0 B5R0.5 CC(C(=N)N)O WX619923 [0,0,0,0,0,0|3,0,0]=3 1 B5R0.5 CN(C)C(=N)N WX619912 [0,0,0,0,0,0|4,0,0]=4 2 B5R0.5 CN(C)C(=N)N WX619935 [0,0,0,0,0,0|4,0,0]=4 3 B4R0.1 CC(C)NN WX684009 [1,0,0,0,0,0|3,0,0]=4 4 B4R0.1 CCC(=N)N WX619910 [1,0,0,0,0,0|2,0,0]=3 5 B6R0.3 C([C@H](C(=O)N)N)O WX665005 [0,1,0,0,0,0|1,0,0]=2 6 B6R0.3 CC(C)C(=N)NO WX619096 [0,1,0,0,0,0|2,0,0]=3 7 B6R0.3 CC(C)C(=O)NN WX684019 [0,1,0,0,0,0|2,0,0]=3 8 B6R0.3 CC(C)\C(=N\O)\N WX690138 [0,1,0,0,0,0|2,0,0]=3 9 B6R0.3 CN(C)C(=O)CI WX630194 [0,1,0,0,0,0|3,0,0]=4 10 B6R0.3 CNC(=O)C(=O)O WXC01945 [0,1,0,0,0,0|1,0,1]=3 11 B6R0.3 COC(=O)C(=N)N WX619922 [0,1,0,0,0,0|1,0,1]=3 12 B6R0.7 CC(=O)C(C)(C)N WX600266 [0,1,0,0,0,0|1,0,0]=2 13 B6R0.7 CC(C)(C(=N)N)O WXC00585 [0,1,0,0,0,0|3,0,0]=4 14 B6R0.7 CC(C)(C)C(=N)N WX619906 [0,1,0,0,0,0|3,0,0]=4 15 B6R0.7 CC(C)(C)C(=N)N WX619940 [0,1,0,0,0,0|3,0,0]=4 16 B6R0.7 C[C@@H](C(F)(F)F)N WX600101 [0,1,0,0,0,0|2,0,1]=4 17 B6R1.9 C1C(C1(F)F)N WX601170 [0,0,0,1,0,0|2,0,1]=4 18 B6R1.11 B(C1CC1)(O)O WX658003 [0,0,0,1,0,0|2,0,1]=4 19 B6R1.11 C1CC1C(=N)N WX619908 [0,0,0,1,0,0|3,0,0]=4 20 B6R1.11 C1CC1C(=N)N WX684410 [0,0,0,1,0,0|3,0,0]=4 21 B6R1.11 CC(C1CC1)O WX642143 [0,0,0,1,0,0|2,0,1]=4 22 B6R1.11 C[C@@H](C1CC1)N WX600160 [0,0,0,1,0,0|2,0,1]=4 23 B6R1.11 C[C@H](C1CC1)N WX600040 [0,0,0,1,0,0|2,0,1]=4 24 B6R1.11 C[C@H](C1CC1)N WXC03224 [0,0,0,1,0,0|2,0,1]=4 25 B6R0.2 C[C@@H](CC(=O)O)N WX665057 [0,0,0,0,0,1|0,0,0]=1 26 B6R0.2 C\C(=C\C(=O)O)\I WXC02281 [0,0,0,0,0,1|1,0,1]=3 27 B5R0.1 C(CF)C(=O)O WX610266 [1,1,0,0,0,0|0,0,0]=2 28 B5R0.1 CC(=O)CNC WX600212 [1,1,0,0,0,0|1,0,0]=3 29 B5R0.1 CC(=O)\C=N\O WX690228 [1,1,0,0,0,0|1,0,1]=4 30 B5R0.1 CC(CNN)O WX684013 [1,1,0,0,0,0|1,0,1]=4 31 B5R0.1 CC(CNN)O WX684431 [1,1,0,0,0,0|1,0,1]=4 32 B5R0.1 CCCC(=N)N WX619909 [1,1,0,0,0,0|2,0,0]=4 33 B5R0.1 C[C@H](CC=C)O WX685032 [1,1,0,0,0,0|2,0,0]=4 34 B5R0.3 C(C(=O)NN)O WX684421 [1,1,0,0,0,0|1,0,0]=3 35 B5R0.3 CC(CN)CCl WX600337 [1,1,0,0,0,0|1,0,1]=4 36 B5R0.3 CCC(C)NN WX684015 [1,1,0,0,0,0|1,0,1]=4 37 B5R0.4 CC(C)(CN)O WX600104 [1,1,0,0,0,0|1,0,1]=4 38 B7R0.5 C(CN)[C@@H](C(=O)O)N WX665073 [0,2,0,0,0,0|0,0,0]=2 39 B7R0.14 CCC(=O)C(C)(C)C WX625148 [0,2,0,0,0,0|2,0,0]=4 40 B5R1.2 C1C(=O)CN1 WXC03556 [1,0,0,1,0,0|1,0,0]=3 41 B5R1.2 C1C(=O)CO1 WX625042 [1,0,0,1,0,0|2,0,0]=4 42 B5R1.2 C1C(CN1)O WX604205 [1,0,0,1,0,0|1,0,1]=4 43 B5R1.2 C1C(CO1)N WX604200 [1,0,0,1,0,0|0,0,1]=3 44 B5R1.2 C1CC(C1)O WX642079 [1,0,0,1,0,0|1,0,1]=4 45 B5R1.2 CC1CCN1 WX604557 [1,0,0,1,0,0|1,0,1]=4 46 B5R1.3 C1CC1CO WX640290 [1,0,0,1,0,0|1,0,1]=4 47 B5R1.4 CC1CC1N WX604181 [1,0,0,1,0,0|1,0,1]=4 48 B5R1.4 CC1CC1N WX604564 [1,0,0,1,0,0|1,0,1]=4 49 B5R1.4 C[C@@H]1C[C@H]1N WX601308 [1,0,0,1,0,0|1,0,1]=4 50 B5R1.5 CC1(CC1)N WX600041 [1,0,0,1,0,0|1,0,1]=4 51 B5R1.5 CC1(CC1)N WX604565 [1,0,0,1,0,0|1,0,1]=4 52 B7R1.2 C1C(=CC(=O)O1)Br WXC00644 [0,0,0,1,0,1|1,0,1]=4 53 B7R1.2 C1C(COC1=O)N WXC01359 [0,0,0,1,0,1|0,0,0]=2 54 B7R1.2 C1C[C@@H](C[C@@H]1N)O WX600013 [0,0,0,1,0,1|1,0,1]=4 55 B7R1.2 C1C[C@@H](C[C@H]1N)O WX600233 [0,0,0,1,0,1|1,0,1]=4 56 B7R1.2 C1C[C@H](C[C@@H]1N)O WX600015 [0,0,0,1,0,1|1,0,1]=4 57 B7R1.2 C1C[C@H](C[C@@H]1N)O WX600109 [0,0,0,1,0,1|1,0,1]=4 58 B7R1.2 C1C[C@H](C[C@@H]1N)O WX600355 [0,0,0,1,0,1|1,0,1]=4 59 B7R1.2 C1C[C@H](C[C@H]1N)O WX600108 [0,0,0,1,0,1|1,0,1]=4 60 B7R1.2 C1C[C@H](C[C@H]1N)O WX600234 [0,0,0,1,0,1|1,0,1]=4 61 B7R1.2 C1[C@@H](CNC1=O)O WX650011 [0,0,0,1,0,1|2,0,0]=4 62 B7R1.2 CC1CC(=O)NC1 WXC00781 [0,0,0,1,0,1|2,0,0]=4 63 B7R1.2 C[C@@H]1C[C@@H](CN1)O WX601206 [0,0,0,1,0,1|1,0,1]=4 64 B7R1.2 C[C@@H]1C[C@H](CN1)O WX601205 [0,0,0,1,0,1|1,0,1]=4 65 B7R1.12 C1[C@H]([C@@H]1F)C(=O)O WX610333 [0,0,0,1,0,1|1,0,0]=3 66 B7R1.12 C1[C@H]([C@H]1F)C(=O)O WX610334 [0,0,0,1,0,1|1,0,0]=3 67 B7R1.12 CC1CC1C(=O)O WX610273 [0,0,0,1,0,1|1,0,0]=3 68 B7R1.12 C[C@H]1C[C@@H]1C(=O)O WX611005 [0,0,0,1,0,1|1,0,0]=3 69 B7R1.16 C1C(CS1(=O)=O)N WX600319 [0,0,0,1,0,1|1,0,1]=4 70 B7R1.4 C1CNC(=O)[C@@H]1N WX604202 [0,1,0,1,0,0|1,0,0]=3 71 B7R1.4 C1CNC(=O)[C@H]1O WX642165 [0,1,0,1,0,0|2,0,0]=4 72 B7R1.4 C1COC(=O)C1N WXC03217 [0,1,0,1,0,0|0,0,0]=2 73 B7R1.4 C1C[C@H]([C@@H](C1)O)N WX604346 [0,1,0,1,0,0|1,0,1]=4 74 B7R1.4 C1[C@@H]([C@H](CO1)O)N WX604241 [0,1,0,1,0,0|0,0,2]=4 75 B7R1.4 C1[C@H]([C@@H](CO1)O)N WX601208 [0,1,0,1,0,0|0,0,2]=4 76 B7R1.4 C1[C@H]([C@H](CO1)F)N WXC03777 [0,1,0,1,0,0|1,0,1]=4 77 B7R1.4 CC1CNCC1O WX642148 [0,1,0,1,0,0|1,0,1]=4 78 B7R1.4 C[C@@H]1[C@@H](CCO1)N WX601243 [0,1,0,1,0,0|1,0,1]=4 79 B7R1.4 C[C@H]1CNC[C@@H]1O WX642072 [0,1,0,1,0,0|1,0,1]=4 80 B7R1.4 C[C@H]1CNC[C@H]1O WX601066 [0,1,0,1,0,0|1,0,1]=4 81 B7R1.19 C1CC1(C(=O)N)N WX600316 [0,1,0,1,0,0|1,0,0]=3 82 B7R1.19 C1CC1(C(=O)O)F WXFC0175 [0,1,0,1,0,0|1,0,0]=3 83 B7R1.19 CC(=O)C1(CC1)F WX625133 [0,1,0,1,0,0|2,0,0]=4 84 B7R1.19 CC1(CC1)C(=O)O WX610274 [0,1,0,1,0,0|1,0,0]=3 85 B7R1.22 CCC(=O)C1CC1 WX625032 [0,1,0,1,0,0|2,0,0]=4