0 B22R1.531355 CCCCCCCOc1ccc(cc1)CNC(C)(CC)CO 207a_100000747662_100000189358 [0,0,0,0,0,0|4,0,0]=4 1 B22R1.531355 CCCCCCCOc1ccc(cc1)CNC(C)(CO)CO 207a_100000764395_100000189358 [0,0,0,0,0,0|3,0,0]=3 2 B21R1.19008 CCCCCCCCc1ccc(cc1)CCN(CC)CC 2230a_100000724800_100016989816 [1,0,0,0,0,0|3,0,0]=4 3 B21R1.19008 CCCCCCCCc1ccc(cc1)CCN(CC)CC 269956a_100000042499_100016989816 [1,0,0,0,0,0|3,0,0]=4 4 B21R1.19008 CCCCCCCCc1ccc(cc1)CCN(CC)CC 269982a_100000724800_100016989816 [1,0,0,0,0,0|3,0,0]=4 5 B21R1.19008 CCCCCCCCc1ccc(cc1)CNC(CC)CC 270004a_200010007124_100000210860 [1,0,0,0,0,0|3,0,0]=4 6 B21R1.19008 CCCCCCCOc1ccc(cc1)CNC(CO)CO 207a_100000759517_100000189358 [1,0,0,0,0,0|2,0,0]=3 7 B21R1.19008 CCCCCCCOc1ccc(cc1)CN[C@@H](CC)CO 207a_100000709445_100000189358 [1,0,0,0,0,0|3,0,0]=4 8 B21R1.19008 CCCCCCCOc1ccc(cc1)CN[C@@H](CC)CO 270004a_100000709445_100000189358 [1,0,0,0,0,0|3,0,0]=4 9 B21R1.397607 CCCCCCCCc1ccc(cc1)NCC(C)(C)CO 34a_100000032498_100009813988 [1,0,0,0,0,0|2,0,0]=3 10 B21R1.397607 CCCCCCCCc1ccc(cc1)NCC(C)(C)CO 7a_100000032498_100009813988 [1,0,0,0,0,0|2,0,0]=3 11 B21R1.397607 CCCCCCCCc1ccc(cc1)OCC(C)(C)CO 34a_100000011237_100009813988 [1,0,0,0,0,0|2,0,0]=3 12 B21R1.397607 CCCCCCCCc1ccc(cc1)OCC(C)(C)CO 7a_100000011237_100009813988 [1,0,0,0,0,0|2,0,0]=3 13 B21R1.397607 CCCCCCCCc1ccc(cc1)SCC(C)(C)CO 62a_100009813988_100009813488 [1,0,0,0,0,0|2,0,0]=3 14 B21R1.397607 CCCCCCCOc1ccc(cc1)CNC(C)(C)CO 207a_100000210608_100000189358 [1,0,0,0,0,0|3,0,0]=4 15 B21R1.397607 CCCCCCCOc1ccc(cc1)CNC(C)(C)CO 270004a_100000210608_100000189358 [1,0,0,0,0,0|3,0,0]=4 16 B21R1.397607 CCCCCCCOc1ccc(cc1)NCC(C)(C)CO 34a_200000216325_100009813988 [1,0,0,0,0,0|3,0,0]=4 17 B21R1.397607 CCCCCCCOc1ccc(cc1)NCC(C)(C)CO 7a_200000216325_100009813988 [1,0,0,0,0,0|3,0,0]=4 18 B21R1.397607 CCCCCCCOc1ccc(cc1)OCC(C)(C)CO 34a_200011215324_100009813988 [1,0,0,0,0,0|3,0,0]=4 19 B21R1.397607 CCCCCCCOc1ccc(cc1)OCC(C)(C)CO 7a_200011215324_100009813988 [1,0,0,0,0,0|3,0,0]=4 20 B21R1.1156316 CCCCCCCc1ccc(cc1)CNC(C)(CC)CO 207a_100000747662_100009998032 [1,0,0,0,0,0|3,0,0]=4 21 B21R1.1156316 CCCCCCCc1ccc(cc1)CNC(C)(CO)CO 207a_100000764395_100009998032 [1,0,0,0,0,0|2,0,0]=3 22 B21R1.1156316 CCCCCCOc1ccc(cc1)CNC(C)(CO)CO 207a_100000764395_100000182703 [1,0,0,0,0,0|3,0,0]=4 23 B23R1.653871 CCCCCCCCOc1ccc(cc1)CNC(C)(CC)CO 207a_100000747662_100000261162 [0,1,0,0,0,0|3,0,0]=4 24 B23R1.653871 CCCCCCCCOc1ccc(cc1)CNC(C)(CO)CO 207a_100000764395_100000261162 [0,1,0,0,0,0|2,0,0]=3 25 B23R1.670352 CCCCCCCCc1ccc(cc1)C(=O)NC(C)(CO)CO 240690a_100000764395_100000093814 [0,1,0,0,0,0|2,0,1]=4 26 B23R1.670352 CCCCCCCCc1ccc(cc1)C(=O)NC(C)(CO)CO 527a_100000764395_100000093814 [0,1,0,0,0,0|2,0,1]=4 27 B23R1.670565 CCCCCCCCc1ccc(cc1)NC(=O)C(C)(CO)CO 22a_100000032498_100000693232 [0,1,0,0,0,0|2,0,1]=4 28 B23R1.2174821 CCCCCCCCc1ccc(cc1)CCC(CO)(CO)NC 2230a_100000069862_200000210301 [0,1,0,0,0,0|0,0,0]=1 29 B23R1.2174821 CCCCCCCCc1ccc(cc1)CCC(CO)(CO)NC 34a_100000069862_200000210301 [0,1,0,0,0,0|0,0,0]=1 30 B23R1.2174821 CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N[13CH3] 2230a_100000069862_200025704644 [0,1,0,0,0,0|0,0,0]=1 31 B23R1.2174821 CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N[13CH3] 34a_100000069862_200025704644 [0,1,0,0,0,0|0,0,0]=1 32 B23R1.2174821 CCCCCCCCc1ccc(cc1)NCC(CO)(CO)CO 