0 B14R1.6821 C#CCC(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100000184674 [0,0,0,0,0,0|2,0,2]=4 1 B14R1.6821 C#CCC(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100000184674 [0,0,0,0,0,0|2,0,2]=4 2 B14R1.6821 C#CCC(=O)c1cc(c(c(c1)O)C)O 1458a_100000031928_100000184674 [0,0,0,0,0,0|2,0,2]=4 3 B14R1.6821 C#CCC(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_100000184674 [0,0,0,0,0,0|2,0,2]=4 4 B14R1.6821 C#CCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000184674 [0,0,0,0,0,0|1,0,2]=3 5 B14R1.6821 C=CCC(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100000210623 [0,0,0,0,0,0|2,0,2]=4 6 B14R1.6821 C=CCC(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100000210623 [0,0,0,0,0,0|2,0,2]=4 7 B14R1.6821 C=CCC(=O)c1cc(c(c(c1)O)C)O 1458a_100000031928_100000210623 [0,0,0,0,0,0|2,0,2]=4 8 B14R1.6821 C=CCC(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_100000210623 [0,0,0,0,0,0|2,0,2]=4 9 B14R1.6821 C=CCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000210623 [0,0,0,0,0,0|1,0,2]=3 10 B14R1.6821 CCCC(=O)c1cc(c(c(c1)Br)C)Br 1458a_100000187602_100000210303 [0,0,0,0,0,0|4,0,0]=4 11 B14R1.6821 CCCC(=O)c1cc(c(c(c1)Br)C)F 1458a_200012347618_100000210303 [0,0,0,0,0,0|4,0,0]=4 12 B14R1.6821 CCCC(=O)c1cc(c(c(c1)Br)Cl)Cl 1458a_200012920480_100000210303 [0,0,0,0,0,0|4,0,0]=4 13 B14R1.6821 CCCC(=O)c1cc(c(c(c1)Br)Cl)F 1458a_100010291025_100000210303 [0,0,0,0,0,0|4,0,0]=4 14 B14R1.6821 CCCC(=O)c1cc(c(c(c1)Br)F)F 1458a_100010259547_100000210303 [0,0,0,0,0,0|4,0,0]=4 15 B14R1.6821 CCCC(=O)c1cc(c(c(c1)Br)O)Br 1458a_100000692688_100000210303 [0,0,0,0,0,0|3,0,0]=3 16 B14R1.6821 CCCC(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100000210303 [0,0,0,0,0,0|2,0,0]=2 17 B14R1.6821 CCCC(=O)c1cc(c(c(c1)C)Br)C 1458a_100000700660_100000210303 [0,0,0,0,0,0|4,0,0]=4 18 B14R1.6821 CCCC(=O)c1cc(c(c(c1)C)C)C 1458a_100000075298_100000210303 [0,0,0,0,0,0|4,0,0]=4 19 B14R1.6821 CCCC(=O)c1cc(c(c(c1)C)Cl)C 1458a_100000102532_100000210303 [0,0,0,0,0,0|4,0,0]=4 20 B14R1.6821 CCCC(=O)c1cc(c(c(c1)C)F)C 1458a_100000741972_100000210303 [0,0,0,0,0,0|4,0,0]=4 21 B14R1.6821 CCCC(=O)c1cc(c(c(c1)C)I)C 1458a_100010769667_100000210303 [0,0,0,0,0,0|4,0,0]=4 22 B14R1.6821 CCCC(=O)c1cc(c(c(c1)C)O)C 1458a_100011219978_100000210303 [0,0,0,0,0,0|3,0,0]=3 23 B14R1.6821 CCCC(=O)c1cc(c(c(c1)Cl)Br)Cl 1458a_100012354307_100000210303 [0,0,0,0,0,0|4,0,0]=4 24 B14R1.6821 CCCC(=O)c1cc(c(c(c1)Cl)C)Cl 1458a_100012356007_100000210303 [0,0,0,0,0,0|4,0,0]=4 25 B14R1.6821 CCCC(=O)c1cc(c(c(c1)Cl)Cl)Cl 1458a_100012339221_100000210303 [0,0,0,0,0,0|4,0,0]=4 26 B14R1.6821 CCCC(=O)c1cc(c(c(c1)Cl)Cl)F 1458a_200010244527_100000210303 [0,0,0,0,0,0|4,0,0]=4 27 B14R1.6821 CCCC(=O)c1cc(c(c(c1)Cl)F)Cl 1458a_100011934374_100000210303 [0,0,0,0,0,0|4,0,0]=4 28 B14R1.6821 CCCC(=O)c1cc(c(c(c1)Cl)F)F 1458a_100000068011_100000210303 [0,0,0,0,0,0|4,0,0]=4 29 B14R1.6821 CCCC(=O)c1cc(c(c(c1)Cl)O)Cl 1458a_100000184433_100000210303 [0,0,0,0,0,0|3,0,0]=3 30 B14R1.6821 CCCC(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100000210303 [0,0,0,0,0,0|2,0,0]=2 31 B14R1.6821 CCCC(=O)c1cc(c(c(c1)F)Br)F 1458a_100010078405_100000210303 [0,0,0,0,0,0|4,0,0]=4 32 B14R1.6821 CCCC(=O)c1cc(c(c(c1)F)C)F 1458a_100000055762_100000210303 [0,0,0,0,0,0|4,0,0]=4 33 B14R1.6821 CCCC(=O)c1cc(c(c(c1)F)Cl)F 1458a_100000104779_100000210303 [0,0,0,0,0,0|4,0,0]=4 34 B14R1.6821 CCCC(=O)c1cc(c(c(c1)F)F)C 1458a_100000061453_100000210303 [0,0,0,0,0,0|4,0,0]=4 35 B14R1.6821 CCCC(=O)c1cc(c(c(c1)F)F)F 1458a_100000751656_100000210303 [0,0,0,0,0,0|4,0,0]=4 36 B14R1.6821 CCCC(=O)c1cc(c(c(c1)F)F)O 1458a_200000081825_100000210303 [0,0,0,0,0,0|3,0,0]=3 37 B14R1.6821 CCCC(=O)c1cc(c(c(c1)F)O)F 1458a_100000766045_100000210303 [0,0,0,0,0,0|3,0,0]=3 38 B14R1.6821 CCCC(=O)c1cc(c(c(c1)I)C)F 1458a_100012344050_100000210303 [0,0,0,0,0,0|4,0,0]=4 39 B14R1.6821 CCCC(=O)c1cc(c(c(c1)I)I)I 1458a_100000033816_100000210303 [0,0,0,0,0,0|4,0,0]=4 40 B14R1.6821 CCCC(=O)c1cc(c(c(c1)I)O)I 1458a_100000034356_100000210303 [0,0,0,0,0,0|3,0,0]=3 41 B14R1.6821 CCCC(=O)c1cc(c(c(c1)O)C)O 1458a_100000031928_100000210303 [0,0,0,0,0,0|2,0,0]=2 42 B14R1.6821 CCCC(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_100000210303 [0,0,0,0,0,0|2,0,0]=2 43 B14R1.6821 CCCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000210303 [0,0,0,0,0,0|1,0,0]=1 44 B14R1.6821 CCNC(=O)c1cc(c(c(c1)Br)C)Br 11a_100015525214_100000187602 [0,0,0,0,0,0|4,0,0]=4 45 B14R1.6821 CCNC(=O)c1cc(c(c(c1)Br)C)Br 240690a_100015525214_100000187602 [0,0,0,0,0,0|4,0,0]=4 46 B14R1.6821 CCNC(=O)c1cc(c(c(c1)Br)C)Br 527a_100015525214_100000187602 [0,0,0,0,0,0|4,0,0]=4 47 B14R1.6821 CCNC(=O)c1cc(c(c(c1)Br)C)F 11a_100015525214_200012347618 [0,0,0,0,0,0|4,0,0]=4 48 B14R1.6821 CCNC(=O)c1cc(c(c(c1)Br)C)F 240690a_100015525214_200012347618 [0,0,0,0,0,0|4,0,0]=4 49 B14R1.6821 CCNC(=O)c1cc(c(c(c1)Br)C)F 527a_100015525214_200012347618 [0,0,0,0,0,0|4,0,0]=4 50 B14R1.6821 CCNC(=O)c1cc(c(c(c1)Br)Cl)Cl 11a_100015525214_200012920480 [0,0,0,0,0,0|4,0,0]=4 51 B14R1.6821 CCNC(=O)c1cc(c(c(c1)Br)Cl)Cl 240690a_100015525214_200012920480 [0,0,0,0,0,0|4,0,0]=4 52 B14R1.6821 CCNC(=O)c1cc(c(c(c1)Br)Cl)Cl 527a_100015525214_200012920480 [0,0,0,0,0,0|4,0,0]=4 53 B14R1.6821 CCNC(=O)c1cc(c(c(c1)Br)Cl)F 11a_100015525214_100010291025 [0,0,0,0,0,0|4,0,0]=4 54 B14R1.6821 CCNC(=O)c1cc(c(c(c1)Br)Cl)F 240690a_100015525214_100010291025 [0,0,0,0,0,0|4,0,0]=4 55 B14R1.6821 CCNC(=O)c1cc(c(c(c1)Br)Cl)F 527a_100015525214_100010291025 [0,0,0,0,0,0|4,0,0]=4 56 B14R1.6821 CCNC(=O)c1cc(c(c(c1)Br)F)F 11a_100015525214_100010259547 [0,0,0,0,0,0|4,0,0]=4 57 B14R1.6821 CCNC(=O)c1cc(c(c(c1)Br)F)F 240690a_100015525214_100010259547 [0,0,0,0,0,0|4,0,0]=4 58 B14R1.6821 CCNC(=O)c1cc(c(c(c1)Br)F)F 527a_100015525214_100010259547 [0,0,0,0,0,0|4,0,0]=4 59 B14R1.6821 CCNC(=O)c1cc(c(c(c1)Br)O)Br 240690a_100015525214_100000692688 [0,0,0,0,0,0|3,0,0]=3 60 B14R1.6821 CCNC(=O)c1cc(c(c(c1)Br)O)Br 527a_100015525214_100000692688 [0,0,0,0,0,0|3,0,0]=3 61 B14R1.6821 CCNC(=O)c1cc(c(c(c1)Br)O)O 240690a_100015525214_200009992764 [0,0,0,0,0,0|2,0,0]=2 62 B14R1.6821 CCNC(=O)c1cc(c(c(c1)C)Br)C 11a_100015525214_100000700660 [0,0,0,0,0,0|4,0,0]=4 63 B14R1.6821 CCNC(=O)c1cc(c(c(c1)C)Br)C 240690a_100015525214_100000700660 [0,0,0,0,0,0|4,0,0]=4 64 B14R1.6821 CCNC(=O)c1cc(c(c(c1)C)Br)C 527a_100015525214_100000700660 [0,0,0,0,0,0|4,0,0]=4 65 B14R1.6821 CCNC(=O)c1cc(c(c(c1)C)C)C 11a_100015525214_100000075298 [0,0,0,0,0,0|4,0,0]=4 66 B14R1.6821 CCNC(=O)c1cc(c(c(c1)C)C)C 240690a_100015525214_100000075298 [0,0,0,0,0,0|4,0,0]=4 67 B14R1.6821 CCNC(=O)c1cc(c(c(c1)C)C)C 527a_100015525214_100000075298 [0,0,0,0,0,0|4,0,0]=4 68 B14R1.6821 CCNC(=O)c1cc(c(c(c1)C)Cl)C 11a_100015525214_100000102532 [0,0,0,0,0,0|4,0,0]=4 69 B14R1.6821 CCNC(=O)c1cc(c(c(c1)C)Cl)C 240690a_100015525214_100000102532 [0,0,0,0,0,0|4,0,0]=4 70 B14R1.6821 CCNC(=O)c1cc(c(c(c1)C)Cl)C 527a_100015525214_100000102532 [0,0,0,0,0,0|4,0,0]=4 71 B14R1.6821 CCNC(=O)c1cc(c(c(c1)C)F)C 11a_100015525214_100000741972 [0,0,0,0,0,0|4,0,0]=4 72 B14R1.6821 CCNC(=O)c1cc(c(c(c1)C)F)C 240690a_100015525214_100000741972 [0,0,0,0,0,0|4,0,0]=4 73 B14R1.6821 CCNC(=O)c1cc(c(c(c1)C)F)C 527a_100015525214_100000741972 [0,0,0,0,0,0|4,0,0]=4 74 B14R1.6821 CCNC(=O)c1cc(c(c(c1)C)I)C 11a_100015525214_100010769667 [0,0,0,0,0,0|4,0,0]=4 75 B14R1.6821 CCNC(=O)c1cc(c(c(c1)C)I)C 240690a_100015525214_100010769667 [0,0,0,0,0,0|4,0,0]=4 76 B14R1.6821 CCNC(=O)c1cc(c(c(c1)C)I)C 527a_100015525214_100010769667 [0,0,0,0,0,0|4,0,0]=4 77 B14R1.6821 CCNC(=O)c1cc(c(c(c1)C)O)C 240690a_100015525214_100011219978 [0,0,0,0,0,0|3,0,0]=3 78 B14R1.6821 CCNC(=O)c1cc(c(c(c1)C)O)C 527a_100015525214_100011219978 [0,0,0,0,0,0|3,0,0]=3 79 B14R1.6821 CCNC(=O)c1cc(c(c(c1)Cl)Br)Cl 11a_100015525214_100012354307 [0,0,0,0,0,0|4,0,0]=4 80 B14R1.6821 CCNC(=O)c1cc(c(c(c1)Cl)Br)Cl 240690a_100015525214_100012354307 [0,0,0,0,0,0|4,0,0]=4 81 B14R1.6821 CCNC(=O)c1cc(c(c(c1)Cl)C)Cl 11a_100015525214_100012356007 [0,0,0,0,0,0|4,0,0]=4 82 B14R1.6821 CCNC(=O)c1cc(c(c(c1)Cl)C)Cl 240690a_100015525214_100012356007 [0,0,0,0,0,0|4,0,0]=4 83 B14R1.6821 CCNC(=O)c1cc(c(c(c1)Cl)C)Cl 527a_100015525214_100012356007 [0,0,0,0,0,0|4,0,0]=4 84 B14R1.6821 CCNC(=O)c1cc(c(c(c1)Cl)Cl)Cl 11a_100015525214_100012339221 [0,0,0,0,0,0|4,0,0]=4 85 B14R1.6821 CCNC(=O)c1cc(c(c(c1)Cl)Cl)Cl 240690a_100015525214_100012339221 [0,0,0,0,0,0|4,0,0]=4 86 B14R1.6821 CCNC(=O)c1cc(c(c(c1)Cl)Cl)Cl 527a_100015525214_100012339221 [0,0,0,0,0,0|4,0,0]=4 87 B14R1.6821 CCNC(=O)c1cc(c(c(c1)Cl)Cl)F 11a_100015525214_200010244527 [0,0,0,0,0,0|4,0,0]=4 88 B14R1.6821 CCNC(=O)c1cc(c(c(c1)Cl)Cl)F 240690a_100015525214_200010244527 [0,0,0,0,0,0|4,0,0]=4 89 B14R1.6821 CCNC(=O)c1cc(c(c(c1)Cl)Cl)F 527a_100015525214_200010244527 [0,0,0,0,0,0|4,0,0]=4 90 B14R1.6821 CCNC(=O)c1cc(c(c(c1)Cl)F)Cl 11a_100015525214_100011934374 [0,0,0,0,0,0|4,0,0]=4 91 B14R1.6821 CCNC(=O)c1cc(c(c(c1)Cl)F)Cl 240690a_100015525214_100011934374 [0,0,0,0,0,0|4,0,0]=4 92 B14R1.6821 CCNC(=O)c1cc(c(c(c1)Cl)F)F 11a_100015525214_100000068011 [0,0,0,0,0,0|4,0,0]=4 93 B14R1.6821 CCNC(=O)c1cc(c(c(c1)Cl)F)F 240690a_100015525214_100000068011 [0,0,0,0,0,0|4,0,0]=4 94 B14R1.6821 CCNC(=O)c1cc(c(c(c1)Cl)F)F 527a_100015525214_100000068011 [0,0,0,0,0,0|4,0,0]=4 95 B14R1.6821 CCNC(=O)c1cc(c(c(c1)Cl)O)Cl 240690a_100015525214_100000184433 [0,0,0,0,0,0|3,0,0]=3 96 B14R1.6821 CCNC(=O)c1cc(c(c(c1)Cl)O)Cl 527a_100015525214_100000184433 [0,0,0,0,0,0|3,0,0]=3 97 B14R1.6821 CCNC(=O)c1cc(c(c(c1)Cl)O)O 240690a_100015525214_200000078382 [0,0,0,0,0,0|2,0,0]=2 98 B14R1.6821 CCNC(=O)c1cc(c(c(c1)F)Br)F 11a_100015525214_100010078405 [0,0,0,0,0,0|4,0,0]=4 99 B14R1.6821 CCNC(=O)c1cc(c(c(c1)F)Br)F 240690a_100015525214_100010078405 [0,0,0,0,0,0|4,0,0]=4 100 B14R1.6821 CCNC(=O)c1cc(c(c(c1)F)Br)F 527a_100015525214_100010078405 [0,0,0,0,0,0|4,0,0]=4 101 B14R1.6821 CCNC(=O)c1cc(c(c(c1)F)C)F 11a_100015525214_100000055762 [0,0,0,0,0,0|4,0,0]=4 102 B14R1.6821 CCNC(=O)c1cc(c(c(c1)F)C)F 240690a_100015525214_100000055762 [0,0,0,0,0,0|4,0,0]=4 103 B14R1.6821 CCNC(=O)c1cc(c(c(c1)F)C)F 527a_100015525214_100000055762 [0,0,0,0,0,0|4,0,0]=4 104 B14R1.6821 CCNC(=O)c1cc(c(c(c1)F)Cl)F 11a_100015525214_100000104779 [0,0,0,0,0,0|4,0,0]=4 105 B14R1.6821 CCNC(=O)c1cc(c(c(c1)F)Cl)F 240690a_100015525214_100000104779 [0,0,0,0,0,0|4,0,0]=4 106 B14R1.6821 CCNC(=O)c1cc(c(c(c1)F)Cl)F 527a_100015525214_100000104779 [0,0,0,0,0,0|4,0,0]=4 107 B14R1.6821 CCNC(=O)c1cc(c(c(c1)F)F)C 11a_100015525214_100000061453 [0,0,0,0,0,0|4,0,0]=4 108 B14R1.6821 CCNC(=O)c1cc(c(c(c1)F)F)C 240690a_100015525214_100000061453 [0,0,0,0,0,0|4,0,0]=4 109 B14R1.6821 CCNC(=O)c1cc(c(c(c1)F)F)C 527a_100015525214_100000061453 [0,0,0,0,0,0|4,0,0]=4 110 B14R1.6821 CCNC(=O)c1cc(c(c(c1)F)F)F 11a_100015525214_100000751656 [0,0,0,0,0,0|4,0,0]=4 111 B14R1.6821 CCNC(=O)c1cc(c(c(c1)F)F)F 240690a_100015525214_100000751656 [0,0,0,0,0,0|4,0,0]=4 112 B14R1.6821 CCNC(=O)c1cc(c(c(c1)F)F)F 527a_100015525214_100000751656 [0,0,0,0,0,0|4,0,0]=4 113 B14R1.6821 CCNC(=O)c1cc(c(c(c1)F)F)O 240690a_100015525214_200000081825 [0,0,0,0,0,0|3,0,0]=3 114 B14R1.6821 CCNC(=O)c1cc(c(c(c1)F)O)F 240690a_100015525214_100000766045 [0,0,0,0,0,0|3,0,0]=3 115 B14R1.6821 CCNC(=O)c1cc(c(c(c1)F)O)F 527a_100015525214_100000766045 [0,0,0,0,0,0|3,0,0]=3 116 B14R1.6821 CCNC(=O)c1cc(c(c(c1)I)C)F 11a_100015525214_100012344050 [0,0,0,0,0,0|4,0,0]=4 117 B14R1.6821 CCNC(=O)c1cc(c(c(c1)I)C)F 240690a_100015525214_100012344050 [0,0,0,0,0,0|4,0,0]=4 118 B14R1.6821 CCNC(=O)c1cc(c(c(c1)I)C)F 527a_100015525214_100012344050 [0,0,0,0,0,0|4,0,0]=4 119 B14R1.6821 CCNC(=O)c1cc(c(c(c1)I)I)I 11a_100015525214_100000033816 [0,0,0,0,0,0|4,0,0]=4 120 B14R1.6821 CCNC(=O)c1cc(c(c(c1)I)I)I 527a_100015525214_100000033816 [0,0,0,0,0,0|4,0,0]=4 121 B14R1.6821 