0 B24R1.10090256 C=CCCCCCCCCCCCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_102130925996 [0,0,0,0,0,0|1,0,2]=3 1 B24R1.10090256 CCCCCCCCCCCCCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000210684 [0,0,0,0,0,0|1,0,0]=1 2 B24R1.10090256 CCCCCCCCCCCCNC(=O)c1cc(c(c(c1)Br)O)O 240690a_100000210451_200009992764 [0,0,0,0,0,0|2,0,0]=2 3 B24R1.10090256 CCCCCCCCCCCCNC(=O)c1cc(c(c(c1)C)O)C 240690a_100000210451_100011219978 [0,0,0,0,0,0|3,0,0]=3 4 B24R1.10090256 CCCCCCCCCCCCNC(=O)c1cc(c(c(c1)C)O)C 527a_100000210451_100011219978 [0,0,0,0,0,0|3,0,0]=3 5 B24R1.10090256 CCCCCCCCCCCCNC(=O)c1cc(c(c(c1)Cl)O)O 240690a_100000210451_200000078382 [0,0,0,0,0,0|2,0,0]=2 6 B24R1.10090256 CCCCCCCCCCCCNC(=O)c1cc(c(c(c1)F)C)F 11a_100000210451_100000055762 [0,0,0,0,0,0|4,0,0]=4 7 B24R1.10090256 CCCCCCCCCCCCNC(=O)c1cc(c(c(c1)F)C)F 1626a_100000210451_100000055762 [0,0,0,0,0,0|4,0,0]=4 8 B24R1.10090256 CCCCCCCCCCCCNC(=O)c1cc(c(c(c1)F)C)F 240690a_100000210451_100000055762 [0,0,0,0,0,0|4,0,0]=4 9 B24R1.10090256 CCCCCCCCCCCCNC(=O)c1cc(c(c(c1)F)C)F 527a_100000210451_100000055762 [0,0,0,0,0,0|4,0,0]=4 10 B24R1.10090256 CCCCCCCCCCCCNC(=O)c1cc(c(c(c1)F)F)C 11a_100000210451_100000061453 [0,0,0,0,0,0|4,0,0]=4 11 B24R1.10090256 CCCCCCCCCCCCNC(=O)c1cc(c(c(c1)F)F)C 1626a_100000210451_100000061453 [0,0,0,0,0,0|4,0,0]=4 12 B24R1.10090256 CCCCCCCCCCCCNC(=O)c1cc(c(c(c1)F)F)C 240690a_100000210451_100000061453 [0,0,0,0,0,0|4,0,0]=4 13 B24R1.10090256 CCCCCCCCCCCCNC(=O)c1cc(c(c(c1)F)F)C 527a_100000210451_100000061453 [0,0,0,0,0,0|4,0,0]=4 14 B24R1.10090256 CCCCCCCCCCCCNC(=O)c1cc(c(c(c1)F)F)F 11a_100000210451_100000751656 [0,0,0,0,0,0|4,0,0]=4 15 B24R1.10090256 CCCCCCCCCCCCNC(=O)c1cc(c(c(c1)F)F)F 1626a_100000210451_100000751656 [0,0,0,0,0,0|4,0,0]=4 16 B24R1.10090256 CCCCCCCCCCCCNC(=O)c1cc(c(c(c1)F)F)F 240690a_100000210451_100000751656 [0,0,0,0,0,0|4,0,0]=4 17 B24R1.10090256 CCCCCCCCCCCCNC(=O)c1cc(c(c(c1)F)F)F 527a_100000210451_100000751656 [0,0,0,0,0,0|4,0,0]=4 18 B24R1.10090256 CCCCCCCCCCCCNC(=O)c1cc(c(c(c1)F)F)O 240690a_100000210451_200000081825 [0,0,0,0,0,0|3,0,0]=3 19 B24R1.10090256 CCCCCCCCCCCCNC(=O)c1cc(c(c(c1)F)O)F 240690a_100000210451_100000766045 [0,0,0,0,0,0|3,0,0]=3 20 B24R1.10090256 CCCCCCCCCCCCNC(=O)c1cc(c(c(c1)F)O)F 527a_100000210451_100000766045 [0,0,0,0,0,0|3,0,0]=3 21 B24R1.10090256 CCCCCCCCCCCCNC(=O)c1cc(c(c(c1)O)Br)O 240690a_100000210451_100009812877 [0,0,0,0,0,0|2,0,0]=2 22 B24R1.10090256 CCCCCCCCCCCCNC(=O)c1cc(c(c(c1)O)C)O 240690a_100000210451_100000031928 [0,0,0,0,0,0|2,0,0]=2 23 B24R1.10090256 CCCCCCCCCCCCNC(=O)c1cc(c(c(c1)O)C)O 527a_100000210451_100000031928 [0,0,0,0,0,0|2,0,0]=2 24 B24R1.10090256 CCCCCCCCCCCCNC(=O)c1cc(c(c(c1)O)Cl)O 240690a_100000210451_100000074654 [0,0,0,0,0,0|2,0,0]=2 25 B24R1.10090256 Cc1c(cc(cc1O)C(=O)CCCCCCCCCCCCO)O 1458a_100000031928_100009813331 [0,0,0,0,0,0|3,0,0]=3 26 B24R1.10090256 Cc1c(cc(cc1O)C(=O)CCCCCCOCCCCCO)O 1458a_100000031928_200132310570 [0,0,0,0,0,0|4,0,0]=4 27 B24R1.10090256 Cc1cc(cc(c1O)C)C(=O)CCCCCCCCCCCCO 1458a_100011219978_100009813331 [0,0,0,0,0,0|4,0,0]=4 28 B24R1.10090256 O=C(CCCCCCCCCCCCO)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100009813331 [0,0,0,0,0,0|3,0,0]=3 29 B24R1.10090256 O=C(CCCCCCCCCCCCO)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100009813331 [0,0,0,0,0,0|3,0,0]=3 30 B24R1.10090256 O=C(CCCCCCCCCCCCO)c1cc(c(c(c1)F)F)O 1458a_200000081825_100009813331 [0,0,0,0,0,0|4,0,0]=4 31 B24R1.10090256 O=C(CCCCCCCCCCCCO)c1cc(c(c(c1)F)O)F 1458a_100000766045_100009813331 [0,0,0,0,0,0|4,0,0]=4 32 B24R1.10090256 O=C(CCCCCCCCCCCCO)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_100009813331 [0,0,0,0,0,0|3,0,0]=3 33 B24R1.10090256 O=C(CCCCCCCCCCCCO)c1cc(c(c(c1)O)O)O 1458a_100000212154_100009813331 [0,0,0,0,0,0|2,0,0]=2 34 B24R1.10090256 O=C(CCCCCCOCCCCCO)c1cc(c(c(c1)Br)O)O 1458a_200009992764_200132310570 [0,0,0,0,0,0|4,0,0]=4 35 B24R1.10090256 O=C(CCCCCCOCCCCCO)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_200132310570 [0,0,0,0,0,0|4,0,0]=4 36 B24R1.10090256 O=C(CCCCCCOCCCCCO)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_200132310570 [0,0,0,0,0,0|4,0,0]=4 37 B24R1.10090256 O=C(CCCCCCOCCCCCO)c1cc(c(c(c1)O)O)O 1458a_100000212154_200132310570 [0,0,0,0,0,0|3,0,0]=3 38 B23R1.65645 OCCCCCCCCCCCCSc1cc(c(c(c1)O)O)O 62a_100009813331_100010658518 [1,0,0,0,0,0|3,0,0]=4 39 B23R1.121218 CCCCCCCCCCCCNC(=O)c1cc(cc(c1)Br)O 240690a_100000210451_100011934545 [1,0,0,0,0,0|2,0,0]=3 40 B23R1.121218 CCCCCCCCCCCCNC(=O)c1cc(cc(c1)Br)O 527a_100000210451_100011934545 [1,0,0,0,0,0|2,0,0]=3 41 B23R1.121218 CCCCCCCCCCCCNC(=O)c1cc(cc(c1)C)C 11a_100000210451_100000210874 [1,0,0,0,0,0|3,0,0]=4 42 B23R1.121218 CCCCCCCCCCCCNC(=O)c1cc(cc(c1)C)C 1626a_100000210451_100000210874 [1,0,0,0,0,0|3,0,0]=4 43 B23R1.121218 CCCCCCCCCCCCNC(=O)c1cc(cc(c1)C)C 240690a_100000210451_100000210874 [1,0,0,0,0,0|3,0,0]=4 44 B23R1.121218 CCCCCCCCCCCCNC(=O)c1cc(cc(c1)C)C 527a_100000210451_100000210874 [1,0,0,0,0,0|3,0,0]=4 45 B23R1.121218 CCCCCCCCCCCCNC(=O)c1cc(cc(c1)Cl)O 240690a_100000210451_100011997059 [1,0,0,0,0,0|2,0,0]=3 46 B23R1.121218 CCCCCCCCCCCCNC(=O)c1cc(cc(c1)Cl)O 527a_100000210451_100011997059 [1,0,0,0,0,0|2,0,0]=3 47 B23R1.121218 CCCCCCCCCCCCNC(=O)c1cc(cc(c1)F)C 11a_100000210451_100000763163 [1,0,0,0,0,0|3,0,0]=4 48 B23R1.121218 CCCCCCCCCCCCNC(=O)c1cc(cc(c1)F)C 1626a_100000210451_100000763163 [1,0,0,0,0,0|3,0,0]=4 49 B23R1.121218 CCCCCCCCCCCCNC(=O)c1cc(cc(c1)F)C 240690a_100000210451_100000763163 [1,0,0,0,0,0|3,0,0]=4 50 B23R1.121218 CCCCCCCCCCCCNC(=O)c1cc(cc(c1)F)C 527a_100000210451_100000763163 [1,0,0,0,0,0|3,0,0]=4 51 B23R1.121218 CCCCCCCCCCCCNC(=O)c1cc(cc(c1)F)F 11a_100000210451_100000211655 [1,0,0,0,0,0|3,0,0]=4 52 B23R1.121218 CCCCCCCCCCCCNC(=O)c1cc(cc(c1)F)F 1626a_100000210451_100000211655 [1,0,0,0,0,0|3,0,0]=4 53 B23R1.121218 CCCCCCCCCCCCNC(=O)c1cc(cc(c1)F)F 240690a_100000210451_100000211655 [1,0,0,0,0,0|3,0,0]=4 54 B23R1.121218 CCCCCCCCCCCCNC(=O)c1cc(cc(c1)F)F 527a_100000210451_100000211655 [1,0,0,0,0,0|3,0,0]=4 55 B23R1.121218 CCCCCCCCCCCCNC(=O)c1cc(cc(c1)F)O 11a_100000210451_100012017291 [1,0,0,0,0,0|2,0,0]=3 56 B23R1.121218 CCCCCCCCCCCCNC(=O)c1cc(cc(c1)F)O 240690a_100000210451_100012017291 [1,0,0,0,0,0|2,0,0]=3 57 B23R1.121218 CCCCCCCCCCCCNC(=O)c1cc(cc(c1)F)O 527a_100000210451_100012017291 [1,0,0,0,0,0|2,0,0]=3 58 B23R1.121218 CCCCCCCCCCCCNC(=O)c1cc(cc(c1)O)C 240690a_100000210451_100000094094 [1,0,0,0,0,0|2,0,0]=3 59 B23R1.121218 CCCCCCCCCCCCNC(=O)c1cc(cc(c1)O)C 527a_100000210451_100000094094 [1,0,0,0,0,0|2,0,0]=3 60 B23R1.121218 CCCCCCCCCCCCNC(=O)c1cc(cc(c1)O)O 240690a_100000210451_100000690292 [1,0,0,0,0,0|1,0,0]=2 61 B23R1.121218 CCCCCCCCCCCCNC(=O)c1cc(cc(c1)O)O 527a_100000210451_100000690292 [1,0,0,0,0,0|1,0,0]=2 62 B23R1.121218 CCCCCCCCCCCNCC(=O)c1cc(cc(c1)O)O 2230a_200011215754_100010006762 [1,0,0,0,0,0|2,0,0]=3 63 B23R1.121218 CCCCCCCCCCCNCC(=O)c1cc(cc(c1)O)O 34a_200011215754_100010006762 [1,0,0,0,0,0|2,0,0]=3 64 B23R1.121218 CCCCCCCCCCCOCC(=O)c1cc(cc(c1)O)O 34a_100000210809_100010006762 [1,0,0,0,0,0|2,0,0]=3 65 B23R1.121218 CCCCCCCCCCCSCC(=O)c1cc(cc(c1)O)O 62a_100010006762_100011215454 [1,0,0,0,0,0|2,0,0]=3 66 B23R1.121218 Cc1cc(cc(c1)C(=O)CCCCCCCCCCCCO)O 1458a_100000094094_100009813331 [1,0,0,0,0,0|3,0,0]=4 67 B23R1.121218 NCCCCCCCCCCOCC(=O)c1cc(cc(c1)O)O 34a_100000066964_100010006762 [1,0,0,0,0,0|3,0,0]=4 68 B23R1.121218 O=C(CCCCCCCCCCCCO)c1cc(cc(c1)Br)O 1458a_100011934545_100009813331 [1,0,0,0,0,0|3,0,0]=4 69 B23R1.121218 O=C(CCCCCCCCCCCCO)c1cc(cc(c1)Cl)O 1458a_100011997059_100009813331 [1,0,0,0,0,0|3,0,0]=4 70 B23R1.121218 O=C(CCCCCCCCCCCCO)c1cc(cc(c1)F)O 1458a_100012017291_100009813331 [1,0,0,0,0,0|3,0,0]=4 71 B23R1.121218 O=C(CNCCCCCCCCCCO)c1cc(cc(c1)O)O 2230a_100000066964_100010006762 [1,0,0,0,0,0|3,0,0]=4 72 B23R1.121218 O=C(CNCCCCCCCCCCO)c1cc(cc(c1)O)O 34a_100000066964_100010006762 [1,0,0,0,0,0|3,0,0]=4 73 B23R1.121218 O=C(COCCCCCCCCCCBr)c1cc(cc(c1)O)O 34a_100009813290_100010006762 [1,0,0,0,0,0|3,0,0]=4 74 B23R1.121218 O=C(COCCCCCCCCCCCl)c1cc(cc(c1)O)O 34a_200000033068_100010006762 [1,0,0,0,0,0|3,0,0]=4 75 B23R1.121218 O=C(CSCCCCCCCCCCO)c1cc(cc(c1)O)O 62a_100009813290_100010006762 [1,0,0,0,0,0|3,0,0]=4 76 B23R1.121218 O=C(CSCCCCCCCCCCO)c1cc(cc(c1)O)O 62a_100010006762_200000033068 [1,0,0,0,0,0|3,0,0]=4 77 B23R1.121234 C=CCCCCCCCCCCCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_102130925996 [1,0,0,0,0,0|1,0,2]=4 78 B23R1.121234 CCCCCCCCCCCCCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000210684 [1,0,0,0,0,0|1,0,0]=2 79 B23R1.121234 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)Br)O 240690a_100000210451_100000189672 [1,0,0,0,0,0|2,0,0]=3 80 B23R1.121234 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)C)C 11a_100000210451_100000210898 [1,0,0,0,0,0|3,0,0]=4 81 B23R1.121234 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)C)C 1626a_100000210451_100000210898 [1,0,0,0,0,0|3,0,0]=4 82 B23R1.121234 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)C)C 240690a_100000210451_100000210898 [1,0,0,0,0,0|3,0,0]=4 83 B23R1.121234 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)C)C 527a_100000210451_100000210898 [1,0,0,0,0,0|3,0,0]=4 84 B23R1.121234 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)C)F 11a_100000210451_100000751819 [1,0,0,0,0,0|3,0,0]=4 85 B23R1.121234 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)C)F 1626a_100000210451_100000751819 [1,0,0,0,0,0|3,0,0]=4 86 B23R1.121234 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)C)F 240690a_100000210451_100000751819 [1,0,0,0,0,0|3,0,0]=4 87 B23R1.121234 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)C)F 527a_100000210451_100000751819 [1,0,0,0,0,0|3,0,0]=4 88 B23R1.121234 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)C)O 240690a_100000210451_100000685612 [1,0,0,0,0,0|2,0,0]=3 89 B23R1.121234 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)Cl)O 240690a_100000210451_100000212196 [1,0,0,0,0,0|2,0,0]=3 90 B23R1.121234 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)Cl)O 527a_100000210451_100000212196 [1,0,0,0,0,0|2,0,0]=3 91 B23R1.121234 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)F)C 11a_100000210451_100000212313 [1,0,0,0,0,0|3,0,0]=4 92 B23R1.121234 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)F)C 1626a_100000210451_100000212313 [1,0,0,0,0,0|3,0,0]=4 93 B23R1.121234 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)F)C 240690a_100000210451_100000212313 [1,0,0,0,0,0|3,0,0]=4 94 B23R1.121234 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)F)C 527a_100000210451_100000212313 [1,0,0,0,0,0|3,0,0]=4 95 B23R1.121234 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)F)F 11a_100000210451_100000209822 [1,0,0,0,0,0|3,0,0]=4 96 B23R1.121234 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)F)F 1626a_100000210451_100000209822 [1,0,0,0,0,0|3,0,0]=4 97 B23R1.121234 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)F)F 240690a_100000210451_100000209822 [1,0,0,0,0,0|3,0,0]=4 98 B23R1.121234 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)F)F 527a_100000210451_100000209822 [1,0,0,0,0,0|3,0,0]=4 99 B23R1.121234 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)F)O 240690a_100000210451_100000185466 [1,0,0,0,0,0|2,0,0]=3 100 B23R1.121234 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)F)O 527a_100000210451_100000185466 [1,0,0,0,0,0|2,0,0]=3 101 B23R1.121234 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)I)O 1626a_100000210451_100000037485 [1,0,0,0,0,0|2,0,0]=3 102 B23R1.121234 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)I)O 240690a_100000210451_100000037485 [1,0,0,0,0,0|2,0,0]=3 103 B23R1.121234 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)O)Br 240690a_100000210451_100000689001 [1,0,0,0,0,0|2,0,0]=3 104 B23R1.121234 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)O)Br 527a_100000210451_100000689001 [1,0,0,0,0,0|2,0,0]=3 105 B23R1.121234 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)O)C 240690a_100000210451_100000233767 [1,0,0,0,0,0|2,0,0]=3 106 B23R1.121234 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)O)Cl 240690a_100000210451_100011933997 [1,0,0,0,0,0|2,0,0]=3 107 B23R1.121234 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)O)Cl 527a_100000210451_100011933997 [1,0,0,0,0,0|2,0,0]=3 108 B23R1.121234 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)O)F 240690a_100000210451_100000035894 [1,0,0,0,0,0|2,0,0]=3 109 B23R1.121234 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)O)F 527a_100000210451_100000035894 [1,0,0,0,0,0|2,0,0]=3 110 B23R1.121234 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)O)I 1626a_100000210451_100000239334 [1,0,0,0,0,0|2,0,0]=3 111 B23R1.121234 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)O)I 240690a_100000210451_100000239334 [1,0,0,0,0,0|2,0,0]=3 112 B23R1.121234 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)O)I 527a_100000210451_100000239334 [1,0,0,0,0,0|2,0,0]=3 113 B23R1.121234 CCCCCCCCCCCOCC(=O)c1ccc(c(c1)Cl)O 7a_100000210809_200010170092 [1,0,0,0,0,0|3,0,0]=4 114 B23R1.121234 CCCCCCCCCCCOCC(=O)c1ccc(c(c1)O)O 7a_100000210809_100000183813 [1,0,0,0,0,0|2,0,0]=3 115 B23R1.121234 CCCCCCCCOCCCOC(=O)c1ccc(c(c1)F)F 34a_100035314219_100000210759 [1,0,0,0,0,0|3,0,0]=4 116 B23R1.121234 CCCCCCCCOCCCOC(=O)c1ccc(c(c1)F)F 7a_100035314219_100000210759 [1,0,0,0,0,0|3,0,0]=4 117 B23R1.121234 Cc1cc(ccc1O)C(=O)CCCCCCCCCCCCO 1458a_100000685612_100009813331 [1,0,0,0,0,0|3,0,0]=4 118 B23R1.121234 Cc1ccc(cc1O)C(=O)CCCCCCCCCCCCO 1458a_100000233767_100009813331 [1,0,0,0,0,0|3,0,0]=4 119 B23R1.121234 O=C(CCCCCCCCCCCCO)c1ccc(c(c1)Br)O 1458a_100000189672_100009813331 [1,0,0,0,0,0|3,0,0]=4 120 B23R1.121234 O=C(CCCCCCCCCCCCO)c1ccc(c(c1)Cl)O 1458a_100000212196_100009813331 [1,0,0,0,0,0|3,0,0]=4 121 B23R1.121234 O=C(CCCCCCCCCCCCO)c1ccc(c(c1)F)O 1458a_100000185466_100009813331 [1,0,0,0,0,0|3,0,0]=4 122 B23R1.121234 O=C(CCCCCCCCCCCCO)c1ccc(c(c1)I)O 1458a_100000037485_100009813331 [1,0,0,0,0,0|3,0,0]=4 123 B23R1.121234 O=C(CCCCCCCCCCCCO)c1ccc(c(c1)O)Br 1458a_100000689001_100009813331 [1,0,0,0,0,0|3,0,0]=4 124 B23R1.121234 O=C(CCCCCCCCCCCCO)c1ccc(c(c1)O)Cl 1458a_100011933997_100009813331 [1,0,0,0,0,0|3,0,0]=4 125 B23R1.121234 O=C(CCCCCCCCCCCCO)c1ccc(c(c1)O)F 1458a_100000035894_100009813331 [1,0,0,0,0,0|3,0,0]=4 126 B23R1.121234 O=C(CCCCCCCCCCCCO)c1ccc(c(c1)O)I 1458a_100000239334_100009813331 [1,0,0,0,0,0|3,0,0]=4 127 B23R1.121234 O=C(CCCCCCCCCCCCO)c1ccc(c(c1)O)O 1458a_100000212155_100009813331 [1,0,0,0,0,0|2,0,0]=3 128 B23R1.121234 O=C(CCCCCCOCCCCCO)c1ccc(c(c1)O)O 1458a_100000212155_200132310570 [1,0,0,0,0,0|3,0,0]=4 129 B23R1.121234 O=C(COCCCCCCCCCCBr)c1ccc(c(c1)O)O 7a_100009813290_100000183813 [1,0,0,0,0,0|3,0,0]=4 130 B23R1.121234 O=C(COCCCCCCCCCCCl)c1ccc(c(c1)O)O 7a_200000033068_100000183813 [1,0,0,0,0,0|3,0,0]=4 131 B23R1.121234 O=C(CSCCCCCCCCCCO)c1ccc(c(c1)O)O 62a_100009813290_100000183813 [1,0,0,0,0,0|3,0,0]=4 132 B23R1.708427 C=CCCCCCCCCCCC(=O)c1cc(c(c(c1)O)C)O 1458a_100000031928_100011093070 [1,0,0,0,0,0|1,0,2]=4 133 B23R1.708427 C=CCCCCCCCCCCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100011093070 [1,0,0,0,0,0|0,0,2]=3 134 B23R1.708427 CCCCC#CCCCCCCC(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_200000043322 [1,0,0,0,0,0|1,0,2]=4 135 B23R1.708427 CCCCC#CCCCCCCC(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_200000043322 [1,0,0,0,0,0|1,0,2]=4 136 B23R1.708427 CCCCC#CCCCCCCC(=O)c1cc(c(c(c1)O)C)O 1458a_100000031928_200000043322 [1,0,0,0,0,0|1,0,2]=4 137 B23R1.708427 CCCCC#CCCCCCCC(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_200000043322 [1,0,0,0,0,0|1,0,2]=4 138 B23R1.708427 CCCCC#CCCCCCCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_200000043322 [1,0,0,0,0,0|0,0,2]=3 139 B23R1.708427 CCCCCCCCCCCCC(=O)c1cc(c(c(c1)O)C)O 1458a_100000031928_100000759014 [1,0,0,0,0,0|1,0,0]=2 140 B23R1.708427 CCCCCCCCCCCCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000759014 [1,0,0,0,0,0|0,0,0]=1 141 B23R1.708427 CCCCCCCCCCCNC(=O)c1cc(c(c(c1)Br)O)O 240690a_200011215754_200009992764 [1,0,0,0,0,0|2,0,0]=3 142 B23R1.708427 CCCCCCCCCCCNC(=O)c1cc(c(c(c1)C)O)C 240690a_200011215754_100011219978 [1,0,0,0,0,0|3,0,0]=4 143 B23R1.708427 CCCCCCCCCCCNC(=O)c1cc(c(c(c1)C)O)C 527a_200011215754_100011219978 [1,0,0,0,0,0|3,0,0]=4 144 B23R1.708427 CCCCCCCCCCCNC(=O)c1cc(c(c(c1)Cl)O)Cl 240690a_200011215754_100000184433 [1,0,0,0,0,0|3,0,0]=4 145 B23R1.708427 CCCCCCCCCCCNC(=O)c1cc(c(c(c1)Cl)O)Cl 527a_200011215754_100000184433 [1,0,0,0,0,0|3,0,0]=4 146 B23R1.708427 CCCCCCCCCCCNC(=O)c1cc(c(c(c1)Cl)O)O 240690a_200011215754_200000078382 [1,0,0,0,0,0|2,0,0]=3 147 B23R1.708427 CCCCCCCCCCCNC(=O)c1cc(c(c(c1)F)F)O 240690a_200011215754_200000081825 [1,0,0,0,0,0|3,0,0]=4 148 B23R1.708427 CCCCCCCCCCCNC(=O)c1cc(c(c(c1)F)O)F 240690a_200011215754_100000766045 [1,0,0,0,0,0|3,0,0]=4 149 B23R1.708427 CCCCCCCCCCCNC(=O)c1cc(c(c(c1)F)O)F 527a_200011215754_100000766045 [1,0,0,0,0,0|3,0,0]=4 150 B23R1.708427 CCCCCCCCCCCNC(=O)c1cc(c(c(c1)I)O)I 1626a_200011215754_100000034356 [1,0,0,0,0,0|3,0,0]=4 151 B23R1.708427 CCCCCCCCCCCNC(=O)c1cc(c(c(c1)I)O)I 240690a_200011215754_100000034356 [1,0,0,0,0,0|3,0,0]=4 152 B23R1.708427 CCCCCCCCCCCNC(=O)c1cc(c(c(c1)I)O)I 527a_200011215754_100000034356 [1,0,0,0,0,0|3,0,0]=4 153 B23R1.708427 CCCCCCCCCCCNC(=O)c1cc(c(c(c1)O)Br)O 240690a_200011215754_100009812877 [1,0,0,0,0,0|2,0,0]=3 154 B23R1.708427 CCCCCCCCCCCNC(=O)c1cc(c(c(c1)O)C)O 240690a_200011215754_100000031928 [1,0,0,0,0,0|2,0,0]=3 155 B23R1.708427 CCCCCCCCCCCNC(=O)c1cc(c(c(c1)O)C)O 527a_200011215754_100000031928 [1,0,0,0,0,0|2,0,0]=3 156 B23R1.708427 CCCCCCCCCCCNC(=O)c1cc(c(c(c1)O)Cl)O 240690a_200011215754_100000074654 [1,0,0,0,0,0|2,0,0]=3 157 B23R1.708427 Cc1c(cc(cc1O)C(=O)CCCCCCCCCCCO)O 1458a_100000031928_100009812471 [1,0,0,0,0,0|2,0,0]=3 158 B23R1.708427 Cc1c(cc(cc1O)C(=O)NCCCCCCCCCCO)O 240690a_100000066964_100000031928 [1,0,0,0,0,0|3,0,0]=4 159 B23R1.708427 Cc1cc(cc(c1O)C)C(=O)CCCCCCCCCCCO 1458a_100011219978_100009812471 [1,0,0,0,0,0|3,0,0]=4 160 B23R1.708427 O=C(CCCCCCCCCCCO)c1cc(c(c(c1)Br)O)Br 1458a_100000692688_100009812471 [1,0,0,0,0,0|3,0,0]=4 161 B23R1.708427 O=C(CCCCCCCCCCCO)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100009812471 [1,0,0,0,0,0|2,0,0]=3 162 B23R1.708427 O=C(CCCCCCCCCCCO)c1cc(c(c(c1)Cl)O)Cl 1458a_100000184433_100009812471 [1,0,0,0,0,0|3,0,0]=4 163 B23R1.708427 O=C(CCCCCCCCCCCO)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100009812471 [1,0,0,0,0,0|2,0,0]=3 164 B23R1.708427 O=C(CCCCCCCCCCCO)c1cc(c(c(c1)F)F)O 1458a_200000081825_100009812471 [1,0,0,0,0,0|3,0,0]=4 165 B23R1.708427 O=C(CCCCCCCCCCCO)c1cc(c(c(c1)F)O)F 1458a_100000766045_100009812471 [1,0,0,0,0,0|3,0,0]=4 166 B23R1.708427 O=C(CCCCCCCCCCCO)c1cc(c(c(c1)I)O)I 1458a_100000034356_100009812471 [1,0,0,0,0,0|3,0,0]=4 167 B23R1.708427 O=C(CCCCCCCCCCCO)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_100009812471 [1,0,0,0,0,0|2,0,0]=3 168 B23R1.708427 O=C(CCCCCCCCCCCO)c1cc(c(c(c1)O)O)O 1458a_100000212154_100009812471 [1,0,0,0,0,0|1,0,0]=2 169 B23R1.708427 O=C(NCCCCCCCCCCO)c1cc(c(c(c1)Br)O)O 240690a_100000066964_200009992764 [1,0,0,0,0,0|3,0,0]=4 170 B23R1.708427 O=C(NCCCCCCCCCCO)c1cc(c(c(c1)Cl)O)O 240690a_100000066964_200000078382 [1,0,0,0,0,0|3,0,0]=4 171 B23R1.708427 O=C(NCCCCCCCCCCO)c1cc(c(c(c1)O)Br)O 240690a_100000066964_100009812877 [1,0,0,0,0,0|3,0,0]=4 172 B23R1.708427 O=C(NCCCCCCCCCCO)c1cc(c(c(c1)O)Cl)O 240690a_100000066964_100000074654 [1,0,0,0,0,0|3,0,0]=4 173 B25R1.8713816 CCCCCCCCCCCCCNC(=O)c1cc(c(c(c1)Br)O)O 240690a_100011215765_200009992764 [0,1,0,0,0,0|2,0,0]=3 174 B25R1.8713816 CCCCCCCCCCCCCNC(=O)c1cc(c(c(c1)Cl)O)O 240690a_100011215765_200000078382 [0,1,0,0,0,0|2,0,0]=3 175 B25R1.8713816 CCCCCCCCCCCCCNC(=O)c1cc(c(c(c1)F)F)O 240690a_100011215765_200000081825 [0,1,0,0,0,0|3,0,0]=4 176 B25R1.8713816 CCCCCCCCCCCCCNC(=O)c1cc(c(c(c1)F)O)F 240690a_100011215765_100000766045 [0,1,0,0,0,0|3,0,0]=4 177 B25R1.8713816 CCCCCCCCCCCCCNC(=O)c1cc(c(c(c1)F)O)F 527a_100011215765_100000766045 [0,1,0,0,0,0|3,0,0]=4 178 B25R1.8713816 CCCCCCCCCCCCCNC(=O)c1cc(c(c(c1)O)Br)O 240690a_100011215765_100009812877 [0,1,0,0,0,0|2,0,0]=3 179 B25R1.8713816 CCCCCCCCCCCCCNC(=O)c1cc(c(c(c1)O)C)O 240690a_100011215765_100000031928 [0,1,0,0,0,0|2,0,0]=3 180 B25R1.8713816 CCCCCCCCCCCCCNC(=O)c1cc(c(c(c1)O)C)O 527a_100011215765_100000031928 [0,1,0,0,0,0|2,0,0]=3 181 B25R1.8713816 CCCCCCCCCCCCCNC(=O)c1cc(c(c(c1)O)Cl)O 240690a_100011215765_100000074654 [0,1,0,0,0,0|2,0,0]=3 182 B25R1.8713816 Cc1c(cc(cc1O)C(=O)CCCCCCCCCCCCCO)O 1458a_100000031928_100009812470 [0,1,0,0,0,0|2,0,0]=3 183 B25R1.8713816 Cc1c(cc(cc1O)C(=O)NCCCCCCCCCCCCO)O 240690a_100000066677_100000031928 [0,1,0,0,0,0|2,0,0]=3 184 B25R1.8713816 Cc1cc(cc(c1O)C)C(=O)CCCCCCCCCCCCCO 1458a_100011219978_100009812470 [0,1,0,0,0,0|3,0,0]=4 185 B25R1.8713816 Cc1cc(cc(c1O)C)C(=O)NCCCCCCCCCCCCO 240690a_100000066677_100011219978 [0,1,0,0,0,0|3,0,0]=4 186 B25R1.8713816 O=C(CCCCCCCCCCCCCO)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100009812470 [0,1,0,0,0,0|2,0,0]=3 187 B25R1.8713816 O=C(CCCCCCCCCCCCCO)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100009812470 [0,1,0,0,0,0|2,0,0]=3 188 B25R1.8713816 O=C(CCCCCCCCCCCCCO)c1cc(c(c(c1)F)F)O 1458a_200000081825_100009812470 [0,1,0,0,0,0|3,0,0]=4 189 B25R1.8713816 O=C(CCCCCCCCCCCCCO)c1cc(c(c(c1)F)O)F 1458a_100000766045_100009812470 [0,1,0,0,0,0|3,0,0]=4 190 B25R1.8713816 O=C(CCCCCCCCCCCCCO)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_100009812470 [0,1,0,0,0,0|2,0,0]=3 191 B25R1.8713816 O=C(CCCCCCCCCCCCCO)c1cc(c(c(c1)O)O)O 1458a_100000212154_100009812470 [0,1,0,0,0,0|1,0,0]=2 192 B25R1.8713816 O=C(NCCCCCCCCCCCCO)c1cc(c(c(c1)Br)O)Br 240690a_100000066677_100000692688 [0,1,0,0,0,0|3,0,0]=4 193 B25R1.8713816 O=C(NCCCCCCCCCCCCO)c1cc(c(c(c1)Br)O)O 240690a_100000066677_200009992764 [0,1,0,0,0,0|2,0,0]=3 194 B25R1.8713816 O=C(NCCCCCCCCCCCCO)c1cc(c(c(c1)Cl)O)Cl 240690a_100000066677_100000184433 [0,1,0,0,0,0|3,0,0]=4 195 B25R1.8713816 O=C(NCCCCCCCCCCCCO)c1cc(c(c(c1)Cl)O)O 240690a_100000066677_200000078382 [0,1,0,0,0,0|2,0,0]=3 196 B25R1.8713816 O=C(NCCCCCCCCCCCCO)c1cc(c(c(c1)F)F)O 240690a_100000066677_200000081825 [0,1,0,0,0,0|3,0,0]=4 197 B25R1.8713816 O=C(NCCCCCCCCCCCCO)c1cc(c(c(c1)F)O)F 240690a_100000066677_100000766045 [0,1,0,0,0,0|3,0,0]=4 198 B25R1.8713816 O=C(NCCCCCCCCCCCCO)c1cc(c(c(c1)I)O)I 240690a_100000066677_100000034356 [0,1,0,0,0,0|3,0,0]=4 199 B25R1.8713816 O=C(NCCCCCCCCCCCCO)c1cc(c(c(c1)O)Br)O 240690a_100000066677_100009812877 [0,1,0,0,0,0|2,0,0]=3 200 B25R1.8713816 O=C(NCCCCCCCCCCCCO)c1cc(c(c(c1)O)Cl)O 240690a_100000066677_100000074654 [0,1,0,0,0,0|2,0,0]=3 201 B25R1.13043660 CCCCCCCCCCCCNC(=O)c1cc(c(c(c1F)F)O)F 240690a_100000210451_100000088966 [0,1,0,0,0,0|3,0,0]=4 202 B25R1.13043660 CCCCCCCCCCCCNC(=O)c1cc(c(c(c1F)O)F)F 240690a_100000210451_100000737090 [0,1,0,0,0,0|3,0,0]=4 203 B25R1.19511373 CCCCCCCCCCCCC(C)C(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_200011217028 [0,1,0,0,0,0|1,0,0]=2 204 B25R1.19511373 CCCCCCCCCCCCN(C)C(=O)c1cc(c(c(c1)Br)O)O 240690a_100000227908_200009992764 [0,1,0,0,0,0|2,0,0]=3 205 B25R1.19511373 CCCCCCCCCCCCN(C)C(=O)c1cc(c(c(c1)Cl)O)O 240690a_100000227908_200000078382 [0,1,0,0,0,0|2,0,0]=3 206 B25R1.19511373 CCCCCCCCCCCCN(C)C(=O)c1cc(c(c(c1)F)F)O 240690a_100000227908_200000081825 [0,1,0,0,0,0|3,0,0]=4 207 B25R1.19511373 CCCCCCCCCCCCN(C)C(=O)c1cc(c(c(c1)F)O)F 240690a_100000227908_100000766045 [0,1,0,0,0,0|3,0,0]=4 208 B25R1.19511373 CCCCCCCCCCCCN(C)C(=O)c1cc(c(c(c1)F)O)F 527a_100000227908_100000766045 [0,1,0,0,0,0|3,0,0]=4 209 B25R1.19511373 CCCCCCCCCCCCN(C)C(=O)c1cc(c(c(c1)O)Br)O 240690a_100000227908_100009812877 [0,1,0,0,0,0|2,0,0]=3 210 B25R1.19511373 CCCCCCCCCCCCN(C)C(=O)c1cc(c(c(c1)O)C)O 240690a_100000227908_100000031928 [0,1,0,0,0,0|2,0,0]=3 211 B25R1.19511373 CCCCCCCCCCCCN(C)C(=O)c1cc(c(c(c1)O)C)O 527a_100000227908_100000031928 [0,1,0,0,0,0|2,0,0]=3 212 B25R1.19511373 CCCCCCCCCCCCN(C)C(=O)c1cc(c(c(c1)O)Cl)O 240690a_100000227908_100000074654 [0,1,0,0,0,0|2,0,0]=3 213 B25R1.35398334 CCOC(=O)CCCCCCCCCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100009828014 [0,1,0,0,0,0|2,0,1]=4 214 B25R1.40391385 COC(=O)CCCCCCCCCCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100009812566 [0,1,0,0,0,0|2,0,1]=4 215 B25R1.49363078 CCCCCCCCCCOC(=O)CC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000210668 [0,1,0,0,0,0|2,0,1]=4 216 B25R1.61410049 C=CCCCCCCCCCCCC(=O)c1cc(c(c(c1)OC)O)O 1458a_100000061230_102130925996 [0,1,0,0,0,0|1,0,2]=4 217 B25R1.61410049 CCCCCCCCCCCCCC(=O)c1cc(c(c(c1)OC)O)O 1458a_100000061230_100000210684 [0,1,0,0,0,0|1,0,0]=2 218 B25R1.61410049 CCCCCCCCCCCCNC(=O)c1cc(c(c(c1)OC)F)F 11a_100000210451_100000081826 [0,1,0,0,0,0|3,0,0]=4 219 B25R1.61410049 CCCCCCCCCCCCNC(=O)c1cc(c(c(c1)OC)F)F 1626a_100000210451_100000081826 [0,1,0,0,0,0|3,0,0]=4 220 B25R1.61410049 CCCCCCCCCCCCNC(=O)c1cc(c(c(c1)OC)F)F 240690a_100000210451_100000081826 [0,1,0,0,0,0|3,0,0]=4 221 B25R1.61410049 CCCCCCCCCCCCNC(=O)c1cc(c(c(c1)OC)F)F 527a_100000210451_100000081826 [0,1,0,0,0,0|3,0,0]=4 222 B25R1.61410049 CCCCCCCCCCCCNC(=O)c1cc(c(c(c1)OC)O)Cl 240690a_100000210451_100000209947 [0,1,0,0,0,0|2,0,0]=3 223 B25R1.61410049 COc1cc(cc(c1O)Cl)C(=O)CCCCCCCCCCCCO 1458a_100000209947_100009813331 [0,1,0,0,0,0|3,0,0]=4 224 B25R1.61410049 COc1cc(cc(c1O)O)C(=O)CCCCCCCCCCCCO 1458a_100000061230_100009813331 [0,1,0,0,0,0|2,0,0]=3 225 B25R1.61410049 COc1cc(cc(c1O)O)C(=O)CCCCCCOCCCCCO 1458a_100000061230_200132310570 [0,1,0,0,0,0|3,0,0]=4 226 B25R1.61410050 C=CCCCCCCCCCCCC(=O)c1cc(c(c(c1)O)OC)O 1458a_100000073573_102130925996 [0,1,0,0,0,0|1,0,2]=4 227 B25R1.61410050 CCCCCCCCCCCCCC(=O)c1cc(c(c(c1)O)OC)O 1458a_100000073573_100000210684 [0,1,0,0,0,0|1,0,0]=2 228 B25R1.61410050 CCCCCCCCCCCCNC(=O)c1cc(c(c(c1)Br)OC)O 240690a_100000210451_100010760816 [0,1,0,0,0,0|2,0,0]=3 229 B25R1.61410050 CCCCCCCCCCCCNC(=O)c1cc(c(c(c1)Br)OC)O 527a_100000210451_100010760816 [0,1,0,0,0,0|2,0,0]=3 230 B25R1.61410050 CCCCCCCCCCCCNC(=O)c1cc(c(c(c1)C)OC)C 11a_100000210451_100000696790 [0,1,0,0,0,0|3,0,0]=4 231 B25R1.61410050 CCCCCCCCCCCCNC(=O)c1cc(c(c(c1)C)OC)C 1626a_100000210451_100000696790 [0,1,0,0,0,0|3,0,0]=4 232 B25R1.61410050 CCCCCCCCCCCCNC(=O)c1cc(c(c(c1)C)OC)C 240690a_100000210451_100000696790 [0,1,0,0,0,0|3,0,0]=4 233 B25R1.61410050 CCCCCCCCCCCCNC(=O)c1cc(c(c(c1)C)OC)C 527a_100000210451_100000696790 [0,1,0,0,0,0|3,0,0]=4 234 B25R1.61410050 CCCCCCCCCCCCNC(=O)c1cc(c(c(c1)F)CO)F 11a_100000210451_200009844098 [0,1,0,0,0,0|3,0,0]=4 235 B25R1.61410050 CCCCCCCCCCCCNC(=O)c1cc(c(c(c1)F)CO)F 1626a_100000210451_200009844098 [0,1,0,0,0,0|3,0,0]=4 236 B25R1.61410050 CCCCCCCCCCCCNC(=O)c1cc(c(c(c1)F)CO)F 240690a_100000210451_200009844098 [0,1,0,0,0,0|3,0,0]=4 237 B25R1.61410050 CCCCCCCCCCCCNC(=O)c1cc(c(c(c1)F)CO)F 527a_100000210451_200009844098 [0,1,0,0,0,0|3,0,0]=4 238 B25R1.61410050 CCCCCCCCCCCCNC(=O)c1cc(c(c(c1)F)OC)F 11a_100000210451_100011216840 [0,1,0,0,0,0|3,0,0]=4 239 B25R1.61410050 CCCCCCCCCCCCNC(=O)c1cc(c(c(c1)F)OC)F 1626a_100000210451_100011216840 [0,1,0,0,0,0|3,0,0]=4 240 B25R1.61410050 CCCCCCCCCCCCNC(=O)c1cc(c(c(c1)F)OC)F 240690a_100000210451_100011216840 [0,1,0,0,0,0|3,0,0]=4 241 B25R1.61410050 CCCCCCCCCCCCNC(=O)c1cc(c(c(c1)F)OC)F 527a_100000210451_100011216840 [0,1,0,0,0,0|3,0,0]=4 242 B25R1.61410050 COc1c(cc(cc1Br)C(=O)CCCCCCCCCCCCO)O 1458a_100010760816_100009813331 [0,1,0,0,0,0|3,0,0]=4 243 B25R1.61410050 COc1c(cc(cc1O)C(=O)CCCCCCCCCCCCO)O 1458a_100000073573_100009813331 [0,1,0,0,0,0|2,0,0]=3 244 B25R1.61410050 COc1c(cc(cc1O)C(=O)CCCCCCOCCCCCO)O 1458a_100000073573_200132310570 [0,1,0,0,0,0|3,0,0]=4 245 B25R2.10517633 O=C(CCCCCCOC1CCCCO1)c2cc(c(c(c2)O)O)O 1458a_100000212154_100000033462 [0,0,0,1,0,0|3,0,0]=4 246 B25R2.141146615 CCCCCCCCCCc1noc(n1)c2cc(c(c(c2)O)O)O 270196a_200011216699_100000212154 [0,0,0,1,0,0|2,0,1]=4 247 