34a_100000032498_100009813351 [0,1,0,0,0,0|2,0,0]=3 33 B23R1.2174821 CCCCCCCCc1ccc(cc1)NCC(CO)(CO)CO 7a_100000032498_100009813351 [0,1,0,0,0,0|2,0,0]=3 34 B23R1.2174821 CCCCCCCCc1ccc(cc1)OCC(CO)(CO)CO 34a_100000011237_100009813351 [0,1,0,0,0,0|2,0,0]=3 35 B23R1.2174821 CCCCCCCCc1ccc(cc1)OCC(CO)(CO)CO 7a_100000011237_100009813351 [0,1,0,0,0,0|2,0,0]=3 36 B23R1.2174821 CCCCCCCCc1ccc(cc1)SCC(CO)(CO)CO 62a_100009813351_100009813488 [0,1,0,0,0,0|2,0,0]=3 37 B23R1.2174821 CCCCCCCOc1ccc(cc1)CNC(CC)(CO)CO 207a_100000211560_100000189358 [0,1,0,0,0,0|3,0,0]=4 38 B23R1.2174821 CCCCCCCOc1ccc(cc1)CNC(CO)(CO)CO 207a_100000212283_100000189358 [0,1,0,0,0,0|3,0,0]=4 39 B23R1.2174821 CCCCCCCOc1ccc(cc1)NCC(CO)(CO)CO 34a_200000216325_100009813351 [0,1,0,0,0,0|3,0,0]=4 40 B23R1.2174821 CCCCCCCOc1ccc(cc1)NCC(CO)(CO)CO 7a_200000216325_100009813351 [0,1,0,0,0,0|3,0,0]=4 41 B23R1.2174821 CCCCCCCOc1ccc(cc1)OCC(CO)(CO)CO 34a_200011215324_100009813351 [0,1,0,0,0,0|3,0,0]=4 42 B23R1.2174821 CCCCCCCOc1ccc(cc1)OCC(CO)(CO)CO 7a_200011215324_100009813351 [0,1,0,0,0,0|3,0,0]=4 43 B23R2.1031970 CC(CO)(CO)NCc1ccc(cc1)OCC2CCCCC2 207a_100000764395_100000191186 [0,0,0,1,0,0|3,0,0]=4 44 B23R2.36867764 CCCCCCCCc1ccc(cc1)NCC2(COC2)CC 2230a_100000032498_200009907690 [0,0,0,1,0,0|3,0,0]=4 45 B23R2.36867764 CCCCCCCCc1ccc(cc1)NCC2(COC2)CC 34a_100000032498_200009907690 [0,0,0,1,0,0|3,0,0]=4 46 B23R2.36867764 CCCCCCCCc1ccc(cc1)NCC2(COC2)CC 7a_100000032498_200009907690 [0,0,0,1,0,0|3,0,0]=4 47 B23R2.36867764 CCCCCCCCc1ccc(cc1)NCC2(COC2)CO 2230a_100000032498_100000685550 [0,0,0,1,0,0|2,0,0]=3 48 B23R2.36867764 CCCCCCCCc1ccc(cc1)NCC2(COC2)CO 34a_100000032498_100000685550 [0,0,0,1,0,0|2,0,0]=3 49 B23R2.36867764 CCCCCCCCc1ccc(cc1)NCC2(COC2)CO 7a_100000032498_100000685550 [0,0,0,1,0,0|2,0,0]=3 50 B23R2.36867764 CCCCCCCCc1ccc(cc1)OCC2(COC2)CC 34a_100000011237_200009907690 [0,0,0,1,0,0|3,0,0]=4 51 B23R2.36867764 CCCCCCCCc1ccc(cc1)OCC2(COC2)CC 7a_100000011237_200009907690 [0,0,0,1,0,0|3,0,0]=4 52 B23R2.36867764 CCCCCCCCc1ccc(cc1)OCC2(COC2)CO 34a_100000011237_100000685550 [0,0,0,1,0,0|2,0,0]=3 53 B23R2.36867764 CCCCCCCCc1ccc(cc1)OCC2(COC2)CO 7a_100000011237_100000685550 [0,0,0,1,0,0|2,0,0]=3 54 B23R2.36867764 CCCCCCCCc1ccc(cc1)SCC2(COC2)CO 62a_100000685550_100009813488 [0,0,0,1,0,0|2,0,0]=3 55 B23R2.36867764 CCCCCCCOc1ccc(cc1)CNC2(COC2)CO 207a_100010290435_100000189358 [0,0,0,1,0,0|3,0,0]=4 56 B23R2.36867764 CCCCCCCOc1ccc(cc1)CNC2(COC2)CO 270004a_100010290435_100000189358 [0,0,0,1,0,0|3,0,0]=4 57 B23R2.36867764 CCCCCCCOc1ccc(cc1)NCC2(COC2)CO 2230a_200000216325_100000685550 [0,0,0,1,0,0|3,0,0]=4 58 B23R2.36867764 CCCCCCCOc1ccc(cc1)NCC2(COC2)CO 34a_200000216325_100000685550 [0,0,0,1,0,0|3,0,0]=4 59 B23R2.36867764 CCCCCCCOc1ccc(cc1)NCC2(COC2)CO 7a_200000216325_100000685550 [0,0,0,1,0,0|3,0,0]=4 60 B23R2.36867764 CCCCCCCOc1ccc(cc1)OCC2(COC2)CO 34a_200011215324_100000685550 [0,0,0,1,0,0|3,0,0]=4 61 B23R2.36867764 CCCCCCCOc1ccc(cc1)OCC2(COC2)CO 7a_200011215324_100000685550 [0,0,0,1,0,0|3,0,0]=4 62 B20R1.676 CCCCCCCCc1ccc(cc1)CCC(=O)CO 1458a_100000210174_100016989816 [2,0,0,0,0,0|0,0,2]=4 63 B20R1.676 CCCCCCCCc1ccc(cc1)CCN(C)CC 2230a_100000225621_100016989816 [2,0,0,0,0,0|2,0,0]=4 64 B20R1.676 CCCCCCCCc1ccc(cc1)CCN(C)CC 269982a_100000225621_100016989816 [2,0,0,0,0,0|2,0,0]=4 65 B20R1.676 CCCCCCCCc1ccc(cc1)CNC(C)CC 