CCNC(=O)c1cc(c(c(c1)I)O)I 240690a_100015525214_100000034356 [0,0,0,0,0,0|3,0,0]=3 122 B14R1.6821 CCNC(=O)c1cc(c(c(c1)I)O)I 527a_100015525214_100000034356 [0,0,0,0,0,0|3,0,0]=3 123 B14R1.6821 CCNC(=O)c1cc(c(c(c1)O)Br)O 240690a_100015525214_100009812877 [0,0,0,0,0,0|2,0,0]=2 124 B14R1.6821 CCNC(=O)c1cc(c(c(c1)O)C)O 240690a_100015525214_100000031928 [0,0,0,0,0,0|2,0,0]=2 125 B14R1.6821 CCNC(=O)c1cc(c(c(c1)O)C)O 527a_100015525214_100000031928 [0,0,0,0,0,0|2,0,0]=2 126 B14R1.6821 CCNC(=O)c1cc(c(c(c1)O)Cl)O 240690a_100015525214_100000074654 [0,0,0,0,0,0|2,0,0]=2 127 B14R1.6821 CCOC(=O)c1cc(c(c(c1)Br)N)O 271570a_203496583355_100009816177 [0,0,0,0,0,0|2,0,0]=2 128 B14R1.6821 CCOC(=O)c1cc(c(c(c1)F)O)F 271570a_203496583355_200015718343 [0,0,0,0,0,0|2,0,0]=2 129 B14R1.6821 CCOC(=O)c1cc(c(c(c1)O)N)C 271570a_203496583355_100010073787 [0,0,0,0,0,0|2,0,0]=2 130 B14R1.6821 CNNC(=O)c1cc(c(c(c1)Br)O)Br 22a_100016993582_100000692688 [0,0,0,0,0,0|4,0,0]=4 131 B14R1.6821 CNNC(=O)c1cc(c(c(c1)Br)O)O 22a_100016993582_200009992764 [0,0,0,0,0,0|3,0,0]=3 132 B14R1.6821 CNNC(=O)c1cc(c(c(c1)C)O)C 22a_100016993582_100011219978 [0,0,0,0,0,0|4,0,0]=4 133 B14R1.6821 CNNC(=O)c1cc(c(c(c1)Cl)O)Cl 22a_100016993582_100000184433 [0,0,0,0,0,0|4,0,0]=4 134 B14R1.6821 CNNC(=O)c1cc(c(c(c1)Cl)O)O 22a_100016993582_200000078382 [0,0,0,0,0,0|3,0,0]=3 135 B14R1.6821 CNNC(=O)c1cc(c(c(c1)F)F)O 22a_100016993582_200000081825 [0,0,0,0,0,0|4,0,0]=4 136 B14R1.6821 CNNC(=O)c1cc(c(c(c1)F)O)F 22a_100016993582_100000766045 [0,0,0,0,0,0|4,0,0]=4 137 B14R1.6821 CNNC(=O)c1cc(c(c(c1)I)O)I 22a_100016993582_100000034356 [0,0,0,0,0,0|4,0,0]=4 138 B14R1.6821 CNNC(=O)c1cc(c(c(c1)O)Br)O 22a_100016993582_100009812877 [0,0,0,0,0,0|3,0,0]=3 139 B14R1.6821 CNNC(=O)c1cc(c(c(c1)O)C)O 22a_100016993582_100000031928 [0,0,0,0,0,0|3,0,0]=3 140 B14R1.6821 CNNC(=O)c1cc(c(c(c1)O)Cl)O 22a_100016993582_100000074654 [0,0,0,0,0,0|3,0,0]=3 141 B14R1.6821 CNNC(=O)c1cc(c(c(c1)O)O)O 22a_100016993582_100000212154 [0,0,0,0,0,0|2,0,0]=2 142 B14R1.6821 Cc1c(cc(cc1O)C(=O)CC#N)O 1458a_100000031928_100011214920 [0,0,0,0,0,0|3,0,1]=4 143 B14R1.6821 Cc1c(cc(cc1O)C(=O)CCF)O 1458a_100000031928_100011217306 [0,0,0,0,0,0|3,0,0]=3 144 B14R1.6821 Cc1c(cc(cc1O)C(=O)CCO)O 1458a_100000031928_100000211926 [0,0,0,0,0,0|3,0,0]=3 145 B14R1.6821 Cc1cc(cc(c1O)C)C(=O)CCF 1458a_100011219978_100011217306 [0,0,0,0,0,0|4,0,0]=4 146 B14R1.6821 Cc1cc(cc(c1O)C)C(=O)CCO 1458a_100011219978_100000211926 [0,0,0,0,0,0|4,0,0]=4 147 B14R1.6821 N#CCC(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100011214920 [0,0,0,0,0,0|3,0,1]=4 148 B14R1.6821 N#CCC(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100011214920 [0,0,0,0,0,0|3,0,1]=4 149 B14R1.6821 N#CCC(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_100011214920 [0,0,0,0,0,0|3,0,1]=4 150 B14R1.6821 N#CCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100011214920 [0,0,0,0,0,0|2,0,1]=3 151 B14R1.6821 O=C(CCF)c1cc(c(c(c1)Br)O)Br 1458a_100000692688_100011217306 [0,0,0,0,0,0|4,0,0]=4 152 B14R1.6821 O=C(CCF)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100011217306 [0,0,0,0,0,0|3,0,0]=3 153 B14R1.6821 O=C(CCF)c1cc(c(c(c1)Cl)O)Cl 1458a_100000184433_100011217306 [0,0,0,0,0,0|4,0,0]=4 154 B14R1.6821 O=C(CCF)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100011217306 [0,0,0,0,0,0|3,0,0]=3 155 B14R1.6821 O=C(CCF)c1cc(c(c(c1)F)F)O 1458a_200000081825_100011217306 [0,0,0,0,0,0|4,0,0]=4 156 B14R1.6821 O=C(CCF)c1cc(c(c(c1)F)O)F 1458a_100000766045_100011217306 [0,0,0,0,0,0|4,0,0]=4 157 B14R1.6821 O=C(CCF)c1cc(c(c(c1)I)O)I 1458a_100000034356_100011217306 [0,0,0,0,0,0|4,0,0]=4 158 B14R1.6821 O=C(CCF)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_100011217306 [0,0,0,0,0,0|3,0,0]=3 159 B14R1.6821 O=C(CCF)c1cc(c(c(c1)O)O)O 1458a_100000212154_100011217306 [0,0,0,0,0,0|2,0,0]=2 160 B14R1.6821 O=C(CCO)c1cc(c(c(c1)Br)O)Br 1458a_100000692688_100000211926 [0,0,0,0,0,0|4,0,0]=4 161 B14R1.6821 O=C(CCO)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100000211926 [0,0,0,0,0,0|3,0,0]=3 162 B14R1.6821 O=C(CCO)c1cc(c(c(c1)Cl)O)Cl 1458a_100000184433_100000211926 [0,0,0,0,0,0|4,0,0]=4 163 B14R1.6821 O=C(CCO)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100000211926 [0,0,0,0,0,0|3,0,0]=3 164 B14R1.6821 O=C(CCO)c1cc(c(c(c1)F)F)O 1458a_200000081825_100000211926 [0,0,0,0,0,0|4,0,0]=4 165 B14R1.6821 O=C(CCO)c1cc(c(c(c1)F)O)F 1458a_100000766045_100000211926 [0,0,0,0,0,0|4,0,0]=4 166 B14R1.6821 O=C(CCO)c1cc(c(c(c1)I)O)I 1458a_100000034356_100000211926 [0,0,0,0,0,0|4,0,0]=4 167 B14R1.6821 O=C(CCO)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_100000211926 [0,0,0,0,0,0|3,0,0]=3 168 B14R1.6821 O=C(CCO)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000211926 [0,0,0,0,0,0|2,0,0]=2 169 B13R1.136 CCCSc1cc(c(c(c1)F)O)O 62a_100000210303_100010114375 [1,0,0,0,0,0|3,0,0]=4 170 B13R1.136 CCCSc1cc(c(c(c1)O)O)O 62a_100000210303_100010658518 [1,0,0,0,0,0|2,0,0]=3 171 B13R1.136 COCSc1cc(c(c(c1)O)O)O 62a_100000766300_100010658518 [1,0,0,0,0,0|3,0,0]=4 172 B13R1.136 CSCSc1cc(c(c(c1)O)O)O 62a_100011218213_100010658518 [1,0,0,0,0,0|3,0,0]=4 173 B13R1.136 OCCSc1cc(c(c(c1)O)O)O 62a_100000211926_100010658518 [1,0,0,0,0,0|3,0,0]=4 174 B13R1.136 Oc1cc(cc(c1O)O)SCCF 62a_100011217306_100010658518 [1,0,0,0,0,0|3,0,0]=4 175 B13R1.450 CCCC(=O)c1cc(cc(c1)Br)Br 1458a_100000687083_100000210303 [1,0,0,0,0,0|3,0,0]=4 176 B13R1.450 CCCC(=O)c1cc(cc(c1)Br)C 1458a_100000760426_100000210303 [1,0,0,0,0,0|3,0,0]=4 177 B13R1.450 CCCC(=O)c1cc(cc(c1)Br)Cl 1458a_100000687899_100000210303 [1,0,0,0,0,0|3,0,0]=4 178 B13R1.450 CCCC(=O)c1cc(cc(c1)Br)F 1458a_100000739618_100000210303 [1,0,0,0,0,0|3,0,0]=4 179 B13R1.450 CCCC(=O)c1cc(cc(c1)Br)O 1458a_100011934545_100000210303 [1,0,0,0,0,0|2,0,0]=3 180 B13R1.450 CCCC(=O)c1cc(cc(c1)C)C 1458a_100000210874_100000210303 [1,0,0,0,0,0|3,0,0]=4 181 B13R1.450 CCCC(=O)c1cc(cc(c1)Cl)C 