B25R2.511165842 Cc1c(cc(cc1O)C(=O)NC2CCCCCCCCCCC2)O 240690a_100011194316_100000031928 [0,0,0,1,0,0|2,0,0]=3 248 B25R2.511165842 Cc1c(cc(cc1O)C(=O)NC2CCCCCCCCCCC2)O 527a_100011194316_100000031928 [0,0,0,1,0,0|2,0,0]=3 249 B25R2.511165842 Cc1cc(cc(c1O)C)C(=O)NC2CCCCCCCCCCC2 240690a_100011194316_100011219978 [0,0,0,1,0,0|3,0,0]=4 250 B25R2.511165842 Cc1cc(cc(c1O)C)C(=O)NC2CCCCCCCCCCC2 527a_100011194316_100011219978 [0,0,0,1,0,0|3,0,0]=4 251 B25R2.511165842 O=C(NC1CCCCCCCCCCC1)c2cc(c(c(c2)Br)O)O 240690a_100011194316_200009992764 [0,0,0,1,0,0|2,0,0]=3 252 B25R2.511165842 O=C(NC1CCCCCCCCCCC1)c2cc(c(c(c2)Cl)O)O 240690a_100011194316_200000078382 [0,0,0,1,0,0|2,0,0]=3 253 B25R2.511165842 O=C(NC1CCCCCCCCCCC1)c2cc(c(c(c2)F)F)O 240690a_100011194316_200000081825 [0,0,0,1,0,0|3,0,0]=4 254 B25R2.511165842 O=C(NC1CCCCCCCCCCC1)c2cc(c(c(c2)F)O)F 240690a_100011194316_100000766045 [0,0,0,1,0,0|3,0,0]=4 255 B25R2.511165842 O=C(NC1CCCCCCCCCCC1)c2cc(c(c(c2)F)O)F 527a_100011194316_100000766045 [0,0,0,1,0,0|3,0,0]=4 256 B25R2.511165842 O=C(NC1CCCCCCCCCCC1)c2cc(c(c(c2)O)Br)O 240690a_100011194316_100009812877 [0,0,0,1,0,0|2,0,0]=3 257 B25R2.511165842 O=C(NC1CCCCCCCCCCC1)c2cc(c(c(c2)O)Cl)O 240690a_100011194316_100000074654 [0,0,0,1,0,0|2,0,0]=3 258 B25R2.618541191 O=C1CCCCCCCCCCC1C(=O)c2cc(c(c(c2)O)O)O 1458a_100000212154_200009990614 [0,0,0,1,0,0|2,0,1]=4 259 B25R1.2774476 CCCCCCCCCCCCNC(=O)Cc1cc(c(c(c1)C)O)C 240690a_100000210451_200000099080 [0,0,0,0,0,1|3,0,0]=4 260 B25R1.2774476 CCCCCCCCCCCCNC(=O)Cc1cc(c(c(c1)C)O)C 527a_100000210451_200000099080 [0,0,0,0,0,1|3,0,0]=4 261 B25R1.2774476 CCCCCCCCCCCCNC(=O)Nc1cc(c(c(c1)F)O)F 2430a_100016987357_100000210451 [0,0,0,0,0,1|3,0,0]=4 262 B22R1.39620 OCCCCCCCCCCCSc1cc(c(c(c1)O)O)O 62a_100009812471_100010658518 [2,0,0,0,0,0|1,1,0]=4 263 B22R1.69639 CCCCCCCCCCCCCNc1cc(cc(c1)O)O 34a_100000043371_100000210684 [2,0,0,0,0,0|2,0,0]=4 264 B22R1.69639 CCCCCCCCCCCCNCc1cc(cc(c1)O)O 207a_100000210451_100000043415 [2,0,0,0,0,0|1,0,1]=4 265 B22R1.69639 CCCCCCCCCCCCNCc1cc(cc(c1)O)O 2230a_100159270720_100011215052 [2,0,0,0,0,0|1,0,1]=4 266 B22R1.69639 CCCCCCCCCCCCNCc1cc(cc(c1)O)O 34a_100159270720_100000759014 [2,0,0,0,0,0|1,0,1]=4 267 B22R1.1400797 CCCCCCCCCCCCCNc1ccc(c(c1)O)O 34a_100102946323_100000210684 [2,0,0,0,0,0|2,0,0]=4 268 B22R1.1400797 CCCCCCCCCCCCNCc1ccc(c(c1)O)O 34a_100000010075_100000759014 [2,0,0,0,0,0|1,0,1]=4 269 B22R1.2670 CCCCCCCCCCCCNC(=O)c1cccc(c1)C 11a_100000210451_100000189346 [2,0,0,0,0,0|2,0,0]=4 270 B22R1.2670 CCCCCCCCCCCCNC(=O)c1cccc(c1)C 1626a_100000210451_100000189346 [2,0,0,0,0,0|2,0,0]=4 271 B22R1.2670 CCCCCCCCCCCCNC(=O)c1cccc(c1)C 240690a_100000210451_100000189346 [2,0,0,0,0,0|2,0,0]=4 272 B22R1.2670 CCCCCCCCCCCCNC(=O)c1cccc(c1)C 527a_100000210451_100000189346 [2,0,0,0,0,0|2,0,0]=4 273 B22R1.2670 CCCCCCCCCCCCNC(=O)c1cccc(c1)Cl 11a_100000210451_100000210390 [2,0,0,0,0,0|2,0,0]=4 274 B22R1.2670 CCCCCCCCCCCCNC(=O)c1cccc(c1)Cl 1626a_100000210451_100000210390 [2,0,0,0,0,0|2,0,0]=4 275 B22R1.2670 CCCCCCCCCCCCNC(=O)c1cccc(c1)Cl 240690a_100000210451_100000210390 [2,0,0,0,0,0|2,0,0]=4 276 B22R1.2670 CCCCCCCCCCCCNC(=O)c1cccc(c1)Cl 527a_100000210451_100000210390 [2,0,0,0,0,0|2,0,0]=4 277 B22R1.2670 CCCCCCCCCCCCNC(=O)c1cccc(c1)F 11a_100000210451_100000210950 [2,0,0,0,0,0|2,0,0]=4 278 B22R1.2670 CCCCCCCCCCCCNC(=O)c1cccc(c1)F 1626a_100000210451_100000210950 [2,0,0,0,0,0|2,0,0]=4 279 B22R1.2670 CCCCCCCCCCCCNC(=O)c1cccc(c1)F 240690a_100000210451_100000210950 [2,0,0,0,0,0|2,0,0]=4 280 B22R1.2670 CCCCCCCCCCCCNC(=O)c1cccc(c1)F 527a_100000210451_100000210950 [2,0,0,0,0,0|2,0,0]=4 281 B22R1.2670 CCCCCCCCCCCCNC(=O)c1cccc(c1)I 11a_100000210451_100000184098 [2,0,0,0,0,0|2,0,0]=4 282 B22R1.2670 CCCCCCCCCCCCNC(=O)c1cccc(c1)I 1626a_100000210451_100000184098 [2,0,0,0,0,0|2,0,0]=4 283 B22R1.2670 CCCCCCCCCCCCNC(=O)c1cccc(c1)I 240690a_100000210451_100000184098 [2,0,0,0,0,0|2,0,0]=4 284 B22R1.2670 CCCCCCCCCCCCNC(=O)c1cccc(c1)I 527a_100000210451_100000184098 [2,0,0,0,0,0|2,0,0]=4 285 B22R1.2670 CCCCCCCCCCCCNC(=O)c1cccc(c1)O 240690a_100000210451_100000183914 [2,0,0,0,0,0|1,0,0]=3 286 B22R1.2670 CCCCCCCCCCCCNC(=O)c1cccc(c1)O 527a_100000210451_100000183914 [2,0,0,0,0,0|1,0,0]=3 287 B22R1.2670 CCCCCCCCCCCNCC(=O)c1cccc(c1)O 34a_200011215754_100009813753 [2,0,0,0,0,0|2,0,0]=4 288 B22R1.2670 CCCCCCCCCCCOCC(=O)c1cccc(c1)O 34a_100000210809_100009813753 [2,0,0,0,0,0|2,0,0]=4 289 B22R1.2670 CCCCCCCCCCCOCC(=O)c1cccc(c1)O 7a_100000210809_100009813753 [2,0,0,0,0,0|2,0,0]=4 290 B22R1.2670 CCCCCCCCCCCSCC(=O)c1cccc(c1)O 62a_100009813753_100011215454 [2,0,0,0,0,0|2,0,0]=4 291 B22R1.2670 O=C(CCCCCCCCCCCCO)c1cccc(c1)O 1458a_100000183914_100009813331 [2,0,0,0,0,0|2,0,0]=4 292 B22R1.21631 CCCCCCCCCCCNC(=O)c1cc(cc(c1)Br)O 240690a_200011215754_100011934545 [2,0,0,0,0,0|2,0,0]=4 293 B22R1.21631 CCCCCCCCCCCNC(=O)c1cc(cc(c1)Br)O 527a_200011215754_100011934545 [2,0,0,0,0,0|2,0,0]=4 294 B22R1.21631 CCCCCCCCCCCNC(=O)c1cc(cc(c1)Cl)O 240690a_200011215754_100011997059 [2,0,0,0,0,0|2,0,0]=4 295 B22R1.21631 CCCCCCCCCCCNC(=O)c1cc(cc(c1)Cl)O 527a_200011215754_100011997059 [2,0,0,0,0,0|2,0,0]=4 296 B22R1.21631 CCCCCCCCCCCNC(=O)c1cc(cc(c1)F)O 11a_200011215754_100012017291 [2,0,0,0,0,0|2,0,0]=4 297 B22R1.21631 CCCCCCCCCCCNC(=O)c1cc(cc(c1)F)O 240690a_200011215754_100012017291 [2,0,0,0,0,0|2,0,0]=4 298 B22R1.21631 CCCCCCCCCCCNC(=O)c1cc(cc(c1)F)O 527a_200011215754_100012017291 [2,0,0,0,0,0|2,0,0]=4 299 B22R1.21631 CCCCCCCCCCCNC(=O)c1cc(cc(c1)O)C 240690a_200011215754_100000094094 [2,0,0,0,0,0|2,0,0]=4 300 B22R1.21631 CCCCCCCCCCCNC(=O)c1cc(cc(c1)O)C 527a_200011215754_100000094094 [2,0,0,0,0,0|2,0,0]=4 301 B22R1.21631 CCCCCCCCCCCNC(=O)c1cc(cc(c1)O)O 240690a_200011215754_100000690292 [2,0,0,0,0,0|1,0,0]=3 302 B22R1.21631 CCCCCCCCCCCNC(=O)c1cc(cc(c1)O)O 527a_200011215754_100000690292 [2,0,0,0,0,0|1,0,0]=3 303 B22R1.21631 CCCCCCCCCCNCC(=O)c1cc(cc(c1)O)O 2230a_100000684558_100010006762 [2,0,0,0,0,0|1,0,0]=3 304 B22R1.21631 CCCCCCCCCCNCC(=O)c1cc(cc(c1)O)O 34a_100000684558_100010006762 [2,0,0,0,0,0|1,0,0]=3 305 B22R1.21631 CCCCCCCCCCOCC(=O)c1cc(cc(c1)O)O 34a_100000210711_100010006762 [2,0,0,0,0,0|1,0,0]=3 306 B22R1.21631 CCCCCCCCCCSCC(=O)c1cc(cc(c1)O)O 62a_100010006762_100000210320 [2,0,0,0,0,0|1,0,0]=3 307 B22R1.21631 Cc1cc(cc(c1)C(=O)CCCCCCCCCCCO)O 1458a_100000094094_100009812471 [2,0,0,0,0,0|2,0,0]=4 308 B22R1.21631 NCCCCCCCCCOCC(=O)c1cc(cc(c1)O)O 34a_100000078944_100010006762 [2,0,0,0,0,0|2,0,0]=4 309 B22R1.21631 O=C(CCCCCCCCCCCO)c1cc(cc(c1)Br)O 1458a_100011934545_100009812471 [2,0,0,0,0,0|2,0,0]=4 310 B22R1.21631 O=C(CCCCCCCCCCCO)c1cc(cc(c1)Cl)O 1458a_100011997059_100009812471 [2,0,0,0,0,0|2,0,0]=4 311 B22R1.21631 O=C(CCCCCCCCCCCO)c1cc(cc(c1)F)O 1458a_100012017291_100009812471 [2,0,0,0,0,0|2,0,0]=4 312 B22R1.21631 O=C(CNCCCCCCCCCO)c1cc(cc(c1)O)O 2230a_100000078944_100010006762 [2,0,0,0,0,0|2,0,0]=4 313 B22R1.21631 O=C(CNCCCCCCCCCO)c1cc(cc(c1)O)O 34a_100000078944_100010006762 [2,0,0,0,0,0|2,0,0]=4 314 B22R1.21631 O=C(COCCCCCCCCCBr)c1cc(cc(c1)O)O 34a_100009813782_100010006762 [2,0,0,0,0,0|2,0,0]=4 315 B22R1.21631 O=C(COCCCCCCCCCCl)c1cc(cc(c1)O)O 34a_100009868337_100010006762 [2,0,0,0,0,0|2,0,0]=4 316 B22R1.21631 O=C(CSCCCCCCCCCO)c1cc(cc(c1)O)O 62a_100009813782_100010006762 [2,0,0,0,0,0|2,0,0]=4 317 B22R1.21631 O=C(CSCCCCCCCCCO)c1cc(cc(c1)O)O 62a_100010006762_100009813782 [2,0,0,0,0,0|2,0,0]=4 318 B22R1.21631 O=C(NCCCCCCCCCCO)c1cc(cc(c1)O)O 240690a_100000066964_100000690292 [2,0,0,0,0,0|2,0,0]=4 319 B22R1.2669 CCCCCCCCCCCCNC(=O)c1ccc(cc1)C 11a_100000210451_100000188618 [2,0,0,0,0,0|2,0,0]=4 320 B22R1.2669 CCCCCCCCCCCCNC(=O)c1ccc(cc1)C 1626a_100000210451_100000188618 [2,0,0,0,0,0|2,0,0]=4 321 B22R1.2669 CCCCCCCCCCCCNC(=O)c1ccc(cc1)C 240690a_100000210451_100000188618 [2,0,0,0,0,0|2,0,0]=4 322 B22R1.2669 CCCCCCCCCCCCNC(=O)c1ccc(cc1)C 527a_100000210451_100000188618 [2,0,0,0,0,0|2,0,0]=4 323 B22R1.2669 CCCCCCCCCCCCNC(=O)c1ccc(cc1)Cl 11a_100000210451_100000210187 [2,0,0,0,0,0|2,0,0]=4 324 B22R1.2669 CCCCCCCCCCCCNC(=O)c1ccc(cc1)Cl 1626a_100000210451_100000210187 [2,0,0,0,0,0|2,0,0]=4 325 B22R1.2669 CCCCCCCCCCCCNC(=O)c1ccc(cc1)Cl 240690a_100000210451_100000210187 [2,0,0,0,0,0|2,0,0]=4 326 B22R1.2669 CCCCCCCCCCCCNC(=O)c1ccc(cc1)Cl 527a_100000210451_100000210187 [2,0,0,0,0,0|2,0,0]=4 327 B22R1.2669 CCCCCCCCCCCCNC(=O)c1ccc(cc1)F 11a_100000210451_100000187176 [2,0,0,0,0,0|2,0,0]=4 328 B22R1.2669 CCCCCCCCCCCCNC(=O)c1ccc(cc1)F 1626a_100000210451_100000187176 [2,0,0,0,0,0|2,0,0]=4 329 B22R1.2669 CCCCCCCCCCCCNC(=O)c1ccc(cc1)F 240690a_100000210451_100000187176 [2,0,0,0,0,0|2,0,0]=4 330 B22R1.2669 CCCCCCCCCCCCNC(=O)c1ccc(cc1)F 527a_100000210451_100000187176 [2,0,0,0,0,0|2,0,0]=4 331 B22R1.2669 CCCCCCCCCCCCNC(=O)c1ccc(cc1)I 11a_100000210451_100000187904 [2,0,0,0,0,0|2,0,0]=4 332 B22R1.2669 CCCCCCCCCCCCNC(=O)c1ccc(cc1)I 1626a_100000210451_100000187904 [2,0,0,0,0,0|2,0,0]=4 333 B22R1.2669 CCCCCCCCCCCCNC(=O)c1ccc(cc1)I 240690a_100000210451_100000187904 [2,0,0,0,0,0|2,0,0]=4 334 B22R1.2669 CCCCCCCCCCCCNC(=O)c1ccc(cc1)I 527a_100000210451_100000187904 [2,0,0,0,0,0|2,0,0]=4 335 B22R1.2669 CCCCCCCCCCCCNC(=O)c1ccc(cc1)O 240690a_100000210451_100000212099 [2,0,0,0,0,0|1,0,0]=3 336 B22R1.2669 CCCCCCCCCCCCNC(=O)c1ccc(cc1)O 527a_100000210451_100000212099 [2,0,0,0,0,0|1,0,0]=3 337 B22R1.2669 CCCCCCCCCCCNCC(=O)c1ccc(cc1)O 