2230a_200010007124_100000758301 [2,0,0,0,0,0|2,0,0]=4 66 B20R1.676 CCCCCCCCc1ccc(cc1)CNC(C)CC 34a_200010007124_100011215416 [2,0,0,0,0,0|2,0,0]=4 67 B20R1.676 CCCCCCCCc1ccc(cc1)CNC(C)CO 2230a_200010007124_100012180447 [2,0,0,0,0,0|1,0,0]=3 68 B20R1.676 CCCCCCCCc1ccc(cc1)CNC(C)CO 34a_200010007124_100012180447 [2,0,0,0,0,0|1,0,0]=3 69 B20R1.676 CCCCCCCCc1ccc(cc1)NCC(O)CC 2230a_100000032498_100011218378 [2,0,0,0,0,0|2,0,0]=4 70 B20R1.676 CCCCCCCCc1ccc(cc1)NCC(O)CC 34a_100000032498_100011218378 [2,0,0,0,0,0|2,0,0]=4 71 B20R1.676 CCCCCCCCc1ccc(cc1)NCC(O)CC 7a_100000032498_100011218378 [2,0,0,0,0,0|2,0,0]=4 72 B20R1.676 CCCCCCCCc1ccc(cc1)NCC(O)CO 2230a_100000032498_100011219619 [2,0,0,0,0,0|1,0,0]=3 73 B20R1.676 CCCCCCCCc1ccc(cc1)NCC(O)CO 34a_100000032498_100011219619 [2,0,0,0,0,0|1,0,0]=3 74 B20R1.676 CCCCCCCCc1ccc(cc1)NCC(O)CO 7a_100000032498_100011219619 [2,0,0,0,0,0|1,0,0]=3 75 B20R1.676 CCCCCCCCc1ccc(cc1)NC[C@@H](C)CO 2230a_100000032498_100000059175 [2,0,0,0,0,0|1,0,0]=3 76 B20R1.676 CCCCCCCCc1ccc(cc1)NC[C@@H](C)CO 34a_100000032498_100000059175 [2,0,0,0,0,0|1,0,0]=3 77 B20R1.676 CCCCCCCCc1ccc(cc1)NC[C@@H](C)CO 7a_100000032498_100000059175 [2,0,0,0,0,0|1,0,0]=3 78 B20R1.676 CCCCCCCCc1ccc(cc1)NC[C@@H](O)CF 2230a_100000032498_100015614560 [2,0,0,0,0,0|2,0,0]=4 79 B20R1.676 CCCCCCCCc1ccc(cc1)NC[C@@H](O)CF 34a_100000032498_100015614560 [2,0,0,0,0,0|2,0,0]=4 80 B20R1.676 CCCCCCCCc1ccc(cc1)NC[C@@H](O)CF 7a_100000032498_100015614560 [2,0,0,0,0,0|2,0,0]=4 81 B20R1.676 CCCCCCCCc1ccc(cc1)NC[C@@H](O)CO 2230a_100000032498_100009815848 [2,0,0,0,0,0|1,0,0]=3 82 B20R1.676 CCCCCCCCc1ccc(cc1)NC[C@@H](O)CO 34a_100000032498_100009815848 [2,0,0,0,0,0|1,0,0]=3 83 B20R1.676 CCCCCCCCc1ccc(cc1)NC[C@@H](O)CO 7a_100000032498_100009815848 [2,0,0,0,0,0|1,0,0]=3 84 B20R1.676 CCCCCCCCc1ccc(cc1)OCC(O)CC 34a_100000011237_100011218378 [2,0,0,0,0,0|2,0,0]=4 85 B20R1.676 CCCCCCCCc1ccc(cc1)OCC(O)CC 7a_100000011237_100011218378 [2,0,0,0,0,0|2,0,0]=4 86 B20R1.676 CCCCCCCCc1ccc(cc1)OCC(O)CO 34a_100000011237_100011219619 [2,0,0,0,0,0|1,0,0]=3 87 B20R1.676 CCCCCCCCc1ccc(cc1)OCC(O)CO 7a_100000011237_100011219619 [2,0,0,0,0,0|1,0,0]=3 88 B20R1.676 CCCCCCCCc1ccc(cc1)OC[C@@H](C)CO 34a_100000011237_100000059175 [2,0,0,0,0,0|1,0,0]=3 89 B20R1.676 CCCCCCCCc1ccc(cc1)OC[C@@H](C)CO 7a_100000011237_100000059175 [2,0,0,0,0,0|1,0,0]=3 90 B20R1.676 CCCCCCCCc1ccc(cc1)OC[C@@H](O)CF 34a_100000011237_100015614560 [2,0,0,0,0,0|2,0,0]=4 91 B20R1.676 CCCCCCCCc1ccc(cc1)OC[C@@H](O)CF 7a_100000011237_100015614560 [2,0,0,0,0,0|2,0,0]=4 92 B20R1.676 CCCCCCCCc1ccc(cc1)OC[C@@H](O)CO 34a_100000011237_100009815848 [2,0,0,0,0,0|1,0,0]=3 93 B20R1.676 CCCCCCCCc1ccc(cc1)OC[C@@H](O)CO 7a_100000011237_100009815848 [2,0,0,0,0,0|1,0,0]=3 94 B20R1.676 CCCCCCCCc1ccc(cc1)SCC(O)CC 62a_100011218378_100009813488 [2,0,0,0,0,0|2,0,0]=4 95 B20R1.676 CCCCCCCCc1ccc(cc1)SCC(O)CO 62a_100011219619_100009813488 [2,0,0,0,0,0|1,0,0]=3 96 B20R1.676 CCCCCCCCc1ccc(cc1)SC[C@@H](C)CO 62a_100000059175_100009813488 [2,0,0,0,0,0|1,0,0]=3 97 B20R1.676 CCCCCCCCc1ccc(cc1)SC[C@@H](O)CF 62a_100015614560_100009813488 [2,0,0,0,0,0|2,0,0]=4 98 B20R1.676 CCCCCCCCc1ccc(cc1)SC[C@@H](O)CO 62a_100009815848_100009813488 [2,0,0,0,0,0|1,0,0]=3 99 B20R1.676 CCCCCCCOc1ccc(cc1)CN[C@H](C)CO 207a_100000737577_100000189358 [2,0,0,0,0,0|2,0,0]=4 100 B20R1.676 