1458a_100000684526_100000210303 [1,0,0,0,0,0|3,0,0]=4 182 B13R1.450 CCCC(=O)c1cc(cc(c1)Cl)Cl 1458a_100000210701_100000210303 [1,0,0,0,0,0|3,0,0]=4 183 B13R1.450 CCCC(=O)c1cc(cc(c1)Cl)F 1458a_100000685768_100000210303 [1,0,0,0,0,0|3,0,0]=4 184 B13R1.450 CCCC(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_100000210303 [1,0,0,0,0,0|2,0,0]=3 185 B13R1.450 CCCC(=O)c1cc(cc(c1)F)C 1458a_100000763163_100000210303 [1,0,0,0,0,0|3,0,0]=4 186 B13R1.450 CCCC(=O)c1cc(cc(c1)F)F 1458a_100000211655_100000210303 [1,0,0,0,0,0|3,0,0]=4 187 B13R1.450 CCCC(=O)c1cc(cc(c1)F)O 1458a_100012017291_100000210303 [1,0,0,0,0,0|2,0,0]=3 188 B13R1.450 CCCC(=O)c1cc(cc(c1)I)Br 1458a_100000689235_100000210303 [1,0,0,0,0,0|3,0,0]=4 189 B13R1.450 CCCC(=O)c1cc(cc(c1)I)C 1458a_100000729426_100000210303 [1,0,0,0,0,0|3,0,0]=4 190 B13R1.450 CCCC(=O)c1cc(cc(c1)I)Cl 1458a_100012047205_100000210303 [1,0,0,0,0,0|3,0,0]=4 191 B13R1.450 CCCC(=O)c1cc(cc(c1)I)F 1458a_100012047268_100000210303 [1,0,0,0,0,0|3,0,0]=4 192 B13R1.450 CCCC(=O)c1cc(cc(c1)I)I 1458a_100011204819_100000210303 [1,0,0,0,0,0|3,0,0]=4 193 B13R1.450 CCCC(=O)c1cc(cc(c1)O)C 1458a_100000094094_100000210303 [1,0,0,0,0,0|2,0,0]=3 194 B13R1.450 CCNC(=O)c1cc(cc(c1)Br)Br 11a_100015525214_100000687083 [1,0,0,0,0,0|3,0,0]=4 195 B13R1.450 CCNC(=O)c1cc(cc(c1)Br)Br 240690a_100015525214_100000687083 [1,0,0,0,0,0|3,0,0]=4 196 B13R1.450 CCNC(=O)c1cc(cc(c1)Br)Br 527a_100015525214_100000687083 [1,0,0,0,0,0|3,0,0]=4 197 B13R1.450 CCNC(=O)c1cc(cc(c1)Br)C 11a_100015525214_100000760426 [1,0,0,0,0,0|3,0,0]=4 198 B13R1.450 CCNC(=O)c1cc(cc(c1)Br)C 240690a_100015525214_100000760426 [1,0,0,0,0,0|3,0,0]=4 199 B13R1.450 CCNC(=O)c1cc(cc(c1)Br)C 527a_100015525214_100000760426 [1,0,0,0,0,0|3,0,0]=4 200 B13R1.450 CCNC(=O)c1cc(cc(c1)Br)Cl 11a_100015525214_100000687899 [1,0,0,0,0,0|3,0,0]=4 201 B13R1.450 CCNC(=O)c1cc(cc(c1)Br)Cl 240690a_100015525214_100000687899 [1,0,0,0,0,0|3,0,0]=4 202 B13R1.450 CCNC(=O)c1cc(cc(c1)Br)Cl 527a_100015525214_100000687899 [1,0,0,0,0,0|3,0,0]=4 203 B13R1.450 CCNC(=O)c1cc(cc(c1)Br)F 11a_100015525214_100000739618 [1,0,0,0,0,0|3,0,0]=4 204 B13R1.450 CCNC(=O)c1cc(cc(c1)Br)F 240690a_100015525214_100000739618 [1,0,0,0,0,0|3,0,0]=4 205 B13R1.450 CCNC(=O)c1cc(cc(c1)Br)F 527a_100015525214_100000739618 [1,0,0,0,0,0|3,0,0]=4 206 B13R1.450 CCNC(=O)c1cc(cc(c1)Br)O 240690a_100015525214_100011934545 [1,0,0,0,0,0|2,0,0]=3 207 B13R1.450 CCNC(=O)c1cc(cc(c1)Br)O 527a_100015525214_100011934545 [1,0,0,0,0,0|2,0,0]=3 208 B13R1.450 CCNC(=O)c1cc(cc(c1)C)C 11a_100015525214_100000210874 [1,0,0,0,0,0|3,0,0]=4 209 B13R1.450 CCNC(=O)c1cc(cc(c1)C)C 240690a_100015525214_100000210874 [1,0,0,0,0,0|3,0,0]=4 210 B13R1.450 CCNC(=O)c1cc(cc(c1)C)C 527a_100015525214_100000210874 [1,0,0,0,0,0|3,0,0]=4 211 B13R1.450 CCNC(=O)c1cc(cc(c1)Cl)C 11a_100015525214_100000684526 [1,0,0,0,0,0|3,0,0]=4 212 B13R1.450 CCNC(=O)c1cc(cc(c1)Cl)C 240690a_100015525214_100000684526 [1,0,0,0,0,0|3,0,0]=4 213 B13R1.450 CCNC(=O)c1cc(cc(c1)Cl)C 527a_100015525214_100000684526 [1,0,0,0,0,0|3,0,0]=4 214 B13R1.450 CCNC(=O)c1cc(cc(c1)Cl)Cl 11a_100015525214_100000210701 [1,0,0,0,0,0|3,0,0]=4 215 B13R1.450 CCNC(=O)c1cc(cc(c1)Cl)Cl 240690a_100015525214_100000210701 [1,0,0,0,0,0|3,0,0]=4 216 B13R1.450 CCNC(=O)c1cc(cc(c1)Cl)Cl 527a_100015525214_100000210701 [1,0,0,0,0,0|3,0,0]=4 217 B13R1.450 CCNC(=O)c1cc(cc(c1)Cl)F 11a_100015525214_100000685768 [1,0,0,0,0,0|3,0,0]=4 218 B13R1.450 CCNC(=O)c1cc(cc(c1)Cl)F 240690a_100015525214_100000685768 [1,0,0,0,0,0|3,0,0]=4 219 B13R1.450 CCNC(=O)c1cc(cc(c1)Cl)F 527a_100015525214_100000685768 [1,0,0,0,0,0|3,0,0]=4 220 B13R1.450 CCNC(=O)c1cc(cc(c1)Cl)O 240690a_100015525214_100011997059 [1,0,0,0,0,0|2,0,0]=3 221 B13R1.450 CCNC(=O)c1cc(cc(c1)Cl)O 527a_100015525214_100011997059 [1,0,0,0,0,0|2,0,0]=3 222 B13R1.450 CCNC(=O)c1cc(cc(c1)F)C 11a_100015525214_100000763163 [1,0,0,0,0,0|3,0,0]=4 223 B13R1.450 CCNC(=O)c1cc(cc(c1)F)C 240690a_100015525214_100000763163 [1,0,0,0,0,0|3,0,0]=4 224 B13R1.450 CCNC(=O)c1cc(cc(c1)F)C 527a_100015525214_100000763163 [1,0,0,0,0,0|3,0,0]=4 225 B13R1.450 CCNC(=O)c1cc(cc(c1)F)F 11a_100015525214_100000211655 [1,0,0,0,0,0|3,0,0]=4 226 B13R1.450 CCNC(=O)c1cc(cc(c1)F)F 240690a_100015525214_100000211655 [1,0,0,0,0,0|3,0,0]=4 227 B13R1.450 CCNC(=O)c1cc(cc(c1)F)F 527a_100015525214_100000211655 [1,0,0,0,0,0|3,0,0]=4 228 B13R1.450 CCNC(=O)c1cc(cc(c1)F)O 11a_100015525214_100012017291 [1,0,0,0,0,0|2,0,0]=3 229 B13R1.450 CCNC(=O)c1cc(cc(c1)F)O 240690a_100015525214_100012017291 [1,0,0,0,0,0|2,0,0]=3 230 B13R1.450 CCNC(=O)c1cc(cc(c1)F)O 527a_100015525214_100012017291 [1,0,0,0,0,0|2,0,0]=3 231 B13R1.450 CCNC(=O)c1cc(cc(c1)I)Br 11a_100015525214_100000689235 [1,0,0,0,0,0|3,0,0]=4 232 B13R1.450 CCNC(=O)c1cc(cc(c1)I)Br 240690a_100015525214_100000689235 [1,0,0,0,0,0|3,0,0]=4 233 B13R1.450 CCNC(=O)c1cc(cc(c1)I)Br 527a_100015525214_100000689235 [1,0,0,0,0,0|3,0,0]=4 234 B13R1.450 CCNC(=O)c1cc(cc(c1)I)C 11a_100015525214_100000729426 [1,0,0,0,0,0|3,0,0]=4 235 B13R1.450 CCNC(=O)c1cc(cc(c1)I)C 240690a_100015525214_100000729426 [1,0,0,0,0,0|3,0,0]=4 236 B13R1.450 CCNC(=O)c1cc(cc(c1)I)C 527a_100015525214_100000729426 [1,0,0,0,0,0|3,0,0]=4 237 B13R1.450 CCNC(=O)c1cc(cc(c1)I)Cl 11a_100015525214_100012047205 [1,0,0,0,0,0|3,0,0]=4 238 B13R1.450 CCNC(=O)c1cc(cc(c1)I)Cl 240690a_100015525214_100012047205 [1,0,0,0,0,0|3,0,0]=4 239 B13R1.450 CCNC(=O)c1cc(cc(c1)I)Cl 527a_100015525214_100012047205 [1,0,0,0,0,0|3,0,0]=4 240 B13R1.450 CCNC(=O)c1cc(cc(c1)I)F 11a_100015525214_100012047268 [1,0,0,0,0,0|3,0,0]=4 241 B13R1.450 CCNC(=O)c1cc(cc(c1)I)F 240690a_100015525214_100012047268 [1,0,0,0,0,0|3,0,0]=4 242 B13R1.450 CCNC(=O)c1cc(cc(c1)I)F 527a_100015525214_100012047268 [1,0,0,0,0,0|3,0,0]=4 243 B13R1.450 CCNC(=O)c1cc(cc(c1)I)I 11a_100015525214_100011204819 [1,0,0,0,0,0|3,0,0]=4 244 B13R1.450 CCNC(=O)c1cc(cc(c1)I)I 240690a_100015525214_100011204819 [1,0,0,0,0,0|3,0,0]=4 