34a_200011215754_100009814261 [2,0,0,0,0,0|2,0,0]=4 338 B22R1.2669 CCCCCCCCCCCOCC(=O)c1ccc(cc1)O 34a_100000210809_100009814261 [2,0,0,0,0,0|2,0,0]=4 339 B22R1.2669 CCCCCCCCCCCOCC(=O)c1ccc(cc1)O 7a_100000210809_100000018856 [2,0,0,0,0,0|2,0,0]=4 340 B22R1.2669 CCCCCCCCCCCSCC(=O)c1ccc(cc1)O 62a_100009814261_100011215454 [2,0,0,0,0,0|2,0,0]=4 341 B22R1.2669 CCCCCCCCCCNCCC(=O)c1ccc(cc1)O 2230a_100000684558_100009879949 [2,0,0,0,0,0|2,0,0]=4 342 B22R1.2669 CCCCCCCCCCOCCC(=O)c1ccc(cc1)O 7a_100000210711_100009879949 [2,0,0,0,0,0|2,0,0]=4 343 B22R1.2669 CCCCCCCCCNCCCC(=O)c1ccc(cc1)O 2230a_100000212291_100000039620 [2,0,0,0,0,0|2,0,0]=4 344 B22R1.2669 CCCCCCCCCOCCCC(=O)c1ccc(cc1)O 7a_100000210712_100000039620 [2,0,0,0,0,0|2,0,0]=4 345 B22R1.2669 CCCCCCCCCOCCOC(=O)c1ccc(cc1)C 7a_200000031072_100000210328 [2,0,0,0,0,0|2,0,0]=4 346 B22R1.2669 O=C(CCCCCCCCCCCCO)c1ccc(cc1)O 1458a_100000212099_100009813331 [2,0,0,0,0,0|2,0,0]=4 347 B22R1.21649 C=CCCCCCCCCCCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100011093070 [2,0,0,0,0,0|0,0,2]=4 348 B22R1.21649 CCCCC#CCCCCCCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_200000043322 [2,0,0,0,0,0|0,0,2]=4 349 B22R1.21649 CCCCCCCCCCCCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000759014 [2,0,0,0,0,0|0,0,0]=2 350 B22R1.21649 CCCCCCCCCCCNC(=O)c1ccc(c(c1)Br)O 240690a_200011215754_100000189672 [2,0,0,0,0,0|2,0,0]=4 351 B22R1.21649 CCCCCCCCCCCNC(=O)c1ccc(c(c1)C)O 240690a_200011215754_100000685612 [2,0,0,0,0,0|2,0,0]=4 352 B22R1.21649 CCCCCCCCCCCNC(=O)c1ccc(c(c1)Cl)O 240690a_200011215754_100000212196 [2,0,0,0,0,0|2,0,0]=4 353 B22R1.21649 CCCCCCCCCCCNC(=O)c1ccc(c(c1)Cl)O 527a_200011215754_100000212196 [2,0,0,0,0,0|2,0,0]=4 354 B22R1.21649 CCCCCCCCCCCNC(=O)c1ccc(c(c1)F)O 240690a_200011215754_100000185466 [2,0,0,0,0,0|2,0,0]=4 355 B22R1.21649 CCCCCCCCCCCNC(=O)c1ccc(c(c1)F)O 527a_200011215754_100000185466 [2,0,0,0,0,0|2,0,0]=4 356 B22R1.21649 CCCCCCCCCCCNC(=O)c1ccc(c(c1)I)O 1626a_200011215754_100000037485 [2,0,0,0,0,0|2,0,0]=4 357 B22R1.21649 CCCCCCCCCCCNC(=O)c1ccc(c(c1)I)O 240690a_200011215754_100000037485 [2,0,0,0,0,0|2,0,0]=4 358 B22R1.21649 CCCCCCCCCCCNC(=O)c1ccc(c(c1)O)Br 240690a_200011215754_100000689001 [2,0,0,0,0,0|2,0,0]=4 359 B22R1.21649 CCCCCCCCCCCNC(=O)c1ccc(c(c1)O)Br 527a_200011215754_100000689001 [2,0,0,0,0,0|2,0,0]=4 360 B22R1.21649 CCCCCCCCCCCNC(=O)c1ccc(c(c1)O)C 240690a_200011215754_100000233767 [2,0,0,0,0,0|2,0,0]=4 361 B22R1.21649 CCCCCCCCCCCNC(=O)c1ccc(c(c1)O)Cl 240690a_200011215754_100011933997 [2,0,0,0,0,0|2,0,0]=4 362 B22R1.21649 CCCCCCCCCCCNC(=O)c1ccc(c(c1)O)Cl 527a_200011215754_100011933997 [2,0,0,0,0,0|2,0,0]=4 363 B22R1.21649 CCCCCCCCCCCNC(=O)c1ccc(c(c1)O)F 240690a_200011215754_100000035894 [2,0,0,0,0,0|2,0,0]=4 364 B22R1.21649 CCCCCCCCCCCNC(=O)c1ccc(c(c1)O)F 527a_200011215754_100000035894 [2,0,0,0,0,0|2,0,0]=4 365 B22R1.21649 CCCCCCCCCCCNC(=O)c1ccc(c(c1)O)I 1626a_200011215754_100000239334 [2,0,0,0,0,0|2,0,0]=4 366 B22R1.21649 CCCCCCCCCCCNC(=O)c1ccc(c(c1)O)I 240690a_200011215754_100000239334 [2,0,0,0,0,0|2,0,0]=4 367 B22R1.21649 CCCCCCCCCCCNC(=O)c1ccc(c(c1)O)I 527a_200011215754_100000239334 [2,0,0,0,0,0|2,0,0]=4 368 B22R1.21649 CCCCCCCCCCOCC(=O)c1ccc(c(c1)Cl)O 7a_100000210711_200010170092 [2,0,0,0,0,0|2,0,0]=4 369 B22R1.21649 CCCCCCCCCCOCC(=O)c1ccc(c(c1)O)O 7a_100000210711_100000183813 [2,0,0,0,0,0|1,0,0]=3 370 B22R1.21649 Cc1cc(ccc1O)C(=O)CCCCCCCCCCCO 1458a_100000685612_100009812471 [2,0,0,0,0,0|2,0,0]=4 371 B22R1.21649 Cc1ccc(cc1O)C(=O)CCCCCCCCCCCO 1458a_100000233767_100009812471 [2,0,0,0,0,0|2,0,0]=4 372 B22R1.21649 O=C(CCCCCCCCCCCO)c1ccc(c(c1)Br)O 1458a_100000189672_100009812471 [2,0,0,0,0,0|2,0,0]=4 373 B22R1.21649 O=C(CCCCCCCCCCCO)c1ccc(c(c1)Cl)O 1458a_100000212196_100009812471 [2,0,0,0,0,0|2,0,0]=4 374 B22R1.21649 O=C(CCCCCCCCCCCO)c1ccc(c(c1)F)O 1458a_100000185466_100009812471 [2,0,0,0,0,0|2,0,0]=4 375 B22R1.21649 O=C(CCCCCCCCCCCO)c1ccc(c(c1)I)O 1458a_100000037485_100009812471 [2,0,0,0,0,0|2,0,0]=4 376 B22R1.21649 O=C(CCCCCCCCCCCO)c1ccc(c(c1)O)Br 1458a_100000689001_100009812471 [2,0,0,0,0,0|2,0,0]=4 377 B22R1.21649 O=C(CCCCCCCCCCCO)c1ccc(c(c1)O)Cl 1458a_100011933997_100009812471 [2,0,0,0,0,0|2,0,0]=4 378 B22R1.21649 O=C(CCCCCCCCCCCO)c1ccc(c(c1)O)F 1458a_100000035894_100009812471 [2,0,0,0,0,0|2,0,0]=4 379 B22R1.21649 O=C(CCCCCCCCCCCO)c1ccc(c(c1)O)I 1458a_100000239334_100009812471 [2,0,0,0,0,0|2,0,0]=4 380 B22R1.21649 O=C(CCCCCCCCCCCO)c1ccc(c(c1)O)O 1458a_100000212155_100009812471 [2,0,0,0,0,0|1,0,0]=3 381 B22R1.21649 O=C(COCCCCCCCCCBr)c1ccc(c(c1)O)O 7a_100009813782_100000183813 [2,0,0,0,0,0|2,0,0]=4 382 B22R1.21649 O=C(COCCCCCCCCCCl)c1ccc(c(c1)O)O 7a_100009868337_100000183813 [2,0,0,0,0,0|2,0,0]=4 383 B22R1.21649 O=C(CSCCCCCCCCCO)c1ccc(c(c1)O)O 62a_100009813782_100000183813 [2,0,0,0,0,0|2,0,0]=4 384 B22R1.521769 C=CCCCCCCCCCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100009814027 [2,0,0,0,0,0|0,0,2]=4 385 B22R1.521769 CCCCCCCCCCCC(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100011215454 [2,0,0,0,0,0|1,0,0]=3 386 B22R1.521769 CCCCCCCCCCCC(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100011215454 [2,0,0,0,0,0|1,0,0]=3 387 B22R1.521769 CCCCCCCCCCCC(=O)c1cc(c(c(c1)F)F)O 1458a_200000081825_100011215454 [2,0,0,0,0,0|2,0,0]=4 388 B22R1.521769 CCCCCCCCCCCC(=O)c1cc(c(c(c1)F)O)F 1458a_100000766045_100011215454 [2,0,0,0,0,0|2,0,0]=4 389 B22R1.521769 CCCCCCCCCCCC(=O)c1cc(c(c(c1)O)C)O 1458a_100000031928_100011215454 [2,0,0,0,0,0|1,0,0]=3 390 B22R1.521769 CCCCCCCCCCCC(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_100011215454 [2,0,0,0,0,0|1,0,0]=3 391 B22R1.521769 CCCCCCCCCCCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100011215454 [2,0,0,0,0,0|0,0,0]=2 392 B22R1.521769 CCCCCCCCCCNC(=O)c1cc(c(c(c1)Br)O)O 240690a_100000684558_200009992764 [2,0,0,0,0,0|2,0,0]=4 393 B22R1.521769 CCCCCCCCCCNC(=O)c1cc(c(c(c1)Cl)O)O 240690a_100000684558_200000078382 [2,0,0,0,0,0|2,0,0]=4 394 B22R1.521769 CCCCCCCCCCNC(=O)c1cc(c(c(c1)O)Br)O 240690a_100000684558_100009812877 [2,0,0,0,0,0|2,0,0]=4 395 B22R1.521769 CCCCCCCCCCNC(=O)c1cc(c(c(c1)O)C)O 240690a_100000684558_100000031928 [2,0,0,0,0,0|2,0,0]=4 396 B22R1.521769 CCCCCCCCCCNC(=O)c1cc(c(c(c1)O)C)O 527a_100000684558_100000031928 [2,0,0,0,0,0|2,0,0]=4 397 B22R1.521769 CCCCCCCCCCNC(=O)c1cc(c(c(c1)O)Cl)O 240690a_100000684558_100000074654 [2,0,0,0,0,0|2,0,0]=4 398 B22R1.521769 Cc1c(cc(cc1O)C(=O)CCCCCCCCCCO)O 1458a_100000031928_100009813290 [2,0,0,0,0,0|2,0,0]=4 399 B22R1.521769 O=C(CCCCCCCCCCO)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100009813290 [2,0,0,0,0,0|2,0,0]=4 400 B22R1.521769 O=C(CCCCCCCCCCO)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100009813290 [2,0,0,0,0,0|2,0,0]=4 401 B22R1.521769 O=C(CCCCCCCCCCO)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_100009813290 [2,0,0,0,0,0|2,0,0]=4 402 B22R1.521769 O=C(CCCCCCCCCCO)c1cc(c(c(c1)O)O)O 1458a_100000212154_100009813290 [2,0,0,0,0,0|1,0,0]=3 403 B24R1.63069 OCCCCCCCCCCCCCSc1cc(c(c(c1)O)O)O 62a_100009812470_100010658518 [1,1,0,0,0,0|2,0,0]=4 404 B24R1.2794872 CCCCCCCCCCCCNC(=O)c1cc(cc(c1)CO)Cl 240690a_100000210451_100009925505 [1,1,0,0,0,0|2,0,0]=4 405 B24R1.2794872 CCCCCCCCCCCCNC(=O)c1cc(cc(c1)CO)F 240690a_100000210451_100012278920 [1,1,0,0,0,0|2,0,0]=4 406 B24R1.2794872 CCCCCCCCCCCCNC(=O)c1cc(cc(c1)OC)C 11a_100000210451_100000117910 [1,1,0,0,0,0|2,0,0]=4 407 B24R1.2794872 CCCCCCCCCCCCNC(=O)c1cc(cc(c1)OC)C 1626a_100000210451_100000117910 [1,1,0,0,0,0|2,0,0]=4 408 B24R1.2794872 CCCCCCCCCCCCNC(=O)c1cc(cc(c1)OC)C 240690a_100000210451_100000117910 [1,1,0,0,0,0|2,0,0]=4 409 B24R1.2794872 CCCCCCCCCCCCNC(=O)c1cc(cc(c1)OC)C 527a_100000210451_100000117910 [1,1,0,0,0,0|2,0,0]=4 410 B24R1.2794872 CCCCCCCCCCCCNC(=O)c1cc(cc(c1)OC)F 11a_100000210451_100011934639 [1,1,0,0,0,0|2,0,0]=4 411 B24R1.2794872 CCCCCCCCCCCCNC(=O)c1cc(cc(c1)OC)F 1626a_100000210451_100011934639 [1,1,0,0,0,0|2,0,0]=4 412 B24R1.2794872 CCCCCCCCCCCCNC(=O)c1cc(cc(c1)OC)F 240690a_100000210451_100011934639 [1,1,0,0,0,0|2,0,0]=4 413 B24R1.2794872 CCCCCCCCCCCCNC(=O)c1cc(cc(c1)OC)F 527a_100000210451_100011934639 [1,1,0,0,0,0|2,0,0]=4 414 B24R1.2794872 CCCCCCCCCCCCNC(=O)c1cc(cc(c1)OC)I 11a_100000210451_200010292657 [1,1,0,0,0,0|2,0,0]=4 415 B24R1.2794872 CCCCCCCCCCCCNC(=O)c1cc(cc(c1)OC)I 1626a_100000210451_200010292657 [1,1,0,0,0,0|2,0,0]=4 416 B24R1.2794872 CCCCCCCCCCCCNC(=O)c1cc(cc(c1)OC)I 240690a_100000210451_200010292657 [1,1,0,0,0,0|2,0,0]=4 417 B24R1.2794872 CCCCCCCCCCCCNC(=O)c1cc(cc(c1)OC)I 527a_100000210451_200010292657 [1,1,0,0,0,0|2,0,0]=4 418 B24R1.2794872 CCCCCCCCCCCCNC(=O)c1cc(cc(c1)OC)O 240690a_100000210451_100000083963 [1,1,0,0,0,0|1,0,0]=3 419 B24R1.2794872 CCCCCCCCCCCCNC(=O)c1cc(cc(c1)OC)O 527a_100000210451_100000083963 [1,1,0,0,0,0|1,0,0]=3 420 B24R1.2794872 COc1cc(cc(c1)C(=O)CCCCCCCCCCCCO)O 1458a_100000083963_100009813331 [1,1,0,0,0,0|2,0,0]=4 421 B24R1.2874930 CCCCCCCCCCC(C)OCC(=O)c1cc(cc(c1)O)O 34a_100011215000_100010006762 [1,1,0,0,0,0|2,0,0]=4 422 B24R1.2875114 CCCCCCCCCCCCN(C)C(=O)c1cc(cc(c1)F)O 11a_100000227908_100012017291 [1,1,0,0,0,0|2,0,0]=4 423 B24R1.2875114 CCCCCCCCCCCCN(C)C(=O)c1cc(cc(c1)F)O 240690a_100000227908_100012017291 [1,1,0,0,0,0|2,0,0]=4 424 B24R1.2875114 CCCCCCCCCCCCN(C)C(=O)c1cc(cc(c1)F)O 527a_100000227908_100012017291 [1,1,0,0,0,0|2,0,0]=4 425 B24R1.2875114 CCCCCCCCCCCCN(C)C(=O)c1cc(cc(c1)O)C 240690a_100000227908_100000094094 [1,1,0,0,0,0|2,0,0]=4 426 B24R1.2875114 CCCCCCCCCCCCN(C)C(=O)c1cc(cc(c1)O)C 527a_100000227908_100000094094 [1,1,0,0,0,0|2,0,0]=4 427 B24R1.2875114 CCCCCCCCCCCCN(C)C(=O)c1cc(cc(c1)O)O 240690a_100000227908_100000690292 [1,1,0,0,0,0|1,0,0]=3 428 B24R1.2875114 CCCCCCCCCCCCN(C)C(=O)c1cc(cc(c1)O)O 527a_100000227908_100000690292 [1,1,0,0,0,0|1,0,0]=3 429 B24R1.3068159 C#CCCCCCCCCCCOCC(=O)c1cc(cc(c1)O)O 34a_100000054667_100010006762 [1,1,0,0,0,0|0,0,2]=4 430 B24R1.3068159 CCC#CCCCCCCCCOCC(=O)c1cc(cc(c1)O)O 34a_200000031908_100010006762 [1,1,0,0,0,0|0,0,2]=4 431 B24R1.3068159 CCCCCCCCC/C=C/COCC(=O)c1cc(cc(c1)O)O 34a_100015232335_100010006762 [1,1,0,0,0,0|0,0,2]=4 432 B24R1.3068159 CCCCCCCCCCCCCNC(=O)c1cc(cc(c1)F)O 11a_100011215765_100012017291 [1,1,0,0,0,0|2,0,0]=4 433 B24R1.3068159 CCCCCCCCCCCCCNC(=O)c1cc(cc(c1)F)O 240690a_100011215765_100012017291 [1,1,0,0,0,0|2,0,0]=4 434 B24R1.3068159 CCCCCCCCCCCCCNC(=O)c1cc(cc(c1)F)O 527a_100011215765_100012017291 [1,1,0,0,0,0|2,0,0]=4 435 B24R1.3068159 CCCCCCCCCCCCCNC(=O)c1cc(cc(c1)O)C 240690a_100011215765_100000094094 [1,1,0,0,0,0|2,0,0]=4 436 B24R1.3068159 CCCCCCCCCCCCCNC(=O)c1cc(cc(c1)O)C 527a_100011215765_100000094094 [1,1,0,0,0,0|2,0,0]=4 437 B24R1.3068159 CCCCCCCCCCCCCNC(=O)c1cc(cc(c1)O)O 240690a_100011215765_100000690292 [1,1,0,0,0,0|1,0,0]=3 438 B24R1.3068159 CCCCCCCCCCCCCNC(=O)c1cc(cc(c1)O)O 527a_100011215765_100000690292 [1,1,0,0,0,0|1,0,0]=3 439 B24R1.3068159 CCCCCCCCCCCCNCC(=O)c1cc(cc(c1)O)O 2230a_100000210451_100010006762 [1,1,0,0,0,0|1,0,0]=3 440 B24R1.3068159 CCCCCCCCCCCCNCC(=O)c1cc(cc(c1)O)O 34a_100000210451_100010006762 [1,1,0,0,0,0|1,0,0]=3 441 B24R1.3068159 CCCCCCCCCCCCOCC(=O)c1cc(cc(c1)O)O 34a_100000210810_100010006762 [1,1,0,0,0,0|0,0,0]=2 442 B24R1.3068159 CCCCCCCCCCCCSCC(=O)c1cc(cc(c1)O)O 62a_100010006762_100000759014 [1,1,0,0,0,0|0,1,0]=3 443 B24R1.3068159 CCCCCCOCCOCCOCC(=O)c1cc(cc(c1)O)O 34a_100000032842_100010006762 [1,1,0,0,0,0|2,0,0]=4 444 B24R1.3068159 CCOCCCCCCCCCOCC(=O)c1cc(cc(c1)O)O 34a_100009875440_100010006762 [1,1,0,0,0,0|1,0,0]=3 445 B24R1.3068159 Cc1cc(cc(c1)C(=O)CCCCCCCCCCCCCO)O 1458a_100000094094_100009812470 [1,1,0,0,0,0|2,0,0]=4 446 B24R1.3068159 Cc1cc(cc(c1)C(=O)NCCCCCCCCCCCCO)O 240690a_100000066677_100000094094 [1,1,0,0,0,0|2,0,0]=4 447 B24R1.3068159 O=C(CCCCCCCCCCCCCO)c1cc(cc(c1)Cl)O 1458a_100011997059_100009812470 [1,1,0,0,0,0|2,0,0]=4 448 B24R1.3068159 O=C(CCCCCCCCCCCCCO)c1cc(cc(c1)F)O 1458a_100012017291_100009812470 [1,1,0,0,0,0|2,0,0]=4 449 B24R1.3068159 O=C(COCCCCCCCCCCCBr)c1cc(cc(c1)O)O 34a_100009812471_100010006762 [1,1,0,0,0,0|1,0,0]=3 450 B24R1.3068159 O=C(CSCCCCCCCCCCCO)c1cc(cc(c1)O)O 62a_100009812471_100010006762 [1,1,0,0,0,0|1,1,0]=4 451 B24R1.3068159 O=C(NCCCCCCCCCCCCO)c1cc(cc(c1)Br)O 240690a_100000066677_100011934545 [1,1,0,0,0,0|2,0,0]=4 452 B24R1.3068159 O=C(NCCCCCCCCCCCCO)c1cc(cc(c1)Cl)O 240690a_100000066677_100011997059 [1,1,0,0,0,0|2,0,0]=4 453 B24R1.3068159 O=C(NCCCCCCCCCCCCO)c1cc(cc(c1)F)O 240690a_100000066677_100012017291 [1,1,0,0,0,0|2,0,0]=4 454 B24R1.3068159 O=C(NCCCCCCCCCCCCO)c1cc(cc(c1)O)O 240690a_100000066677_100000690292 [1,1,0,0,0,0|1,0,0]=3 455 B24R1.2794899 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)CO)Br 1626a_100000210451_100010218026 [1,1,0,0,0,0|2,0,0]=4 456 B24R1.2794899 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)CO)Br 240690a_100000210451_100010218026 [1,1,0,0,0,0|2,0,0]=4 457 B24R1.2794899 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)CO)F 1626a_100000210451_100011803322 [1,1,0,0,0,0|2,0,0]=4 458 B24R1.2794899 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)CO)F 240690a_100000210451_100011803322 [1,1,0,0,0,0|2,0,0]=4 459 B24R1.2794899 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)OC)C 11a_100000210451_100000212341 [1,1,0,0,0,0|2,0,0]=4 460 B24R1.2794899 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)OC)C 1626a_100000210451_100000212341 [1,1,0,0,0,0|2,0,0]=4 461 B24R1.2794899 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)OC)C 240690a_100000210451_100000212341 [1,1,0,0,0,0|2,0,0]=4 462 B24R1.2794899 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)OC)C 527a_100000210451_100000212341 [1,1,0,0,0,0|2,0,0]=4 463 B24R1.2794899 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)OC)F 11a_100000210451_100000757635 [1,1,0,0,0,0|2,0,0]=4 464 B24R1.2794899 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)OC)F 1626a_100000210451_100000757635 [1,1,0,0,0,0|2,0,0]=4 465 B24R1.2794899 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)OC)F 240690a_100000210451_100000757635 [1,1,0,0,0,0|2,0,0]=4 466 B24R1.2794899 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)OC)F 527a_100000210451_100000757635 [1,1,0,0,0,0|2,0,0]=4 467 B24R1.2794899 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)OC)I 11a_100000210451_100012356290 [1,1,0,0,0,0|2,0,0]=4 468 B24R1.2794899 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)OC)I 1626a_100000210451_100012356290 [1,1,0,0,0,0|2,0,0]=4 469 B24R1.2794899 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)OC)I 240690a_100000210451_100012356290 [1,1,0,0,0,0|2,0,0]=4 470 B24R1.2794899 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)OC)I 527a_100000210451_100012356290 [1,1,0,0,0,0|2,0,0]=4 471 B24R1.2794899 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)OC)O 240690a_100000210451_100000687070 [1,1,0,0,0,0|1,0,0]=3 472 B24R1.2794899 CCCCCCCCCCCNCC(=O)c1ccc(c(c1)CO)O 34a_200011215754_100010262812 [1,1,0,0,0,0|2,0,0]=4 473 B24R1.2794899 CCCCCCCCCCCOCC(=O)c1ccc(c(c1)CO)O 34a_100000210809_100010262812 [1,1,0,0,0,0|2,0,0]=4 474 B24R1.2794899 CCCCCCCCCCCOCC(=O)c1ccc(c(c1)CO)O 7a_100000210809_100010262812 [1,1,0,0,0,0|2,0,0]=4 475 B24R1.2794899 CCCCCCCCCCCOCC(=O)c1ccc(c(c1)OC)O 7a_100000210809_100010206313 [1,1,0,0,0,0|2,0,0]=4 476 B24R1.2794899 CCCCCCCCCCCSCC(=O)c1ccc(c(c1)CO)O 62a_100010262812_100011215454 [1,1,0,0,0,0|2,0,0]=4 477 B24R1.2794899 CCCCCCCCCCCSCC(=O)c1ccc(c(c1)OC)O 62a_100010206313_100011215454 [1,1,0,0,0,0|2,0,0]=4 478 B24R1.2794899 COc1cc(ccc1O)C(=O)CCCCCCCCCCCCO 1458a_100000687070_100009813331 [1,1,0,0,0,0|2,0,0]=4 479 B24R1.2794901 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)C)OC 11a_100000210451_100011202886 [1,1,0,0,0,0|2,0,0]=4 480 B24R1.2794901 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)C)OC 1626a_100000210451_100011202886 [1,1,0,0,0,0|2,0,0]=4 481 B24R1.2794901 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)C)OC 240690a_100000210451_100011202886 [1,1,0,0,0,0|2,0,0]=4 482 B24R1.2794901 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)C)OC 527a_100000210451_100011202886 [1,1,0,0,0,0|2,0,0]=4 483 B24R1.2794901 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)F)CO 1626a_100000210451_100000687192 [1,1,0,0,0,0|2,0,0]=4 484 B24R1.2794901 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)F)CO 240690a_100000210451_100000687192 [1,1,0,0,0,0|2,0,0]=4 485 B24R1.2794901 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)F)OC 11a_100000210451_100000186160 [1,1,0,0,0,0|2,0,0]=4 486 B24R1.2794901 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)F)OC 1626a_100000210451_100000186160 [1,1,0,0,0,0|2,0,0]=4 487 B24R1.2794901 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)F)OC 240690a_100000210451_100000186160 [1,1,0,0,0,0|2,0,0]=4 488 B24R1.2794901 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)F)OC 527a_100000210451_100000186160 [1,1,0,0,0,0|2,0,0]=4 489 B24R1.2794901 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)I)OC 11a_100000210451_100000188716 [1,1,0,0,0,0|2,0,0]=4 490 B24R1.2794901 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)I)OC 1626a_100000210451_100000188716 [1,1,0,0,0,0|2,0,0]=4 491 B24R1.2794901 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)I)OC 240690a_100000210451_100000188716 [1,1,0,0,0,0|2,0,0]=4 492 B24R1.2794901 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)I)OC 527a_100000210451_100000188716 [1,1,0,0,0,0|2,0,0]=4 493 B24R1.2794901 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)O)CC 240690a_100000210451_100000089006 [1,1,0,0,0,0|2,0,0]=4 494 B24R1.2794901 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)O)CC 527a_100000210451_100000089006 [1,1,0,0,0,0|2,0,0]=4 495 B24R1.2794901 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)O)OC 240690a_100000210451_100000766810 [1,1,0,0,0,0|1,0,0]=3 496 B24R1.2794901 CCCCCCCCCCCCNC(=O)c1ccc(c(c1)O)OC 527a_100000210451_100000766810 [1,1,0,0,0,0|1,0,0]=3 497 B24R1.2794901 COc1ccc(cc1O)C(=O)CCCCCCCCCCCCO 1458a_100000766810_100009813331 [1,1,0,0,0,0|2,0,0]=4 498 B24R1.2874947 CCCCCCCCCCC(C)OCC(=O)c1ccc(c(c1)O)O 7a_100011215000_100000183813 [1,1,0,0,0,0|2,0,0]=4 499 B24R1.2875130 CCCCCCCCCCCCN(C)C(=O)c1ccc(c(c1)C)O 240690a_100000227908_100000685612 [1,1,0,0,0,0|2,0,0]=4 500 B24R1.2875130 CCCCCCCCCCCCN(C)C(=O)c1ccc(c(c1)F)O 240690a_100000227908_100000185466 [1,1,0,0,0,0|2,0,0]=4 501 B24R1.2875130 CCCCCCCCCCCCN(C)C(=O)c1ccc(c(c1)F)O 527a_100000227908_100000185466 [1,1,0,0,0,0|2,0,0]=4 502 B24R1.2875130 CCCCCCCCCCCCN(C)C(=O)c1ccc(c(c1)I)O 1626a_100000227908_100000037485 [1,1,0,0,0,0|2,0,0]=4 503 B24R1.2875130 CCCCCCCCCCCCN(C)C(=O)c1ccc(c(c1)I)O 