CCCCCCCOc1ccc(cc1)CN[C@H](C)CO 270004a_100000737577_100000189358 [2,0,0,0,0,0|2,0,0]=4 101 B20R1.676 CCCCCCCOc1ccc(cc1)NCC(O)CO 2230a_200000216325_100011219619 [2,0,0,0,0,0|2,0,0]=4 102 B20R1.676 CCCCCCCOc1ccc(cc1)NCC(O)CO 34a_200000216325_100011219619 [2,0,0,0,0,0|2,0,0]=4 103 B20R1.676 CCCCCCCOc1ccc(cc1)NCC(O)CO 7a_200000216325_100011219619 [2,0,0,0,0,0|2,0,0]=4 104 B20R1.676 CCCCCCCOc1ccc(cc1)NC[C@@H](C)CO 2230a_200000216325_100000059175 [2,0,0,0,0,0|2,0,0]=4 105 B20R1.676 CCCCCCCOc1ccc(cc1)NC[C@@H](C)CO 34a_200000216325_100000059175 [2,0,0,0,0,0|2,0,0]=4 106 B20R1.676 CCCCCCCOc1ccc(cc1)NC[C@@H](C)CO 7a_200000216325_100000059175 [2,0,0,0,0,0|2,0,0]=4 107 B20R1.676 CCCCCCCOc1ccc(cc1)NC[C@@H](O)CO 2230a_200000216325_100009815848 [2,0,0,0,0,0|2,0,0]=4 108 B20R1.676 CCCCCCCOc1ccc(cc1)NC[C@@H](O)CO 34a_200000216325_100009815848 [2,0,0,0,0,0|2,0,0]=4 109 B20R1.676 CCCCCCCOc1ccc(cc1)NC[C@@H](O)CO 7a_200000216325_100009815848 [2,0,0,0,0,0|2,0,0]=4 110 B20R1.676 CCCCCCCOc1ccc(cc1)OCC(O)CO 34a_200011215324_100011219619 [2,0,0,0,0,0|2,0,0]=4 111 B20R1.676 CCCCCCCOc1ccc(cc1)OCC(O)CO 7a_200011215324_100011219619 [2,0,0,0,0,0|2,0,0]=4 112 B20R1.676 CCCCCCCOc1ccc(cc1)OC[C@@H](C)CO 34a_200011215324_100000059175 [2,0,0,0,0,0|2,0,0]=4 113 B20R1.676 CCCCCCCOc1ccc(cc1)OC[C@@H](C)CO 7a_200011215324_100000059175 [2,0,0,0,0,0|2,0,0]=4 114 B20R1.676 CCCCCCCOc1ccc(cc1)OC[C@@H](O)CO 34a_200011215324_100009815848 [2,0,0,0,0,0|2,0,0]=4 115 B20R1.676 CCCCCCCOc1ccc(cc1)OC[C@@H](O)CO 7a_200011215324_100009815848 [2,0,0,0,0,0|2,0,0]=4 116 B20R1.67156 CCCCCCCc1ccc(cc1)CNC(CO)CO 207a_100000759517_100009998032 [2,0,0,0,0,0|1,0,0]=3 117 B20R1.67156 CCCCCCCc1ccc(cc1)CN[C@@H](CC)CO 207a_100000709445_100009998032 [2,0,0,0,0,0|2,0,0]=4 118 B20R1.67156 CCCCCCCc1ccc(cc1)CN[C@@H](CC)CO 270004a_100000709445_100009998032 [2,0,0,0,0,0|2,0,0]=4 119 B20R1.67156 CCCCCCOc1ccc(cc1)CNC(CO)CO 207a_100000759517_100000182703 [2,0,0,0,0,0|2,0,0]=4 120 B20R1.17621 CCCCCCCCc1ccc(cc1)CNC(C)(C)C 34a_200010007124_100000210625 [2,0,0,0,0,0|2,0,0]=4 121 B20R1.17621 CCCCCCCCc1ccc(cc1)NCC(C)(C)F 34a_100000032498_100011997219 [2,0,0,0,0,0|2,0,0]=4 122 B20R1.17621 CCCCCCCCc1ccc(cc1)NCC(C)(C)O 34a_100000032498_100000764493 [2,0,0,0,0,0|2,0,0]=4 123 B20R1.17621 CCCCCCCCc1ccc(cc1)NCC(C)(C)O 7a_100000032498_100000764493 [2,0,0,0,0,0|2,0,0]=4 124 B20R1.17621 CCCCCCCCc1ccc(cc1)OCC(C)(C)F 34a_100000011237_100011997219 [2,0,0,0,0,0|2,0,0]=4 125 B20R1.17621 CCCCCCCCc1ccc(cc1)OCC(C)(C)O 34a_100000011237_100000764493 [2,0,0,0,0,0|2,0,0]=4 126 B20R1.17621 CCCCCCCCc1ccc(cc1)OCC(C)(C)O 7a_100000011237_100000764493 [2,0,0,0,0,0|2,0,0]=4 127 B20R1.17621 CCCCCCCCc1ccc(cc1)SCC(C)(C)O 62a_100000764493_100009813488 [2,0,0,0,0,0|2,0,0]=4 128 B20R1.773108 CCCCCCCc1ccc(cc1)CNC(C)(C)CO 207a_100000210608_100009998032 [2,0,0,0,0,0|2,0,0]=4 129 B20R1.773108 CCCCCCCc1ccc(cc1)CNC(C)(C)CO 270004a_100000210608_100009998032 [2,0,0,0,0,0|2,0,0]=4 130 B20R1.773108 CCCCCCCc1ccc(cc1)NCC(C)(C)CO 34a_200000032916_100009813988 [2,0,0,0,0,0|2,0,0]=4 131 B20R1.773108 CCCCCCCc1ccc(cc1)NCC(C)(C)CO 7a_200000032916_100009813988 [2,0,0,0,0,0|2,0,0]=4 132 B20R1.773108 CCCCCCCc1ccc(cc1)OCC(C)(C)CO 34a_100000036509_100009813988 [2,0,0,0,0,0|2,0,0]=4 133 B20R1.773108 CCCCCCCc1ccc(cc1)OCC(C)(C)CO 7a_100000036509_100009813988 [2,0,0,0,0,0|2,0,0]=4 134 