,0|1,0,1]=4 129 B9R1.37 C[C@@H]1C(=O)C(=C(O1)C)O 1XX [0,2,0,0,0,0|1,0,1]=4 130 B9R1.27 CCN1C(=O)C=CC1=O NEQ [0,2,0,0,0,0|2,0,0]=4 131 B7R1.3 Cc1ccccc1 MBN [0,0,1,1,0,0|1,0,1]=4 132 B9R2.39 C1[C@@H]2C=C[C@H]1NC2=O 66Y [0,0,0,1,0,1|1,0,1]=4 133 B9R2.39 C1[C@H]2C=C[C@@H]1NC2=O 66Z [0,0,0,1,0,1|1,0,1]=4