240690a_100000227908_100000037485 [1,1,0,0,0,0|2,0,0]=4 504 B24R1.2875130 CCCCCCCCCCCCN(C)C(=O)c1ccc(c(c1)O)C 240690a_100000227908_100000233767 [1,1,0,0,0,0|2,0,0]=4 505 B24R1.2875130 CCCCCCCCCCCCN(C)C(=O)c1ccc(c(c1)O)F 240690a_100000227908_100000035894 [1,1,0,0,0,0|2,0,0]=4 506 B24R1.2875130 CCCCCCCCCCCCN(C)C(=O)c1ccc(c(c1)O)F 527a_100000227908_100000035894 [1,1,0,0,0,0|2,0,0]=4 507 B24R1.2875130 CCCCCCCCCCCCN(C)C(=O)c1ccc(c(c1)O)I 1626a_100000227908_100000239334 [1,1,0,0,0,0|2,0,0]=4 508 B24R1.2875130 CCCCCCCCCCCCN(C)C(=O)c1ccc(c(c1)O)I 240690a_100000227908_100000239334 [1,1,0,0,0,0|2,0,0]=4 509 B24R1.2875130 CCCCCCCCCCCCN(C)C(=O)c1ccc(c(c1)O)I 527a_100000227908_100000239334 [1,1,0,0,0,0|2,0,0]=4 510 B24R1.3066012 CCCCCCCCCCCC(=O)CC(=O)c1ccc(c(c1)O)O 1458a_100000210736_100000183813 [1,1,0,0,0,0|1,0,1]=4 511 B24R1.3068175 C#CCCCCCCCCCCOCC(=O)c1ccc(c(c1)O)O 7a_100000054667_100000183813 [1,1,0,0,0,0|0,0,2]=4 512 B24R1.3068175 CCC#CCCCCCCCCOCC(=O)c1ccc(c(c1)O)O 7a_200000031908_100000183813 [1,1,0,0,0,0|0,0,2]=4 513 B24R1.3068175 CCCCCCCCC/C=C/COCC(=O)c1ccc(c(c1)O)O 7a_100015232335_100000183813 [1,1,0,0,0,0|0,0,2]=4 514 B24R1.3068175 CCCCCCCCCCCCCNC(=O)c1ccc(c(c1)C)O 240690a_100011215765_100000685612 [1,1,0,0,0,0|2,0,0]=4 515 B24R1.3068175 CCCCCCCCCCCCCNC(=O)c1ccc(c(c1)F)O 240690a_100011215765_100000185466 [1,1,0,0,0,0|2,0,0]=4 516 B24R1.3068175 CCCCCCCCCCCCCNC(=O)c1ccc(c(c1)F)O 527a_100011215765_100000185466 [1,1,0,0,0,0|2,0,0]=4 517 B24R1.3068175 CCCCCCCCCCCCCNC(=O)c1ccc(c(c1)O)C 240690a_100011215765_100000233767 [1,1,0,0,0,0|2,0,0]=4 518 B24R1.3068175 CCCCCCCCCCCCCNC(=O)c1ccc(c(c1)O)F 240690a_100011215765_100000035894 [1,1,0,0,0,0|2,0,0]=4 519 B24R1.3068175 CCCCCCCCCCCCCNC(=O)c1ccc(c(c1)O)F 527a_100011215765_100000035894 [1,1,0,0,0,0|2,0,0]=4 520 B24R1.3068175 CCCCCCCCCCCCOCC(=O)c1ccc(c(c1)O)O 7a_100000210810_100000183813 [1,1,0,0,0,0|0,0,0]=2 521 B24R1.3068175 CCCCCCCCCOCCCOC(=O)c1ccc(c(c1)F)F 34a_100035314219_100011214924 [1,1,0,0,0,0|2,0,0]=4 522 B24R1.3068175 CCCCCCCCCOCCCOC(=O)c1ccc(c(c1)F)F 7a_100035314219_100000210328 [1,1,0,0,0,0|2,0,0]=4 523 B24R1.3068175 CCCCCCOCCOCCOCC(=O)c1ccc(c(c1)O)O 7a_100000032842_100000183813 [1,1,0,0,0,0|2,0,0]=4 524 B24R1.3068175 CCOCCCCCCCCCOCC(=O)c1ccc(c(c1)Cl)O 7a_100009875440_200010170092 [1,1,0,0,0,0|2,0,0]=4 525 B24R1.3068175 CCOCCCCCCCCCOCC(=O)c1ccc(c(c1)O)O 7a_100009875440_100000183813 [1,1,0,0,0,0|1,0,0]=3 526 B24R1.3068175 Cc1cc(ccc1O)C(=O)CCCCCCCCCCCCCO 1458a_100000685612_100009812470 [1,1,0,0,0,0|2,0,0]=4 527 B24R1.3068175 Cc1cc(ccc1O)C(=O)NCCCCCCCCCCCCO 240690a_100000066677_100000685612 [1,1,0,0,0,0|2,0,0]=4 528 B24R1.3068175 Cc1ccc(cc1O)C(=O)CCCCCCCCCCCCCO 1458a_100000233767_100009812470 [1,1,0,0,0,0|2,0,0]=4 529 B24R1.3068175 Cc1ccc(cc1O)C(=O)NCCCCCCCCCCCCO 240690a_100000066677_100000233767 [1,1,0,0,0,0|2,0,0]=4 530 B24R1.3068175 O=C(CCCCCCCCCCCCCO)c1ccc(c(c1)Cl)O 1458a_100000212196_100009812470 [1,1,0,0,0,0|2,0,0]=4 531 B24R1.3068175 O=C(CCCCCCCCCCCCCO)c1ccc(c(c1)F)O 1458a_100000185466_100009812470 [1,1,0,0,0,0|2,0,0]=4 532 B24R1.3068175 O=C(CCCCCCCCCCCCCO)c1ccc(c(c1)I)O 1458a_100000037485_100009812470 [1,1,0,0,0,0|2,0,0]=4 533 B24R1.3068175 O=C(CCCCCCCCCCCCCO)c1ccc(c(c1)O)Cl 1458a_100011933997_100009812470 [1,1,0,0,0,0|2,0,0]=4 534 B24R1.3068175 O=C(CCCCCCCCCCCCCO)c1ccc(c(c1)O)F 1458a_100000035894_100009812470 [1,1,0,0,0,0|2,0,0]=4 535 B24R1.3068175 O=C(CCCCCCCCCCCCCO)c1ccc(c(c1)O)I 1458a_100000239334_100009812470 [1,1,0,0,0,0|2,0,0]=4 536 B24R1.3068175 O=C(CCCCCCCCCCCCCO)c1ccc(c(c1)O)O 1458a_100000212155_100009812470 [1,1,0,0,0,0|1,0,0]=3 537 B24R1.3068175 O=C(COCCCCCCCCCCCBr)c1ccc(c(c1)O)O 7a_100009812471_100000183813 [1,1,0,0,0,0|1,0,0]=3 538 B24R1.3068175 O=C(CSCCCCCCCCCCCO)c1ccc(c(c1)O)O 62a_100009812471_100000183813 [1,1,0,0,0,0|1,1,0]=4 539 B24R1.3068175 O=C(NCCCCCCCCCCCCO)c1ccc(c(c1)Br)O 240690a_100000066677_100000189672 [1,1,0,0,0,0|2,0,0]=4 540 B24R1.3068175 O=C(NCCCCCCCCCCCCO)c1ccc(c(c1)Cl)O 240690a_100000066677_100000212196 [1,1,0,0,0,0|2,0,0]=4 541 B24R1.3068175 O=C(NCCCCCCCCCCCCO)c1ccc(c(c1)F)O 240690a_100000066677_100000185466 [1,1,0,0,0,0|2,0,0]=4 542 B24R1.3068175 O=C(NCCCCCCCCCCCCO)c1ccc(c(c1)I)O 240690a_100000066677_100000037485 [1,1,0,0,0,0|2,0,0]=4 543 B24R1.3068175 O=C(NCCCCCCCCCCCCO)c1ccc(c(c1)O)Br 240690a_100000066677_100000689001 [1,1,0,0,0,0|2,0,0]=4 544 B24R1.3068175 O=C(NCCCCCCCCCCCCO)c1ccc(c(c1)O)Cl 240690a_100000066677_100011933997 [1,1,0,0,0,0|2,0,0]=4 545 B24R1.3068175 O=C(NCCCCCCCCCCCCO)c1ccc(c(c1)O)F 240690a_100000066677_100000035894 [1,1,0,0,0,0|2,0,0]=4 546 B24R1.3068175 O=C(NCCCCCCCCCCCCO)c1ccc(c(c1)O)I 240690a_100000066677_100000239334 [1,1,0,0,0,0|2,0,0]=4 547 B24R1.5758210 CCCCCCCCCCCCNC(=O)c1cc(c(cc1F)C)O 240690a_100000210451_100009839767 [1,1,0,0,0,0|2,0,0]=4 548 B24R1.5758210 CCCCCCCCCCCCNC(=O)c1cc(c(cc1F)O)Cl 240690a_100000210451_200009924051 [1,1,0,0,0,0|2,0,0]=4 549 B24R1.5758210 CCCCCCCCCCCCNC(=O)c1cc(c(cc1F)O)Cl 527a_100000210451_200009924051 [1,1,0,0,0,0|2,0,0]=4 550 B24R1.5758210 CCCCCCCCCCCCNC(=O)c1cc(c(cc1O)O)Br 527a_100000210451_100009813906 [1,1,0,0,0,0|2,0,0]=4 551 B24R1.5758211 CCCCCCCCCCCCCC(=O)c1ccc(c(c1O)O)O 1458a_100000037941_100000210684 [1,1,0,0,0,0|1,0,0]=3 552 B24R1.5758211 CCCCCCCCCCCCNC(=O)c1ccc(c(c1Cl)O)O 240690a_100000210451_100009910189 [1,1,0,0,0,0|1,0,0]=3 553 B24R1.5758211 CCCCCCCCCCCCNC(=O)c1ccc(c(c1F)F)O 240690a_100000210451_100000036740 [1,1,0,0,0,0|2,0,0]=4 554 B24R1.5758211 CCCCCCCCCCCCNC(=O)c1ccc(c(c1F)O)F 240690a_100000210451_100000084588 [1,1,0,0,0,0|2,0,0]=4 555 B24R1.5758211 O=C(CCCCCCCCCCCCO)c1ccc(c(c1Cl)O)O 1458a_100009910189_100009813331 [1,1,0,0,0,0|2,0,0]=4 556 B24R1.5758211 O=C(CCCCCCCCCCCCO)c1ccc(c(c1O)O)O 1458a_100000037941_100009813331 [1,1,0,0,0,0|2,0,0]=4 557 B24R1.14045170 C=CCCCCCCCCCCC(=O)c1cc(c(c(c1)OC)O)O 1458a_100000061230_100011093070 [1,1,0,0,0,0|0,0,2]=4 558 B24R1.14045170 CCCCC#CCCCCCCC(=O)c1cc(c(c(c1)OC)O)O 1458a_100000061230_200000043322 [1,1,0,0,0,0|0,0,2]=4 559 B24R1.14045170 CCCCCCCCCCCCC(=O)c1cc(c(c(c1)OC)O)O 1458a_100000061230_100000759014 [1,1,0,0,0,0|0,0,0]=2 560 B24R1.14045170 CCCCCCCCCCCNC(=O)c1cc(c(c(c1)OC)O)Cl 240690a_200011215754_100000209947 [1,1,0,0,0,0|2,0,0]=4 561 B24R1.14045170 COc1cc(cc(c1O)Cl)C(=O)CCCCCCCCCCCO 1458a_100000209947_100009812471 [1,1,0,0,0,0|2,0,0]=4 562 B24R1.14045170 COc1cc(cc(c1O)O)C(=O)CCCCCCCCCCCO 1458a_100000061230_100009812471 [1,1,0,0,0,0|1,0,0]=3 563 B24R1.14045171 C=CCCCCCCCCCCC(=O)c1cc(c(c(c1)O)OC)O 1458a_100000073573_100011093070 [1,1,0,0,0,0|0,0,2]=4 564 B24R1.14045171 CCCCC#CCCCCCCC(=O)c1cc(c(c(c1)O)OC)O 1458a_100000073573_200000043322 [1,1,0,0,0,0|0,0,2]=4 565 B24R1.14045171 CCCCCCCCCCCCC(=O)c1cc(c(c(c1)F)CO)F 1458a_200009844098_100000759014 [1,1,0,0,0,0|2,0,0]=4 566 B24R1.14045171 CCCCCCCCCCCCC(=O)c1cc(c(c(c1)O)OC)O 1458a_100000073573_100000759014 [1,1,0,0,0,0|0,0,0]=2 567 B24R1.14045171 CCCCCCCCCCCNC(=O)c1cc(c(c(c1)Br)OC)O 240690a_200011215754_100010760816 [1,1,0,0,0,0|2,0,0]=4 568 B24R1.14045171 CCCCCCCCCCCNC(=O)c1cc(c(c(c1)Br)OC)O 527a_200011215754_100010760816 [1,1,0,0,0,0|2,0,0]=4 569 B24R1.14045171 COc1c(cc(cc1Br)C(=O)CCCCCCCCCCCO)O 1458a_100010760816_100009812471 [1,1,0,0,0,0|2,0,0]=4 570 B24R1.14045171 COc1c(cc(cc1O)C(=O)CCCCCCCCCCCO)O 1458a_100000073573_100009812471 [1,1,0,0,0,0|1,0,0]=3 571 B24R1.14160032 NC(=O)CCCCCCCCCCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_200010167045 [1,1,0,0,0,0|1,0,1]=4 572 B24R1.22067769 CCOC(=O)CCCCCCCCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100010175975 [1,1,0,0,0,0|1,0,1]=4 573 B24R1.27353161 COC(=O)CCCCCCCCCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100009813843 [1,1,0,0,0,0|1,0,1]=4 574 B24R1.33277503 CCCCCCCCCC(=O)OCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_200010990708 [1,1,0,0,0,0|1,0,1]=4 575 B26R1.7673135 CCCCCCCCCCCCNC(=O)Cc1cc(c(c(c1)OC)O)Br 240690a_100000210451_100009814412 [0,1,0,0,0,1|2,0,0]=4 576 B26R1.7673135 CCCCCCCCCCCCNC(=O)Cc1cc(c(c(c1)OC)O)Br 527a_100000210451_100009814412 [0,1,0,0,0,1|2,0,0]=4 577 B26R1.26083962 CC(=O)SCCCCCCCCCCCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100010140907 [0,2,0,0,0,0|1,0,1]=4 578 B26R1.36240510 CCCCCCCCCCCCCCNC(=O)c1cc(c(c(c1)O)C)O 240690a_100011217771_100000031928 [0,2,0,0,0,0|2,0,0]=4 579 B26R1.36240510 CCCCCCCCCCCCCCNC(=O)c1cc(c(c(c1)O)C)O 527a_100011217771_100000031928 [0,2,0,0,0,0|2,0,0]=4 580 B26R1.36264849 CCCCCCCCCCCC(=O)OCC(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100020644155 [0,2,0,0,0,0|1,0,1]=4 581 B26R1.36264849 CCCCCCCCCCCC(=O)OCC(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100020644155 [0,2,0,0,0,0|1,0,1]=4 582 B26R1.36264849 CCCCCCCCCCCC(=O)OCC(=O)c1cc(c(c(c1)O)C)O 1458a_100000031928_100020644155 [0,2,0,0,0,0|1,0,1]=4 583 B26R1.36264849 CCCCCCCCCCCC(=O)OCC(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_100020644155 [0,2,0,0,0,0|1,0,1]=4 584 B26R1.36264849 CCCCCCCCCCCC(=O)OCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100020644155 [0,2,0,0,0,0|0,0,1]=3 585 B26R1.49151694 CCOC(=O)CCCCCCCCCCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100009827693 [0,2,0,0,0,0|1,0,1]=4 586 B26R1.56144090 COC(=O)CCCCCCCCCCCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100010983606 [0,2,0,0,0,0|1,0,1]=4 587 B26R1.144386932 