B20R1.773108 CCCCCCCc1ccc(cc1)SCC(C)(C)CO 62a_100009813667_100009813988 [2,0,0,0,0,0|2,0,0]=4 135 B20R1.773108 CCCCCCCc1ccc(cc1)SCC(C)(C)CO 62a_100009813988_100009813667 [2,0,0,0,0,0|2,0,0]=4 136 B22R1.18019 CCCCCCCCOc1ccc(cc1)CNC(CO)CO 207a_100000759517_100000261162 [1,1,0,0,0,0|1,0,0]=3 137 B22R1.18019 CCCCCCCCOc1ccc(cc1)CN[C@@H](CC)CO 207a_100000709445_100000261162 [1,1,0,0,0,0|2,0,0]=4 138 B22R1.18019 CCCCCCCCOc1ccc(cc1)CN[C@@H](CC)CO 270004a_100000709445_100000261162 [1,1,0,0,0,0|2,0,0]=4 139 B22R1.19596 CCCCCCCCc1ccc(cc1)C(=O)NC(CO)CO 240690a_100000759517_100000093814 [1,1,0,0,0,0|1,0,1]=4 140 B22R1.19596 CCCCCCCCc1ccc(cc1)C(=O)NC(CO)CO 527a_100000759517_100000093814 [1,1,0,0,0,0|1,0,1]=4 141 B22R1.19596 CCCCCCCCc1ccc(cc1)C(C)N[C@@H](CC)CO 269862a_100000709445_100000012613 [1,1,0,0,0,0|2,0,0]=4 142 B22R1.19754 CCCCCCCOc1ccc(cc1)CN[C@H](CO)[C@@H](C)O 207a_100015196842_100000189358 [1,1,0,0,0,0|2,0,0]=4 143 B22R1.78895 CCCCCCCCc1ccc(cc1)CCN(CC)CCO 2230a_100000210973_100016989816 [1,1,0,0,0,0|2,0,0]=4 144 B22R1.78895 CCCCCCCCc1ccc(cc1)CCN(CC)CCO 269982a_100000210973_100016989816 [1,1,0,0,0,0|2,0,0]=4 145 B22R1.78895 CCCCCCCCc1ccc(cc1)CNC(CC)COC 270004a_200010007124_100000757811 [1,1,0,0,0,0|2,0,0]=4 146 B22R1.78895 CCCCCCCOc1ccc(cc1)CNC(CO)COC 207a_100000724102_100000189358 [1,1,0,0,0,0|2,0,0]=4 147 B22R1.78895 CCCCCCCOc1ccc(cc1)CNC(CO)COC 270004a_100000724102_100000189358 [1,1,0,0,0,0|2,0,0]=4 148 B22R1.522180 CCCCCCCCCc1ccc(cc1)NCC(C)(C)CO 34a_200009991369_100009813988 [1,1,0,0,0,0|2,0,0]=4 149 B22R1.522180 CCCCCCCCCc1ccc(cc1)NCC(C)(C)CO 7a_200009991369_100009813988 [1,1,0,0,0,0|2,0,0]=4 150 B22R1.522180 CCCCCCCCCc1ccc(cc1)OCC(C)(C)CO 34a_200000038864_100009813988 [1,1,0,0,0,0|2,0,0]=4 151 B22R1.522180 CCCCCCCCCc1ccc(cc1)OCC(C)(C)CO 7a_200000038864_100009813988 [1,1,0,0,0,0|2,0,0]=4 152 B22R1.522180 CCCCCCCCOc1ccc(cc1)CNC(C)(C)CO 207a_100000210608_100000261162 [1,1,0,0,0,0|2,0,0]=4 153 B22R1.522180 CCCCCCCCOc1ccc(cc1)CNC(C)(C)CO 270004a_100000210608_100000261162 [1,1,0,0,0,0|2,0,0]=4 154 B22R1.522180 CCCCCCCCOc1ccc(cc1)NCC(C)(C)CO 34a_200000292040_100009813988 [1,1,0,0,0,0|2,0,0]=4 155 B22R1.522180 CCCCCCCCOc1ccc(cc1)NCC(C)(C)CO 7a_200000292040_100009813988 [1,1,0,0,0,0|2,0,0]=4 156 B22R1.522180 CCCCCCCCOc1ccc(cc1)OCC(C)(C)CO 34a_100000261350_100009813988 [1,1,0,0,0,0|2,0,0]=4 157 B22R1.522180 CCCCCCCCOc1ccc(cc1)OCC(C)(C)CO 7a_100000261350_100009813988 [1,1,0,0,0,0|2,0,0]=4 158 B22R1.522180 CCCCCCCCOc1ccc(cc1)SCC(C)(C)CO 62a_100009813988_100103168737 [1,1,0,0,0,0|2,0,0]=4 159 B22R1.1400535 CCCCCCCc1ccc(cc1)CNC(CC)(CO)CO 207a_100000211560_100009998032 [1,1,0,0,0,0|2,0,0]=4 160 B22R1.1400535 CCCCCCCc1ccc(cc1)CNC(CO)(CO)CO 207a_100000212283_100009998032 [1,1,0,0,0,0|2,0,0]=4 161 B22R1.1400535 CCCCCCCc1ccc(cc1)NCC(CO)(CO)CO 34a_200000032916_100009813351 [1,1,0,0,0,0|2,0,0]=4 162 B22R1.1400535 CCCCCCCc1ccc(cc1)NCC(CO)(CO)CO 7a_200000032916_100009813351 [1,1,0,0,0,0|2,0,0]=4 163 B22R1.1400535 CCCCCCCc1ccc(cc1)OCC(CO)(CO)CO 34a_100000036509_100009813351 [1,1,0,0,0,0|2,0,0]=4 164 B22R1.1400535 CCCCCCCc1ccc(cc1)OCC(CO)(CO)CO 7a_100000036509_100009813351 [1,1,0,0,0,0|2,0,0]=4 165 B22R1.1400535 CCCCCCCc1ccc(cc1)SCC(CO)(CO)CO 62a_100009813351_100009813667 [1,1,0,0,0,0|2,0,0]=4 166 B22R1.1400535 CCCCCCCc1ccc(cc1)SCC(CO)(CO)CO 62a_100009813667_100009813351 [1,1,0,0,0,0|2,0,0]=4 167 B24R1.1909747 CCCCCCCCc1ccc(cc1)CNCC(CO)(CO)CO 34a_200010007124_100009813351 [0,1,0,0,0,1|1,0,0]=3 168 B24R1.3494035 CCCCCCCCc1ccc(cc1)CCC(=O)C(C)(CO)CO 1458a_100000693232_100016989816 [0,1,0,0,0,1|1,0,0]=3 169 B24R1.3494035 CCCCCCCCc1ccc(cc1)CNC(=O)C(C)(CO)CO 240690a_200010007124_100000693232 [0,1,0,0,0,1|1,0,1]=4 170 B24R1.3465516 CCCCCCCCCc1ccc(cc1)NCC(CO)(CO)CO 34a_200009991369_100009813351 [0,2,0,0,0,0|2,0,0]=4 171 B24R1.3465516 CCCCCCCCCc1ccc(cc1)NCC(CO)(CO)CO 7a_200009991369_100009813351 [0,2,0,0,0,0|2,0,0]=4 172 B24R1.3465516 CCCCCCCCCc1ccc(cc1)OCC(CO)(CO)CO 34a_200000038864_100009813351 [0,2,0,0,0,0|2,0,0]=4 173 B24R1.3465516 CCCCCCCCCc1ccc(cc1)OCC(CO)(CO)CO 7a_200000038864_100009813351 [0,2,0,0,0,0|2,0,0]=4 174 B24R1.3465516 CCCCCCCCCc1ccc(cc1)SCC(CO)(CO)CO 62a_100009813351_100009813833 [0,2,0,0,0,0|2,0,0]=4 175 B24R1.3465516 CCCCCCCCOc1ccc(cc1)CNC(CC)(CO)CO 207a_100000211560_100000261162 [0,2,0,0,0,0|2,0,0]=4 176 B24R1.3465516 CCCCCCCCOc1ccc(cc1)CNC(CO)(CO)CO 207a_100000212283_100000261162 [0,2,0,0,0,0|2,0,0]=4 177 B24R1.3465516 CCCCCCCCOc1ccc(cc1)NCC(CO)(CO)CO 34a_200000292040_100009813351 [0,2,0,0,0,0|2,0,0]=4 178 B24R1.3465516 CCCCCCCCOc1ccc(cc1)NCC(CO)(CO)CO 7a_200000292040_100009813351 [0,2,0,0,0,0|2,0,0]=4 179 B24R1.3465516 CCCCCCCCOc1ccc(cc1)OCC(CO)(CO)CO 34a_100000261350_100009813351 [0,2,0,0,0,0|2,0,0]=4 180 B24R1.3465516 CCCCCCCCOc1ccc(cc1)OCC(CO)(CO)CO 7a_100000261350_100009813351 [0,2,0,0,0,0|2,0,0]=4 181 B24R1.3465516 CCCCCCCCOc1ccc(cc1)SCC(CO)(CO)CO 62a_100009813351_100103168737 [0,2,0,0,0,0|2,0,0]=4 182 B24R1.10096602 CCCCCCCCCOc1ccc(cc1)CNC(C)(CO)CO 207a_100000764395_200000596323 [0,2,0,0,0,0|2,0,0]=4 183 B24R1.13608439 CCCCCCCCc1ccc(cc1)C(=O)CC(CO)(CO)CO 1458a_100000093814_100009813351 [0,2,0,0,0,0|1,0,1]=4 184 B24R1.1909741 CCCCCCCCc1ccc(cc1)CNC(CO)(CO)[N+](=O)[O-] 34a_200010007124_100009813326 [0,2,0,0,0,0|1,0,1]=4 185 B24R1.1909743 CCCCCCCCc1ccc(cc1)CCC(CO)(CO)NCC 2230a_100000069862_100000210202 [0,2,0,0,0,0|0,0,0]=2 186 B24R1.1909743 CCCCCCCCc1ccc(cc1)CCC(CO)(CO)NCC 34a_100000069862_100000210202 [0,2,0,0,0,0|0,0,0]=2 187 B24R1.1909743 CCCCCCCCc1ccc(cc1)CCC(CO)(CO)NCF 34a_100000069862_100015361967 [0,2,0,0,0,0|0,0,0]=2 188 B22R2.8642 CCCCCCCCc1ccc(cc1)CNC2CCOC2 2230a_200010007124_100000731011 [1,0,0,1,0,0|2,0,0]=4 189 B22R2.8642 CCCCCCCCc1ccc(cc1)CNC2CCOC2 270004a_200010007124_100000752484 [1,0,0,1,0,0|2,0,0]=4 190 B22R2.8642 CCCCCCCCc1ccc(cc1)CNC2CCOC2 34a_200010007124_100000690089 [1,0,0,1,0,0|2,0,0]=4 191 B22R2.8642 CCCCCCCCc1ccc(cc1)NCC2CCOC2 2230a_100000032498_100000702531 [1,0,0,1,0,0|2,0,0]=4 192 B22R2.8642 CCCCCCCCc1ccc(cc1)NCC2CCOC2 34a_100000032498_100011261433 [1,0,0,1,0,0|2,0,0]=4 193 B22R2.8642 CCCCCCCCc1ccc(cc1)NCC2CCOC2 7a_100000032498_100000702531 [1,0,0,1,0,0|2,0,0]=4 194 B22R2.8642 CCCCCCCCc1ccc(cc1)OCC2CCOC2 34a_100000011237_100011261433 [1,0,0,1,0,0|2,0,0]=4 195 B22R2.8642 CCCCCCCCc1ccc(cc1)OCC2CCOC2 7a_100000011237_100000702531 [1,0,0,1,0,0|2,0,0]=4 196 B22R2.8642 CCCCCCCCc1ccc(cc1)SCC2CCOC2 62a_100000702531_100009813488 [1,0,0,1,0,0|2,0,0]=4 197 B22R2.14535 OCC(CO)NCc1ccc(cc1)OCC2CCCCC2 207a_100000759517_100000191186 [1,0,0,1,0,0|2,0,0]=4 198 B22R2.4392877 CCCCCCCCc1ccc(cc1)NCC2(CO2)CC 34a_100000032498_200000139556 [1,0,0,1,0,0|2,0,0]=4 199 B22R2.4392877 