245 B13R1.450 CCNC(=O)c1cc(cc(c1)I)I 527a_100015525214_100011204819 [1,0,0,0,0,0|3,0,0]=4 246 B13R1.450 CCNC(=O)c1cc(cc(c1)O)C 240690a_100015525214_100000094094 [1,0,0,0,0,0|2,0,0]=3 247 B13R1.450 CCNC(=O)c1cc(cc(c1)O)C 527a_100015525214_100000094094 [1,0,0,0,0,0|2,0,0]=3 248 B13R1.450 CCNC(=O)c1cc(cc(c1)O)O 240690a_100015525214_100000690292 [1,0,0,0,0,0|1,0,0]=2 249 B13R1.450 CCNC(=O)c1cc(cc(c1)O)O 527a_100015525214_100000690292 [1,0,0,0,0,0|1,0,0]=2 250 B13R1.450 CCOC(=O)c1cc(cc(c1)Br)O 271570a_203496583355_200012351389 [1,0,0,0,0,0|1,0,0]=2 251 B13R1.450 CCOC(=O)c1cc(cc(c1)F)O 271570a_203496583355_200011295119 [1,0,0,0,0,0|1,0,0]=2 252 B13R1.450 CCOC(=O)c1cc(cc(n1)C)O 271570a_203496583355_100010743377 [1,0,0,0,0,0|2,0,0]=3 253 B13R1.450 CCOC(=O)c1cc(cc(n1)O)C 271570a_203496583355_200000094552 [1,0,0,0,0,0|2,0,0]=3 254 B13R1.450 CCOC(=O)c1cc(nc(c1)O)C 271570a_203496583355_100011830423 [1,0,0,0,0,0|2,0,0]=3 255 B13R1.450 CCOC(=O)c1cc(nc(n1)C)O 271570a_203496583355_100010080588 [1,0,0,0,0,0|3,0,0]=4 256 B13R1.450 CCOC(=O)c1cc(nc(n1)O)C 271570a_203496583355_100011219489 [1,0,0,0,0,0|3,0,0]=4 257 B13R1.450 CNCC(=O)c1cc(cc(c1)O)O 2230a_106832991635_100010006762 [1,0,0,0,0,0|2,0,0]=3 258 B13R1.450 CNCC(=O)c1cc(cc(c1)O)O 34a_100102657272_100010006762 [1,0,0,0,0,0|2,0,0]=3 259 B13R1.450 CNNC(=O)c1cc(cc(c1)Br)O 22a_100016993582_100011934545 [1,0,0,0,0,0|3,0,0]=4 260 B13R1.450 CNNC(=O)c1cc(cc(c1)Cl)O 22a_100016993582_100011997059 [1,0,0,0,0,0|3,0,0]=4 261 B13R1.450 CNNC(=O)c1cc(cc(c1)F)O 22a_100016993582_100012017291 [1,0,0,0,0,0|3,0,0]=4 262 B13R1.450 CNNC(=O)c1cc(cc(c1)O)C 22a_100016993582_100000094094 [1,0,0,0,0,0|3,0,0]=4 263 B13R1.450 CNNC(=O)c1cc(cc(c1)O)O 22a_100016993582_100000690292 [1,0,0,0,0,0|2,0,0]=3 264 B13R1.450 COCC(=O)c1cc(cc(c1)O)O 34a_100138415774_100010006762 [1,0,0,0,0,0|2,0,0]=3 265 B13R1.450 CSCC(=O)c1cc(cc(c1)O)O 62a_100010006762_200000210301 [1,0,0,0,0,0|2,0,0]=3 266 B13R1.450 CSCC(=O)c1cc(cc(c1)O)O 62a_200000210301_100010006762 [1,0,0,0,0,0|2,0,0]=3 267 B13R1.450 Cc1cc(cc(c1)C(=O)CCF)O 1458a_100000094094_100011217306 [1,0,0,0,0,0|3,0,0]=4 268 B13R1.450 Cc1cc(cc(c1)C(=O)CCO)O 1458a_100000094094_100000211926 [1,0,0,0,0,0|3,0,0]=4 269 B13R1.450 O=C(CCF)c1cc(cc(c1)Br)O 1458a_100011934545_100011217306 [1,0,0,0,0,0|3,0,0]=4 270 B13R1.450 O=C(CCF)c1cc(cc(c1)Cl)O 1458a_100011997059_100011217306 [1,0,0,0,0,0|3,0,0]=4 271 B13R1.450 O=C(CCF)c1cc(cc(c1)F)O 1458a_100012017291_100011217306 [1,0,0,0,0,0|3,0,0]=4 272 B13R1.450 O=C(CCO)c1cc(cc(c1)Br)O 1458a_100011934545_100000211926 [1,0,0,0,0,0|3,0,0]=4 273 B13R1.450 O=C(CCO)c1cc(cc(c1)Cl)O 1458a_100011997059_100000211926 [1,0,0,0,0,0|3,0,0]=4 274 B13R1.450 O=C(CCO)c1cc(cc(c1)F)O 1458a_100012017291_100000211926 [1,0,0,0,0,0|3,0,0]=4 275 B13R1.450 [13CH3]SCC(=O)c1cc(cc(c1)O)O 62a_100010006762_200025704644 [1,0,0,0,0,0|2,0,0]=3 276 B13R1.450 [13CH3]SCC(=O)c1cc(cc(c1)O)O 62a_200025704644_100010006762 [1,0,0,0,0,0|2,0,0]=3 277 B13R1.466 C#CCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000184674 [1,0,0,0,0,0|1,0,2]=4 278 B13R1.466 C=CCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000210623 [1,0,0,0,0,0|1,0,2]=4 279 B13R1.466 CCCC(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_100000210303 [1,0,0,0,0,0|3,0,0]=4 280 B13R1.466 CCCC(=O)c1ccc(c(c1)Br)C 1458a_100000186397_100000210303 [1,0,0,0,0,0|3,0,0]=4 281 B13R1.466 CCCC(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_100000210303 [1,0,0,0,0,0|3,0,0]=4 282 B13R1.466 CCCC(=O)c1ccc(c(c1)Br)F 1458a_100000760357_100000210303 [1,0,0,0,0,0|3,0,0]=4 283 B13R1.466 CCCC(=O)c1ccc(c(c1)Br)I 1458a_100000739115_100000210303 [1,0,0,0,0,0|3,0,0]=4 284 B13R1.466 CCCC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100000210303 [1,0,0,0,0,0|2,0,0]=3 285 B13R1.466 CCCC(=O)c1ccc(c(c1)C)Br 1458a_100000692631_100000210303 [1,0,0,0,0,0|3,0,0]=4 286 B13R1.466 CCCC(=O)c1ccc(c(c1)C)C 1458a_100000210898_100000210303 [1,0,0,0,0,0|3,0,0]=4 287 B13R1.466 CCCC(=O)c1ccc(c(c1)C)Cl 1458a_100000686306_100000210303 [1,0,0,0,0,0|3,0,0]=4 288 B13R1.466 CCCC(=O)c1ccc(c(c1)C)F 1458a_100000751819_100000210303 [1,0,0,0,0,0|3,0,0]=4 289 B13R1.466 CCCC(=O)c1ccc(c(c1)C)I 1458a_100000751300_100000210303 [1,0,0,0,0,0|3,0,0]=4 290 B13R1.466 CCCC(=O)c1ccc(c(c1)C)O 1458a_100000685612_100000210303 [1,0,0,0,0,0|2,0,0]=3 291 B13R1.466 CCCC(=O)c1ccc(c(c1)C)O 271570a_203496583355_200012345043 [1,0,0,0,0,0|2,0,0]=3 292 B13R1.466 CCCC(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_100000210303 [1,0,0,0,0,0|3,0,0]=4 293 B13R1.466 CCCC(=O)c1ccc(c(c1)Cl)C 1458a_100000751740_100000210303 [1,0,0,0,0,0|3,0,0]=4 294 B13R1.466 CCCC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_100000210303 [1,0,0,0,0,0|3,0,0]=4 295 B13R1.466 CCCC(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_100000210303 [1,0,0,0,0,0|3,0,0]=4 296 B13R1.466 CCCC(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_100000210303 [1,0,0,0,0,0|3,0,0]=4 297 B13R1.466 CCCC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100000210303 [1,0,0,0,0,0|2,0,0]=3 298 B13R1.466 CCCC(=O)c1ccc(c(c1)F)Br 1458a_100000743946_100000210303 [1,0,0,0,0,0|3,0,0]=4 299 B13R1.466 CCCC(=O)c1ccc(c(c1)F)C 1458a_100000212313_100000210303 [1,0,0,0,0,0|3,0,0]=4 300 B13R1.466 CCCC(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_100000210303 [1,0,0,0,0,0|3,0,0]=4 301 B13R1.466 CCCC(=O)c1ccc(c(c1)F)F 1458a_100000209822_100000210303 [1,0,0,0,0,0|3,0,0]=4 302 B13R1.466 CCCC(=O)c1ccc(c(c1)F)I 1458a_100000062624_100000210303 [1,0,0,0,0,0|3,0,0]=4 303 B13R1.466 CCCC(=O)c1ccc(c(c1)F)O 1458a_100000185466_100000210303 [1,0,0,0,0,0|2,0,0]=3 304 B13R1.466 CCCC(=O)c1ccc(c(c1)I)Br 1458a_100012343876_100000210303 [1,0,0,0,0,0|3,0,0]=4 305 B13R1.466 CCCC(=O)c1ccc(c(c1)I)C 1458a_100000751299_100000210303 [1,0,0,0,0,0|3,0,0]=4 306 B13R1.466 CCCC(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_100000210303 [1,0,0,0,0,0|3,0,0]=4 307 B13R1.466 CCCC(=O)c1ccc(c(c1)I)F 1458a_100000688015_100000210303 [1,0,0,0,0,0|3,0,0]=4 308 B13R1.466 CCCC(=O)c1ccc(c(c1)I)I 1458a_100000725830_100000210303 [1,0,0,0,0,0|3,0,0]=4 309 B13R1.466 CCCC(=O)c1ccc(c(c1)I)O 1458a_100000037485_100000210303 [1,0,0,0,0,0|2,0,0]=3 310 B13R1.466 CCCC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_100000210303 [1,0,0,0,0,0|2,0,0]=3 311 B13R1.466 CCCC(=O)c1ccc(c(c1)O)C 1458a_100000233767_100000210303 [1,0,0,0,0,0|2,0,0]=3 312 B13R1.466 CCCC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_100000210303 [1,0,0,0,0,0|2,0,0]=3 313 B13R1.466 CCCC(=O)c1ccc(c(c1)O)F 1458a_100000035894_100000210303 [1,0,0,0,0,0|2,0,0]=3 314 B13R1.466 CCCC(=O)c1ccc(c(c1)O)I 1458a_100000239334_100000210303 [1,0,0,0,0,0|2,0,0]=3 315 B13R1.466 CCCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000210303 [1,0,0,0,0,0|1,0,0]=2 316 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)Br 11a_100015525214_100012339404 [1,0,0,0,0,0|3,0,0]=4 317 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)Br 240690a_100015525214_100012339404 [1,0,0,0,0,0|3,0,0]=4 318 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)Br 527a_100015525214_100012339404 [1,0,0,0,0,0|3,0,0]=4 319 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)C 11a_100015525214_100000186397 [1,0,0,0,0,0|3,0,0]=4 320 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)C 240690a_100015525214_100000186397 [1,0,0,0,0,0|3,0,0]=4 321 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)C 527a_100015525214_100000186397 [1,0,0,0,0,0|3,0,0]=4 322 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)Cl 11a_100015525214_100000691181 [1,0,0,0,0,0|3,0,0]=4 323 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)Cl 240690a_100015525214_100000691181 [1,0,0,0,0,0|3,0,0]=4 324 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)Cl 527a_100015525214_100000691181 [1,0,0,0,0,0|3,0,0]=4 325 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)F 11a_100015525214_100000760357 [1,0,0,0,0,0|3,0,0]=4 326 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)F 240690a_100015525214_100000760357 [1,0,0,0,0,0|3,0,0]=4 327 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)F 527a_100015525214_100000760357 [1,0,0,0,0,0|3,0,0]=4 328 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)I 11a_100015525214_100000739115 [1,0,0,0,0,0|3,0,0]=4 329 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)I 240690a_100015525214_100000739115 [1,0,0,0,0,0|3,0,0]=4 330 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)I 527a_100015525214_100000739115 [1,0,0,0,0,0|3,0,0]=4 331 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)O 240690a_100015525214_100000189672 [1,0,0,0,0,0|2,0,0]=3 332 B13R1.466 CCNC(=O)c1ccc(c(c1)C)Br 11a_100015525214_100000692631 [1,0,0,0,0,0|3,0,0]=4 333 B13R1.466 CCNC(=O)c1ccc(c(c1)C)Br 240690a_100015525214_100000692631 [1,0,0,0,0,0|3,0,0]=4 334 B13R1.466 CCNC(=O)c1ccc(c(c1)C)Br 527a_100015525214_100000692631 [1,0,0,0,0,0|3,0,0]=4 335 B13R1.466 CCNC(=O)c1ccc(c(c1)C)C 11a_100015525214_100000210898 [1,0,0,0,0,0|3,0,0]=4 336 B13R1.466 CCNC(=O)c1ccc(c(c1)C)C 240690a_100015525214_100000210898 [1,0,0,0,0,0|3,0,0]=4 337 B13R1.466 CCNC(=O)c1ccc(c(c1)C)C 527a_100015525214_100000210898 [1,0,0,0,0,0|3,0,0]=4 338 B13R1.466 CCNC(=O)c1ccc(c(c1)C)Cl 11a_100015525214_100000686306 [1,0,0,0,0,0|3,0,0]=4 339 B13R1.466 CCNC(=O)c1ccc(c(c1)C)Cl 240690a_100015525214_100000686306 [1,0,0,0,0,0|3,0,0]=4 340 B13R1.466 CCNC(=O)c1ccc(c(c1)C)Cl 527a_100015525214_100000686306 [1,0,0,0,0,0|3,0,0]=4 341 B13R1.466 CCNC(=O)c1ccc(c(c1)C)F 11a_100015525214_100000751819 [1,0,0,0,0,0|3,0,0]=4 342 B13R1.466 CCNC(=O)c1ccc(c(c1)C)F 240690a_100015525214_100000751819 [1,0,0,0,0,0|3,0,0]=4 343 B13R1.466 CCNC(=O)c1ccc(c(c1)C)F 527a_100015525214_100000751819 [1,0,0,0,0,0|3,0,0]=4 344 B13R1.466 CCNC(=O)c1ccc(c(c1)C)I 11a_100015525214_100000751300 [1,0,0,0,0,0|3,0,0]=4 345 B13R1.466 CCNC(=O)c1ccc(c(c1)C)I 240690a_100015525214_100000751300 [1,0,0,0,0,0|3,0,0]=4 346 B13R1.466 CCNC(=O)c1ccc(c(c1)C)I 527a_100015525214_100000751300 [1,0,0,0,0,0|3,0,0]=4 347 B13R1.466 CCNC(=O)c1ccc(c(c1)C)O 240690a_100015525214_100000685612 [1,0,0,0,0,0|2,0,0]=3 348 B13R1.466 CCNC(=O)c1ccc(c(c1)C)O 271570a_203496583355_200012357431 [1,0,0,0,0,0|2,0,0]=3 349 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)Br 11a_100015525214_100000687082 [1,0,0,0,0,0|3,0,0]=4 350 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)Br 240690a_100015525214_100000687082 [1,0,0,0,0,0|3,0,0]=4 351 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)Br 527a_100015525214_100000687082 [1,0,0,0,0,0|3,0,0]=4 352 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)C 11a_100015525214_100000751740 [1,0,0,0,0,0|3,0,0]=4 353 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)C 240690a_100015525214_100000751740 [1,0,0,0,0,0|3,0,0]=4 354 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)C 527a_100015525214_100000751740 [1,0,0,0,0,0|3,0,0]=4 355 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)Cl 11a_100015525214_100000210401 [1,0,0,0,0,0|3,0,0]=4 356 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)Cl 240690a_100015525214_100000210401 [1,0,0,0,0,0|3,0,0]=4 357 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)Cl 527a_100015525214_100000210401 [1,0,0,0,0,0|3,0,0]=4 358 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)F 11a_100015525214_100000686462 [1,0,0,0,0,0|3,0,0]=4 359 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)F 240690a_100015525214_100000686462 [1,0,0,0,0,0|3,0,0]=4 360 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)F 527a_100015525214_100000686462 [1,0,0,0,0,0|3,0,0]=4 361 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)I 11a_100015525214_100000684831 [1,0,0,0,0,0|3,0,0]=4 362 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)I 