COc1cc(cc(c1O)Cl)C(=O)NCCCCCCCCCCCCO 240690a_100000066677_100000209947 [0,2,0,0,0,0|2,0,0]=4 588 B26R1.144386933 COc1c(cc(cc1Br)C(=O)NCCCCCCCCCCCCO)O 240690a_100000066677_100010760816 [0,2,0,0,0,0|2,0,0]=4 589 B26R1.227631663 O=C(CCCCCCCCCCCC(F)(F)F)c1cc(c(c(c1)O)O)O 1458a_100000212154_200044909058 [0,2,0,0,0,0|2,0,0]=4 590 B26R1.144062119 CCCCCCCCCCCCNC(=O)c1cc(c(c(c1)OC)C)OC 11a_100000210451_100000211643 [0,2,0,0,0,0|2,0,0]=4 591 B26R1.144062119 CCCCCCCCCCCCNC(=O)c1cc(c(c(c1)OC)C)OC 1626a_100000210451_100000211643 [0,2,0,0,0,0|2,0,0]=4 592 B26R1.144062119 CCCCCCCCCCCCNC(=O)c1cc(c(c(c1)OC)C)OC 240690a_100000210451_100000211643 [0,2,0,0,0,0|2,0,0]=4 593 B26R1.144062119 CCCCCCCCCCCCNC(=O)c1cc(c(c(c1)OC)C)OC 527a_100000210451_100000211643 [0,2,0,0,0,0|2,0,0]=4 594 B26R1.144062119 CCCCCCCCCCCCNC(=O)c1cc(c(c(c1)OC)O)OC 240690a_100000210451_100000692901 [0,2,0,0,0,0|1,0,0]=3 595 B26R1.144062119 CCCCCCCCCCCCNC(=O)c1cc(c(c(c1)OC)O)OC 527a_100000210451_100000692901 [0,2,0,0,0,0|1,0,0]=3 596 B26R1.144062120 CCCCCCCCCCCCNC(=O)c1cc(c(c(c1)OC)OC)O 240690a_100000210451_100000032013 [0,2,0,0,0,0|1,0,0]=3 597 B26R1.144062120 CCCCCCCCCCCCNC(=O)c1cc(c(c(c1)OC)OC)O 527a_100000210451_100000032013 [0,2,0,0,0,0|1,0,0]=3 598 B26R1.144062123 CCCCCCCCCCCCCC(=O)c1cc(c(c(c1)[N+](=O)[O-])O)O 1458a_100009843786_100000210684 [0,2,0,0,0,0|1,0,1]=4 599 B26R1.144062123 CCCCCCCCCCCCNC(=O)c1cc(c(c(c1)[N+](=O)[O-])O)O 240690a_100000210451_100009843786 [0,2,0,0,0,0|1,0,1]=4 600 B24R2.47284810 Cc1cc(cc(c1)C(=O)NC2CCCCCCCCCCC2)O 240690a_100011194316_100000094094 [1,0,0,1,0,0|2,0,0]=4 601 B24R2.47284810 Cc1cc(cc(c1)C(=O)NC2CCCCCCCCCCC2)O 527a_100011194316_100000094094 [1,0,0,1,0,0|2,0,0]=4 602 B24R2.47284810 O=C(NC1CCCCCCCCCCC1)c2cc(cc(c2)Br)O 240690a_100011194316_100011934545 [1,0,0,1,0,0|2,0,0]=4 603 B24R2.47284810 O=C(NC1CCCCCCCCCCC1)c2cc(cc(c2)Br)O 527a_100011194316_100011934545 [1,0,0,1,0,0|2,0,0]=4 604 B24R2.47284810 O=C(NC1CCCCCCCCCCC1)c2cc(cc(c2)Cl)O 240690a_100011194316_100011997059 [1,0,0,1,0,0|2,0,0]=4 605 B24R2.47284810 O=C(NC1CCCCCCCCCCC1)c2cc(cc(c2)Cl)O 527a_100011194316_100011997059 [1,0,0,1,0,0|2,0,0]=4 606 B24R2.47284810 O=C(NC1CCCCCCCCCCC1)c2cc(cc(c2)F)O 11a_100011194316_100012017291 [1,0,0,1,0,0|2,0,0]=4 607 B24R2.47284810 O=C(NC1CCCCCCCCCCC1)c2cc(cc(c2)F)O 240690a_100011194316_100012017291 [1,0,0,1,0,0|2,0,0]=4 608 B24R2.47284810 O=C(NC1CCCCCCCCCCC1)c2cc(cc(c2)F)O 527a_100011194316_100012017291 [1,0,0,1,0,0|2,0,0]=4 609 B24R2.47284810 O=C(NC1CCCCCCCCCCC1)c2cc(cc(c2)O)O 240690a_100011194316_100000690292 [1,0,0,1,0,0|1,0,0]=3 610 B24R2.47284810 O=C(NC1CCCCCCCCCCC1)c2cc(cc(c2)O)O 527a_100011194316_100000690292 [1,0,0,1,0,0|1,0,0]=3 611 B24R2.16761660 Cc1cc(ccc1O)C(=O)NC2CCCCCCCCCCC2 240690a_100011194316_100000685612 [1,0,0,1,0,0|2,0,0]=4 612 B24R2.16761660 Cc1ccc(cc1O)C(=O)NC2CCCCCCCCCCC2 240690a_100011194316_100000233767 [1,0,0,1,0,0|2,0,0]=4 613 B24R2.16761660 O=C(NC1CCCCCCCCCCC1)c2ccc(c(c2)Br)O 240690a_100011194316_100000189672 [1,0,0,1,0,0|2,0,0]=4 614 B24R2.16761660 O=C(NC1CCCCCCCCCCC1)c2ccc(c(c2)Cl)O 240690a_100011194316_100000212196 [1,0,0,1,0,0|2,0,0]=4 615 B24R2.16761660 O=C(NC1CCCCCCCCCCC1)c2ccc(c(c2)Cl)O 527a_100011194316_100000212196 [1,0,0,1,0,0|2,0,0]=4 616 B24R2.16761660 O=C(NC1CCCCCCCCCCC1)c2ccc(c(c2)F)O 240690a_100011194316_100000185466 [1,0,0,1,0,0|2,0,0]=4 617 B24R2.16761660 O=C(NC1CCCCCCCCCCC1)c2ccc(c(c2)F)O 527a_100011194316_100000185466 [1,0,0,1,0,0|2,0,0]=4 618 B24R2.16761660 O=C(NC1CCCCCCCCCCC1)c2ccc(c(c2)I)O 1626a_100011194316_100000037485 [1,0,0,1,0,0|2,0,0]=4 619 B24R2.16761660 O=C(NC1CCCCCCCCCCC1)c2ccc(c(c2)I)O 240690a_100011194316_100000037485 [1,0,0,1,0,0|2,0,0]=4 620 B24R2.16761660 O=C(NC1CCCCCCCCCCC1)c2ccc(c(c2)O)Br 240690a_100011194316_100000689001 [1,0,0,1,0,0|2,0,0]=4 621 B24R2.16761660 O=C(NC1CCCCCCCCCCC1)c2ccc(c(c2)O)Br 527a_100011194316_100000689001 [1,0,0,1,0,0|2,0,0]=4 622 B24R2.16761660 O=C(NC1CCCCCCCCCCC1)c2ccc(c(c2)O)Cl 240690a_100011194316_100011933997 [1,0,0,1,0,0|2,0,0]=4 623 B24R2.16761660 O=C(NC1CCCCCCCCCCC1)c2ccc(c(c2)O)Cl 527a_100011194316_100011933997 [1,0,0,1,0,0|2,0,0]=4 624 B24R2.16761660 O=C(NC1CCCCCCCCCCC1)c2ccc(c(c2)O)F 240690a_100011194316_100000035894 [1,0,0,1,0,0|2,0,0]=4 625 B24R2.16761660 O=C(NC1CCCCCCCCCCC1)c2ccc(c(c2)O)F 527a_100011194316_100000035894 [1,0,0,1,0,0|2,0,0]=4 626 B24R2.16761660 O=C(NC1CCCCCCCCCCC1)c2ccc(c(c2)O)I 1626a_100011194316_100000239334 [1,0,0,1,0,0|2,0,0]=4 627 B24R2.16761660 O=C(NC1CCCCCCCCCCC1)c2ccc(c(c2)O)I 240690a_100011194316_100000239334 [1,0,0,1,0,0|2,0,0]=4 628 B24R2.16761660 O=C(NC1CCCCCCCCCCC1)c2ccc(c(c2)O)I 527a_100011194316_100000239334 [1,0,0,1,0,0|2,0,0]=4 629 B26R2.268590065 CCCCCCCCCCCc1noc(n1)c2cc(c(c(c2)O)O)O 270196a_100000749962_100000212154 [0,1,0,1,0,0|1,0,1]=4 630 B26R2.162500849 O=C(CCCCCCCCCC1OCCO1)c2cc(c(c(c2)O)O)O 1458a_100000212154_103619048131 [0,1,0,1,0,0|2,0,0]=4 631 B26R2.46017098 CCCCCCCCCCCCNC(=O)c1cc(c2c(c1)OCO2)Br 11a_100000210451_100000744664 [0,1,0,1,0,0|2,0,0]=4 632 B26R2.46017098 CCCCCCCCCCCCNC(=O)c1cc(c2c(c1)OCO2)Br 1626a_100000210451_100000744664 [0,1,0,1,0,0|2,0,0]=4 633 B26R2.46017098 CCCCCCCCCCCCNC(=O)c1cc(c2c(c1)OCO2)Br 240690a_100000210451_100000744664 [0,1,0,1,0,0|2,0,0]=4 634 B26R2.46017098 CCCCCCCCCCCCNC(=O)c1cc(c2c(c1)OCO2)Br 527a_100000210451_100000744664 [0,1,0,1,0,0|2,0,0]=4 635 B26R2.171735229 COc1cc(cc(c1O)Cl)C(=O)NC2CCCCCCCCCCC2 240690a_100011194316_100000209947 [0,1,0,1,0,0|2,0,0]=4 636 B26R2.536562592 COc1c(cc(cc1Br)C(=O)NC2CCCCCCCCCCC2)O 240690a_100011194316_100010760816 [0,1,0,1,0,0|2,0,0]=4 637 B26R2.536562592 COc1c(cc(cc1Br)C(=O)NC2CCCCCCCCCCC2)O 527a_100011194316_100010760816 [0,1,0,1,0,0|2,0,0]=4 638 B26R3.3306931 Cc1c(cc(cc1O)C(=O)NC2CCCCC2C3CCCCC3)O 240690a_200011339469_100000031928 [0,0,0,2,0,0|2,0,0]=4 639 B26R3.3306931 Cc1c(cc(cc1O)C(=O)NC2CCCCC2C3CCCCC3)O 527a_200011339469_100000031928 [0,0,0,2,0,0|2,0,0]=4 640 B26R3.3306931 O=C(NC1CCCCC1C2CCCCC2)c3cc(c(c(c3)Br)O)O 240690a_200011339469_200009992764 [0,0,0,2,0,0|2,0,0]=4 641 B26R3.3306931 O=C(NC1CCCCC1C2CCCCC2)c3cc(c(c(c3)Cl)O)O 240690a_200011339469_200000078382 [0,0,0,2,0,0|2,0,0]=4 642 B26R3.3306931 O=C(NC1CCCCC1C2CCCCC2)c3cc(c(c(c3)O)Br)O 240690a_200011339469_100009812877 [0,0,0,2,0,0|2,0,0]=4 643 B26R3.3306931 O=C(NC1CCCCC1C2CCCCC2)c3cc(c(c(c3)O)Cl)O 240690a_200011339469_100000074654 [0,0,0,2,0,0|2,0,0]=4 644 B24R1.2874770 CCCCCCCCCCCCNC(=O)Cc1cc(cc(c1)O)O 240690a_100000210451_100000080560 [1,0,0,0,0,1|1,0,0]=3 645 B24R1.2874770 CCCCCCCCCCCCNC(=O)Cc1cc(cc(c1)O)O 527a_100000210451_100000080560 [1,0,0,0,0,1|1,0,0]=3 646 B24R1.2874770 CCCCCCCCCCCCNC(=O)Nc1cc(cc(c1)O)C 2430a_100011995906_100000210451 [1,0,0,0,0,1|2,0,0]=4 647 B24R1.2874770 CCCCCCCCCCCCNC(=O)Nc1cc(cc(c1)O)C 512a_100011995906_100000210451 [1,0,0,0,0,1|2,0,0]=4 648 B24R1.2874770 CCCCCCCCCCCCNC(=O)Nc1cc(cc(c1)O)O 2430a_100000043371_100000210451 [1,0,0,0,0,1|1,0,0]=3 649 B24R1.2874770 CCCCCCCCCCCCNC(=O)Nc1cc(cc(c1)O)O 512a_100000043371_100000210451 [1,0,0,0,0,1|1,0,0]=3 650 B24R1.2874785 CCCCCCCCCCCCCC(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_100000210684 [1,0,0,0,0,1|1,0,0]=3 651 B24R1.2874785 CCCCCCCCCCCCCC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000756256 [1,0,0,0,0,1|1,0,0]=3 652 B24R1.2874785 CCCCCCCCCCCCNC(=O)Cc1ccc(c(c1)Br)O 240690a_100000210451_100009990404 [1,0,0,0,0,1|2,0,0]=4 653 B24R1.2874785 CCCCCCCCCCCCNC(=O)Cc1ccc(c(c1)Br)O 527a_100000210451_100009990404 [1,0,0,0,0,1|2,0,0]=4 654 B24R1.2874785 CCCCCCCCCCCCNC(=O)Cc1ccc(c(c1)C)O 240690a_100000210451_100000083968 [1,0,0,0,0,1|2,0,0]=4 655 B24R1.2874785 CCCCCCCCCCCCNC(=O)Cc1ccc(c(c1)C)O 527a_100000210451_100000083968 [1,0,0,0,0,1|2,0,0]=4 656 B24R1.2874785 CCCCCCCCCCCCNC(=O)Cc1ccc(c(c1)Cl)O 240690a_100000210451_100000035197 [1,0,0,0,0,1|2,0,0]=4 657 B24R1.2874785 CCCCCCCCCCCCNC(=O)Cc1ccc(c(c1)Cl)O 527a_100000210451_100000035197 [1,0,0,0,0,1|2,0,0]=4 658 B24R1.2874785 CCCCCCCCCCCCNC(=O)Cc1ccc(c(c1)F)O 240690a_100000210451_100000039761 [1,0,0,0,0,1|2,0,0]=4 659 B24R1.2874785 CCCCCCCCCCCCNC(=O)Cc1ccc(c(c1)F)O 527a_100000210451_100000039761 [1,0,0,0,0,1|2,0,0]=4 660 B24R1.2874785 CCCCCCCCCCCCNC(=O)Cc1ccc(c(c1)O)C 11a_100000210451_100000082272 [1,0,0,0,0,1|2,0,0]=4 661 B24R1.2874785 CCCCCCCCCCCCNC(=O)Cc1ccc(c(c1)O)C 240690a_100000210451_100000082272 [1,0,0,0,0,1|2,0,0]=4 662 B24R1.2874785 CCCCCCCCCCCCNC(=O)Cc1ccc(c(c1)O)C 527a_100000210451_100000082272 [1,0,0,0,0,1|2,0,0]=4 663 B24R1.2874785 CCCCCCCCCCCCNC(=O)Cc1ccc(c(c1)O)O 527a_100000210451_100000031429 [1,0,0,0,0,1|1,0,0]=3 664 B24R1.2874785 CCCCCCCCCCCCNC(=O)Nc1ccc(c(c1)C)O 2430a_100011218179_100000210451 [1,0,0,0,0,1|2,0,0]=4 665 B24R1.2874785 CCCCCCCCCCCCNC(=O)Nc1ccc(c(c1)F)O 2430a_100011220035_100000210451 [1,0,0,0,0,1|2,0,0]=4 666 B24R1.2874785 CCCCCCCCCCCCNC(=O)Nc1ccc(c(c1)O)C 2430a_100000759471_100000210451 [1,0,0,0,0,1|2,0,0]=4 667 B24R1.2874785 CCCCCCCCCCCCNC(=O)Nc1ccc(c(c1)O)F 2430a_100012017398_100000210451 [1,0,0,0,0,1|2,0,0]=4 668 B24R1.2874785 CCCCCCCCCCCCNC(=O)Nc1ccc(c(c1)O)O 2430a_100102946323_100000210451 [1,0,0,0,0,1|1,0,0]=3 669 B24R1.2874785 O=C(CCCCCCCCCCCCO)Cc1ccc(c(c1)O)O 1458a_100000031429_100009813331 [1,0,0,0,0,1|2,0,0]=4 670 B24R1.2874785 O=C(CCCCCCCCCCCCO)Nc1ccc(c(c1)O)O 22a_100102946323_100102582631 [1,0,0,0,0,1|2,0,0]=4