CCCCCCCCc1ccc(cc1)NCC2(CO2)CC 7a_100000032498_200000139556 [1,0,0,1,0,0|2,0,0]=4 200 B22R2.4392877 CCCCCCCCc1ccc(cc1)OCC2(CO2)CC 34a_100000011237_200000139556 [1,0,0,1,0,0|2,0,0]=4 201 B22R2.4392877 CCCCCCCCc1ccc(cc1)OCC2(CO2)CC 7a_100000011237_200000139556 [1,0,0,1,0,0|2,0,0]=4 202 B22R2.4392877 CCCCCCCCc1ccc(cc1)SCC2(CO2)CC 62a_200000139556_100009813488 [1,0,0,1,0,0|2,0,0]=4 203 B22R2.4392892 CCCCCCCCc1ccc(cc1)NCC2(COC2)C 2230a_100000032498_100000066812 [1,0,0,1,0,0|2,0,0]=4 204 B22R2.4392892 CCCCCCCCc1ccc(cc1)NCC2(COC2)C 34a_100000032498_100009817586 [1,0,0,1,0,0|2,0,0]=4 205 B22R2.4392892 CCCCCCCCc1ccc(cc1)NCC2(COC2)C 7a_100000032498_100009817586 [1,0,0,1,0,0|2,0,0]=4 206 B22R2.4392892 CCCCCCCCc1ccc(cc1)OCC2(COC2)C 34a_100000011237_100009817586 [1,0,0,1,0,0|2,0,0]=4 207 B22R2.4392892 CCCCCCCCc1ccc(cc1)OCC2(COC2)C 7a_100000011237_100009817586 [1,0,0,1,0,0|2,0,0]=4 208 B22R2.4392892 CCCCCCCCc1ccc(cc1)SCC2(COC2)C 62a_100009817586_100009813488 [1,0,0,1,0,0|2,0,0]=4 209 B22R2.55732139 CCCCCCCc1ccc(cc1)CNC2(COC2)CO 207a_100010290435_100009998032 [1,0,0,1,0,0|2,0,0]=4 210 B22R2.55732139 CCCCCCCc1ccc(cc1)CNC2(COC2)CO 270004a_100010290435_100009998032 [1,0,0,1,0,0|2,0,0]=4 211 B22R2.55732139 CCCCCCCc1ccc(cc1)NCC2(COC2)CO 2230a_200000032916_100000685550 [1,0,0,1,0,0|2,0,0]=4 212 B22R2.55732139 CCCCCCCc1ccc(cc1)NCC2(COC2)CO 34a_200000032916_100000685550 [1,0,0,1,0,0|2,0,0]=4 213 B22R2.55732139 CCCCCCCc1ccc(cc1)NCC2(COC2)CO 7a_200000032916_100000685550 [1,0,0,1,0,0|2,0,0]=4 214 B22R2.55732139 CCCCCCCc1ccc(cc1)OCC2(COC2)CO 34a_100000036509_100000685550 [1,0,0,1,0,0|2,0,0]=4 215 B22R2.55732139 CCCCCCCc1ccc(cc1)OCC2(COC2)CO 7a_100000036509_100000685550 [1,0,0,1,0,0|2,0,0]=4 216 B22R2.55732139 CCCCCCCc1ccc(cc1)SCC2(COC2)CO 62a_100000685550_100009813667 [1,0,0,1,0,0|2,0,0]=4 217 B22R2.55732139 CCCCCCCc1ccc(cc1)SCC2(COC2)CO 62a_100009813667_100000685550 [1,0,0,1,0,0|2,0,0]=4 218 B24R2.7562587 CCCCCCCCc1ccc(cc1)CCNC2(CCOC2)C 2230a_100000693475_100016989816 [0,0,0,1,0,1|2,0,0]=4 219 B24R2.57183622 CCCCCCCCc1ccc(cc1)CCNC2(CCC2)CO 2230a_100016993734_100016989816 [0,0,0,1,0,1|2,0,0]=4 220 B24R2.57183622 CCCCCCCCc1ccc(cc1)CCNC2(COC2)CO 2230a_100010290435_100016989816 [0,0,0,1,0,1|1,0,0]=3 221 B24R2.57183622 CCCCCCCCc1ccc(cc1)CCOC2(COC2)CC 7a_100010739965_100016989816 [0,0,0,1,0,1|2,0,0]=4 222 B24R2.57183622 CCCCCCCCc1ccc(cc1)CNCC2(COC2)CC 2230a_200010007124_200009907690 [0,0,0,1,0,1|2,0,0]=4 223 B24R2.57183622 CCCCCCCCc1ccc(cc1)CNCC2(COC2)CC 269862a_200010007124_100000687158 [0,0,0,1,0,1|2,0,0]=4 224 B24R2.57183622 CCCCCCCCc1ccc(cc1)CNCC2(COC2)CC 34a_200010007124_200009907690 [0,0,0,1,0,1|2,0,0]=4 225 B24R2.57183622 CCCCCCCCc1ccc(cc1)CNCC2(COC2)CO 2230a_200010007124_100000685550 [0,0,0,1,0,1|1,0,0]=3 226 B24R2.57183622 CCCCCCCCc1ccc(cc1)CNCC2(COC2)CO 34a_200010007124_100000685550 [0,0,0,1,0,1|1,0,0]=3 227 B24R2.57183622 CCCCCCCOc1ccc(cc1)CNCC2(COC2)CO 207a_100000069510_100000189358 [0,0,0,1,0,1|2,0,0]=4 228 B24R2.57183622 CCCCCCCOc1ccc(cc1)CNCC2(COC2)CO 270004a_100000069510_100000189358 [0,0,0,1,0,1|2,0,0]=4 229 B24R2.56871123 CCCCCCCCCc1ccc(cc1)NCC2(COC2)CO 2230a_200009991369_100000685550 [0,1,0,1,0,0|2,0,0]=4 230 B24R2.56871123 CCCCCCCCCc1ccc(cc1)NCC2(COC2)CO 34a_200009991369_100000685550 [0,1,0,1,0,0|2,0,0]=4 231 B24R2.56871123 CCCCCCCCCc1ccc(cc1)NCC2(COC2)CO 7a_200009991369_100000685550 [0,1,0,1,0,0|2,0,0]=4 232 B24R2.56871123 CCCCCCCCCc1ccc(cc1)OCC2(COC2)CO 34a_200000038864_100000685550 [0,1,0,1,0,0|2,0,0]=4 233 B24R2.56871123 CCCCCCCCCc1ccc(cc1)OCC2(COC2)CO 7a_200000038864_100000685550 [0,1,0,1,0,0|2,0,0]=4 234 B24R2.56871123 CCCCCCCCCc1ccc(cc1)SCC2(COC2)CO 62a_100000685550_100009813833 [0,1,0,1,0,0|2,0,0]=4 235 B24R2.56871123 CCCCCCCCOc1ccc(cc1)CNC2(COC2)CO 207a_100010290435_100000261162 [0,1,0,1,0,0|2,0,0]=4 236 B24R2.56871123 CCCCCCCCOc1ccc(cc1)CNC2(COC2)CO 270004a_100010290435_100000261162 [0,1,0,1,0,0|2,0,0]=4 237 B24R2.56871123 CCCCCCCCOc1ccc(cc1)NCC2(COC2)CO 2230a_200000292040_100000685550 [0,1,0,1,0,0|2,0,0]=4 238 B24R2.56871123 CCCCCCCCOc1ccc(cc1)NCC2(COC2)CO 34a_200000292040_100000685550 [0,1,0,1,0,0|2,0,0]=4 239 B24R2.56871123 CCCCCCCCOc1ccc(cc1)NCC2(COC2)CO 7a_200000292040_100000685550 [0,1,0,1,0,0|2,0,0]=4 240 B24R2.56871123 CCCCCCCCOc1ccc(cc1)OCC2(COC2)CO 34a_100000261350_100000685550 [0,1,0,1,0,0|2,0,0]=4 241 B24R2.56871123 CCCCCCCCOc1ccc(cc1)OCC2(COC2)CO 7a_100000261350_100000685550 [0,1,0,1,0,0|2,0,0]=4 242 B24R2.56871123 CCCCCCCCOc1ccc(cc1)SCC2(COC2)CO 62a_100000685550_100103168737 [0,1,0,1,0,0|2,0,0]=4 243 B24R2.57183087 CCCCCCCCc1ccc(cc1)C(=O)CC2(COC2)CO 1458a_100000093814_100000685550 [0,1,0,1,0,0|1,0,1]=4 244 B22R1.19753 C=C[C@@H](CO)NCCc1ccc(cc1)CCCCCCCC 2230a_100016989147_100016989816 [1,0,0,0,0,1|1,0,1]=4 245 B22R1.19753 C=C[C@@H](CO)NCCc1ccc(cc1)CCCCCCCC 34a_100016989147_100016989816 [1,0,0,0,0,1|1,0,1]=4 246 B22R1.19753 CCCCCCCCc1ccc(cc1)CCNC(CC)CC 2230a_100000199018_100016989816 [1,0,0,0,0,1|2,0,0]=4 247 B22R1.19753 CCCCCCCCc1ccc(cc1)CCNC(CO)CO 2230a_100000759517_100016989816 [1,0,0,0,0,1|0,0,0]=2 248 B22R1.19753 CCCCCCCCc1ccc(cc1)CCN[C@@H](CC)CO 2230a_100000709445_100016989816 [1,0,0,0,0,1|1,0,0]=3 249 B22R1.19753 CCCCCCCCc1ccc(cc1)CCOC(CCl)CCl 7a_100000737055_100016989816 [1,0,0,0,0,1|2,0,0]=4 250 B22R1.19753 CCCCCCCCc1ccc(cc1)CCOC(CF)CF 34a_100000032261_100016989816 [1,0,0,0,0,1|2,0,0]=4 251 B22R1.19753 CCCCCCCCc1ccc(cc1)CCOC(CF)CF 7a_100000032261_100016989816 [1,0,0,0,0,1|2,0,0]=4 252 B22R1.19753 CCCCCCCCc1ccc(cc1)CCOC(CN)CN 34a_100000031598_100016989816 [1,0,0,0,0,1|2,0,0]=4 253 B22R1.19753 CCCCCCCCc1ccc(cc1)CCO[C@@H](CF)CCl 34a_100015614560_100016989816 [1,0,0,0,0,1|2,0,0]=4 254 B22R1.19753 CCCCCCCCc1ccc(cc1)CCO[C@@H](CF)CCl 7a_100015614560_100016989816 [1,0,0,0,0,1|2,0,0]=4 255 B22R1.78890 CCCCCCCCc1ccc(cc1)CCNC(C)(C)CC 2230a_100000211385_100016989816 [1,0,0,0,0,1|2,0,0]=4 256 B22R1.78890 CCCCCCCCc1ccc(cc1)CCNC(C)(C)CO 2230a_100000210608_100016989816 [1,0,0,0,0,1|1,0,0]=3 257 B22R1.78890 CCCCCCCCc1ccc(cc1)CCSC(F)(F)CO 62a_100011217949_100016989816 [1,0,0,0,0,1|2,0,0]=4 258 B22R1.78890 CCCCCCCCc1ccc(cc1)CCSC(F)(F)CO 62a_100016989816_100011217949 [1,0,0,0,0,1|2,0,0]=4 259 B22R1.78890 CCCCCCCCc1ccc(cc1)CNCC(C)(C)CO 26a_100020635058_100000011237 [1,0,0,0,0,1|1,0,0]=3 260 B22R1.78890 CCCCCCCCc1ccc(cc1)CNCC(C)(C)CO 34a_200010007124_100009813988 [1,0,0,0,0,1|1,0,0]=3 261 B22R1.78890 CCCCCCCOc1ccc(cc1)CNCC(C)(C)CO 207a_100020635058_100000189358 [1,0,0,0,0,1|2,0,0]=4 262 B22R1.78890 CCCCCCCOc1ccc(cc1)CNCC(C)(C)CO 26a_100020635058_200011215324 [1,0,0,0,0,1|2,0,0]=4 263 B22R1.78890 CCCCCCCOc1ccc(cc1)CNCC(C)(C)CO 270004a_100020635058_100000189358 [1,0,0,0,0,1|2,0,0]=4