240690a_100015525214_100000684831 [1,0,0,0,0,0|3,0,0]=4 363 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)I 527a_100015525214_100000684831 [1,0,0,0,0,0|3,0,0]=4 364 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)O 240690a_100015525214_100000212196 [1,0,0,0,0,0|2,0,0]=3 365 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)O 527a_100015525214_100000212196 [1,0,0,0,0,0|2,0,0]=3 366 B13R1.466 CCNC(=O)c1ccc(c(c1)F)Br 11a_100015525214_100000743946 [1,0,0,0,0,0|3,0,0]=4 367 B13R1.466 CCNC(=O)c1ccc(c(c1)F)Br 240690a_100015525214_100000743946 [1,0,0,0,0,0|3,0,0]=4 368 B13R1.466 CCNC(=O)c1ccc(c(c1)F)Br 527a_100015525214_100000743946 [1,0,0,0,0,0|3,0,0]=4 369 B13R1.466 CCNC(=O)c1ccc(c(c1)F)C 11a_100015525214_100000212313 [1,0,0,0,0,0|3,0,0]=4 370 B13R1.466 CCNC(=O)c1ccc(c(c1)F)C 240690a_100015525214_100000212313 [1,0,0,0,0,0|3,0,0]=4 371 B13R1.466 CCNC(=O)c1ccc(c(c1)F)C 527a_100015525214_100000212313 [1,0,0,0,0,0|3,0,0]=4 372 B13R1.466 CCNC(=O)c1ccc(c(c1)F)Cl 11a_100015525214_100000743183 [1,0,0,0,0,0|3,0,0]=4 373 B13R1.466 CCNC(=O)c1ccc(c(c1)F)Cl 240690a_100015525214_100000743183 [1,0,0,0,0,0|3,0,0]=4 374 B13R1.466 CCNC(=O)c1ccc(c(c1)F)Cl 527a_100015525214_100000743183 [1,0,0,0,0,0|3,0,0]=4 375 B13R1.466 CCNC(=O)c1ccc(c(c1)F)F 11a_100015525214_100000209822 [1,0,0,0,0,0|3,0,0]=4 376 B13R1.466 CCNC(=O)c1ccc(c(c1)F)F 240690a_100015525214_100000209822 [1,0,0,0,0,0|3,0,0]=4 377 B13R1.466 CCNC(=O)c1ccc(c(c1)F)F 527a_100015525214_100000209822 [1,0,0,0,0,0|3,0,0]=4 378 B13R1.466 CCNC(=O)c1ccc(c(c1)F)I 11a_100015525214_100000062624 [1,0,0,0,0,0|3,0,0]=4 379 B13R1.466 CCNC(=O)c1ccc(c(c1)F)I 240690a_100015525214_100000062624 [1,0,0,0,0,0|3,0,0]=4 380 B13R1.466 CCNC(=O)c1ccc(c(c1)F)I 527a_100015525214_100000062624 [1,0,0,0,0,0|3,0,0]=4 381 B13R1.466 CCNC(=O)c1ccc(c(c1)F)O 240690a_100015525214_100000185466 [1,0,0,0,0,0|2,0,0]=3 382 B13R1.466 CCNC(=O)c1ccc(c(c1)F)O 527a_100015525214_100000185466 [1,0,0,0,0,0|2,0,0]=3 383 B13R1.466 CCNC(=O)c1ccc(c(c1)I)Br 11a_100015525214_100012343876 [1,0,0,0,0,0|3,0,0]=4 384 B13R1.466 CCNC(=O)c1ccc(c(c1)I)Br 240690a_100015525214_100012343876 [1,0,0,0,0,0|3,0,0]=4 385 B13R1.466 CCNC(=O)c1ccc(c(c1)I)Br 527a_100015525214_100012343876 [1,0,0,0,0,0|3,0,0]=4 386 B13R1.466 CCNC(=O)c1ccc(c(c1)I)C 11a_100015525214_100000751299 [1,0,0,0,0,0|3,0,0]=4 387 B13R1.466 CCNC(=O)c1ccc(c(c1)I)C 240690a_100015525214_100000751299 [1,0,0,0,0,0|3,0,0]=4 388 B13R1.466 CCNC(=O)c1ccc(c(c1)I)C 527a_100015525214_100000751299 [1,0,0,0,0,0|3,0,0]=4 389 B13R1.466 CCNC(=O)c1ccc(c(c1)I)Cl 11a_100015525214_100000739381 [1,0,0,0,0,0|3,0,0]=4 390 B13R1.466 CCNC(=O)c1ccc(c(c1)I)Cl 240690a_100015525214_100000739381 [1,0,0,0,0,0|3,0,0]=4 391 B13R1.466 CCNC(=O)c1ccc(c(c1)I)Cl 527a_100015525214_100000739381 [1,0,0,0,0,0|3,0,0]=4 392 B13R1.466 CCNC(=O)c1ccc(c(c1)I)F 11a_100015525214_100000688015 [1,0,0,0,0,0|3,0,0]=4 393 B13R1.466 CCNC(=O)c1ccc(c(c1)I)F 240690a_100015525214_100000688015 [1,0,0,0,0,0|3,0,0]=4 394 B13R1.466 CCNC(=O)c1ccc(c(c1)I)F 527a_100015525214_100000688015 [1,0,0,0,0,0|3,0,0]=4 395 B13R1.466 CCNC(=O)c1ccc(c(c1)I)I 11a_100015525214_100000725830 [1,0,0,0,0,0|3,0,0]=4 396 B13R1.466 CCNC(=O)c1ccc(c(c1)I)I 240690a_100015525214_100000725830 [1,0,0,0,0,0|3,0,0]=4 397 B13R1.466 CCNC(=O)c1ccc(c(c1)I)I 527a_100015525214_100000725830 [1,0,0,0,0,0|3,0,0]=4 398 B13R1.466 CCNC(=O)c1ccc(c(c1)I)O 240690a_100015525214_100000037485 [1,0,0,0,0,0|2,0,0]=3 399 B13R1.466 CCNC(=O)c1ccc(c(c1)O)Br 240690a_100015525214_100000689001 [1,0,0,0,0,0|2,0,0]=3 400 B13R1.466 CCNC(=O)c1ccc(c(c1)O)Br 527a_100015525214_100000689001 [1,0,0,0,0,0|2,0,0]=3 401 B13R1.466 CCNC(=O)c1ccc(c(c1)O)C 240690a_100015525214_100000233767 [1,0,0,0,0,0|2,0,0]=3 402 B13R1.466 CCNC(=O)c1ccc(c(c1)O)Cl 240690a_100015525214_100011933997 [1,0,0,0,0,0|2,0,0]=3 403 B13R1.466 CCNC(=O)c1ccc(c(c1)O)Cl 527a_100015525214_100011933997 [1,0,0,0,0,0|2,0,0]=3 404 B13R1.466 CCNC(=O)c1ccc(c(c1)O)F 240690a_100015525214_100000035894 [1,0,0,0,0,0|2,0,0]=3 405 B13R1.466 CCNC(=O)c1ccc(c(c1)O)F 271570a_203496583355_200012359900 [1,0,0,0,0,0|2,0,0]=3 406 B13R1.466 CCNC(=O)c1ccc(c(c1)O)F 527a_100015525214_100000035894 [1,0,0,0,0,0|2,0,0]=3 407 B13R1.466 CCNC(=O)c1ccc(c(c1)O)I 240690a_100015525214_100000239334 [1,0,0,0,0,0|2,0,0]=3 408 B13R1.466 CCNC(=O)c1ccc(c(c1)O)I 527a_100015525214_100000239334 [1,0,0,0,0,0|2,0,0]=3 409 B13R1.466 CCOC(=O)c1cc(c(cn1)C)O 271570a_203496583355_100009880029 [1,0,0,0,0,0|2,0,0]=3 410 B13R1.466 CCOC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100011294787 [1,0,0,0,0,0|1,0,0]=2 411 B13R1.466 CCOC(=O)c1ccc(c(c1)C)O 271570a_203496583355_100012229600 [1,0,0,0,0,0|1,0,0]=2 412 B13R1.466 CCOC(=O)c1ccc(c(c1)Cl)O 271570a_203496583355_200012351148 [1,0,0,0,0,0|1,0,0]=2 413 B13R1.466 CCOC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100011533738 [1,0,0,0,0,0|1,0,0]=2 414 B13R1.466 CCOC(=O)c1ccc(c(c1)N)O 271570a_203496583355_200011450955 [1,0,0,0,0,0|1,0,0]=2 415 B13R1.466 CCOC(=O)c1ccc(c(c1)O)C 271570a_203496583355_100012359631 [1,0,0,0,0,0|1,0,0]=2 416 B13R1.466 CCOC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100011934563 [1,0,0,0,0,0|1,0,0]=2 417 B13R1.466 CCOC(=O)c1ccc(c(c1)O)N 271570a_203496583355_100161115259 [1,0,0,0,0,0|1,0,0]=2 418 B13R1.466 CCOC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100009812659 [1,0,0,0,0,0|0,0,0]=1 419 B13R1.466 CCOC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100012355281 [1,0,0,0,0,0|0,0,0]=1 420 B13R1.466 CCOC(=O)c1ccc(c(n1)O)C 271570a_203496583355_200009853511 [1,0,0,0,0,0|2,0,0]=3 421 B13R1.466 CCOC(=O)c1ccc(c(n1)O)O 271570a_203496583355_100010189761 [1,0,0,0,0,0|1,0,0]=2 422 B13R1.466 CCOC(=O)c1cnc(c(c1)O)N 271570a_203496583355_100009816805 [1,0,0,0,0,0|2,0,0]=3 423 B13R1.466 CCOC(=O)c1cnc(c(c1)O)O 271570a_203496583355_100010004467 [1,0,0,0,0,0|1,0,0]=2 424 B13R1.466 CCOC(=O)c1cnc(c(c1)O)O 271570a_203496583355_100010179890 [1,0,0,0,0,0|1,0,0]=2 425 B13R1.466 CNCC(=O)c1ccc(c(c1)Cl)O 7a_106832991635_200010170092 [1,0,0,0,0,0|3,0,0]=4 426 B13R1.466 CNCC(=O)c1ccc(c(c1)O)O 7a_106832991635_100000183813 [1,0,0,0,0,0|2,0,0]=3 427 B13R1.466 CNNC(=O)c1ccc(c(c1)Br)O 22a_100016993582_100000189672 [1,0,0,0,0,0|3,0,0]=4 428 B13R1.466 CNNC(=O)c1ccc(c(c1)C)O 22a_100016993582_100000685612 [1,0,0,0,0,0|3,0,0]=4 429 B13R1.466 CNNC(=O)c1ccc(c(c1)Cl)O 22a_100016993582_100000212196 [1,0,0,0,0,0|3,0,0]=4 430 B13R1.466 CNNC(=O)c1ccc(c(c1)F)O 22a_100016993582_100000185466 [1,0,0,0,0,0|3,0,0]=4 431 B13R1.466 CNNC(=O)c1ccc(c(c1)I)O 22a_100016993582_100000037485 [1,0,0,0,0,0|3,0,0]=4 432 B13R1.466 CNNC(=O)c1ccc(c(c1)O)Br 22a_100016993582_100000689001 [1,0,0,0,0,0|3,0,0]=4 433 B13R1.466 CNNC(=O)c1ccc(c(c1)O)C 22a_100016993582_100000233767 [1,0,0,0,0,0|3,0,0]=4 434 B13R1.466 CNNC(=O)c1ccc(c(c1)O)Cl 22a_100016993582_100011933997 [1,0,0,0,0,0|3,0,0]=4 435 B13R1.466 CNNC(=O)c1ccc(c(c1)O)F 22a_100016993582_100000035894 [1,0,0,0,0,0|3,0,0]=4 436 B13R1.466 CNNC(=O)c1ccc(c(c1)O)I 22a_100016993582_100000239334 [1,0,0,0,0,0|3,0,0]=4 437 B13R1.466 CSCC(=O)c1ccc(c(c1)Cl)O 62a_200000210301_200010170092 [1,0,0,0,0,0|3,0,0]=4 438 B13R1.466 CSCC(=O)c1ccc(c(c1)Cl)O 62a_200010170092_200000210301 [1,0,0,0,0,0|3,0,0]=4 439 B13R1.466 CSCC(=O)c1ccc(c(c1)O)O 62a_200000210301_100000183813 [1,0,0,0,0,0|2,0,0]=3 440 B13R1.466 Cc1cc(ccc1O)C(=O)CCF 1458a_100000685612_100011217306 [1,0,0,0,0,0|3,0,0]=4 441 B13R1.466 Cc1cc(ccc1O)C(=O)CCO 1458a_100000685612_100000211926 [1,0,0,0,0,0|3,0,0]=4 442 B13R1.466 Cc1ccc(cc1O)C(=O)CCF 1458a_100000233767_100011217306 [1,0,0,0,0,0|3,0,0]=4 443 B13R1.466 Cc1ccc(cc1O)C(=O)CCO 1458a_100000233767_100000211926 [1,0,0,0,0,0|3,0,0]=4 444 B13R1.466 N#CCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100011214920 [1,0,0,0,0,0|2,0,1]=4 445 B13R1.466 O=C(CCF)c1ccc(c(c1)Br)O 1458a_100000189672_100011217306 [1,0,0,0,0,0|3,0,0]=4 446 B13R1.466 O=C(CCF)c1ccc(c(c1)Cl)O 1458a_100000212196_100011217306 [1,0,0,0,0,0|3,0,0]=4 447 B13R1.466 O=C(CCF)c1ccc(c(c1)F)O 1458a_100000185466_100011217306 [1,0,0,0,0,0|3,0,0]=4 448 B13R1.466 O=C(CCF)c1ccc(c(c1)I)O 1458a_100000037485_100011217306 [1,0,0,0,0,0|3,0,0]=4 449 B13R1.466 O=C(CCF)c1ccc(c(c1)O)Br 1458a_100000689001_100011217306 [1,0,0,0,0,0|3,0,0]=4 450 B13R1.466 O=C(CCF)c1ccc(c(c1)O)Cl 1458a_100011933997_100011217306 [1,0,0,0,0,0|3,0,0]=4 451 B13R1.466 O=C(CCF)c1ccc(c(c1)O)F 1458a_100000035894_100011217306 [1,0,0,0,0,0|3,0,0]=4 452 B13R1.466 O=C(CCF)c1ccc(c(c1)O)I 1458a_100000239334_100011217306 [1,0,0,0,0,0|3,0,0]=4 453 B13R1.466 O=C(CCF)c1ccc(c(c1)O)O 1458a_100000212155_100011217306 [1,0,0,0,0,0|2,0,0]=3 454 B13R1.466 O=C(CCO)c1ccc(c(c1)Br)O 1458a_100000189672_100000211926 [1,0,0,0,0,0|3,0,0]=4 455 B13R1.466 O=C(CCO)c1ccc(c(c1)Cl)O 1458a_100000212196_100000211926 [1,0,0,0,0,0|3,0,0]=4 456 B13R1.466 O=C(CCO)c1ccc(c(c1)F)O 1458a_100000185466_100000211926 [1,0,0,0,0,0|3,0,0]=4 457 B13R1.466 O=C(CCO)c1ccc(c(c1)I)O 1458a_100000037485_100000211926 [1,0,0,0,0,0|3,0,0]=4 458 B13R1.466 O=C(CCO)c1ccc(c(c1)O)Br 1458a_100000689001_100000211926 [1,0,0,0,0,0|3,0,0]=4 459 B13R1.466 O=C(CCO)c1ccc(c(c1)O)Cl 1458a_100011933997_100000211926 [1,0,0,0,0,0|3,0,0]=4 460 B13R1.466 O=C(CCO)c1ccc(c(c1)O)F 1458a_100000035894_100000211926 [1,0,0,0,0,0|3,0,0]=4 461 B13R1.466 O=C(CCO)c1ccc(c(c1)O)I 1458a_100000239334_100000211926 [1,0,0,0,0,0|3,0,0]=4 462 B13R1.466 O=C(CCO)c1ccc(c(c1)O)O 1458a_100000212155_100000211926 [1,0,0,0,0,0|2,0,0]=3 463 B13R1.466 [13CH3]SCC(=O)c1ccc(c(c1)Cl)O 62a_200010170092_200025704644 [1,0,0,0,0,0|3,0,0]=4 464 B13R1.466 [13CH3]SCC(=O)c1ccc(c(c1)Cl)O 62a_200025704644_200010170092 [1,0,0,0,0,0|3,0,0]=4 465 B13R1.466 [13CH3]SCC(=O)c1ccc(c(c1)O)O 62a_200025704644_100000183813 [1,0,0,0,0,0|2,0,0]=3 466 B13R1.2678 CCC(=O)c1cc(c(c(c1)Br)C)Br 1458a_100000187602_100000210202 [1,0,0,0,0,0|3,0,0]=4 467 B13R1.2678 CCC(=O)c1cc(c(c(c1)Br)C)F 1458a_200012347618_100000210202 [1,0,0,0,0,0|3,0,0]=4 468 B13R1.2678 CCC(=O)c1cc(c(c(c1)Br)Cl)Cl 1458a_200012920480_100000210202 [1,0,0,0,0,0|3,0,0]=4 469 B13R1.2678 CCC(=O)c1cc(c(c(c1)Br)Cl)F 1458a_100010291025_100000210202 [1,0,0,0,0,0|3,0,0]=4 470 B13R1.2678 CCC(=O)c1cc(c(c(c1)Br)F)F 1458a_100010259547_100000210202 [1,0,0,0,0,0|3,0,0]=4 471 B13R1.2678 CCC(=O)c1cc(c(c(c1)Br)O)Br 1458a_100000692688_100000210202 [1,0,0,0,0,0|2,0,0]=3 472 B13R1.2678 CCC(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100000210202 [1,0,0,0,0,0|1,0,0]=2 473 B13R1.2678 CCC(=O)c1cc(c(c(c1)C)Br)C 1458a_100000700660_100000210202 [1,0,0,0,0,0|3,0,0]=4 474 B13R1.2678 CCC(=O)c1cc(c(c(c1)C)C)C 1458a_100000075298_100000210202 [1,0,0,0,0,0|3,0,0]=4 475 B13R1.2678 CCC(=O)c1cc(c(c(c1)C)Cl)C 1458a_100000102532_100000210202 [1,0,0,0,0,0|3,0,0]=4 476 B13R1.2678 CCC(=O)c1cc(c(c(c1)C)F)C 1458a_100000741972_100000210202 [1,0,0,0,0,0|3,0,0]=4 477 B13R1.2678 CCC(=O)c1cc(c(c(c1)C)I)C 1458a_100010769667_100000210202 [1,0,0,0,0,0|3,0,0]=4 478 B13R1.2678 CCC(=O)c1cc(c(c(c1)C)O)C 1458a_100011219978_100000210202 [1,0,0,0,0,0|2,0,0]=3 479 B13R1.2678 CCC(=O)c1cc(c(c(c1)Cl)Br)Cl 1458a_100012354307_100000210202 [1,0,0,0,0,0|3,0,0]=4 480 B13R1.2678 CCC(=O)c1cc(c(c(c1)Cl)C)Cl 1458a_100012356007_100000210202 [1,0,0,0,0,0|3,0,0]=4 481 B13R1.2678 CCC(=O)c1cc(c(c(c1)Cl)Cl)Cl 1458a_100012339221_100000210202 [1,0,0,0,0,0|3,0,0]=4 482 B13R1.2678 CCC(=O)c1cc(c(c(c1)Cl)Cl)F 1458a_200010244527_100000210202 [1,0,0,0,0,0|3,0,0]=4 483 B13R1.2678 CCC(=O)c1cc(c(c(c1)Cl)F)Cl 1458a_100011934374_100000210202 [1,0,0,0,0,0|3,0,0]=4 484 B13R1.2678 CCC(=O)c1cc(c(c(c1)Cl)F)F 1458a_100000068011_100000210202 [1,0,0,0,0,0|3,0,0]=4 485 B13R1.2678 CCC(=O)c1cc(c(c(c1)Cl)O)Cl 1458a_100000184433_100000210202 [1,0,0,0,0,0|2,0,0]=3 486 B13R1.2678 CCC(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100000210202 [1,0,0,0,0,0|1,0,0]=2 487 B13R1.2678 CCC(=O)c1cc(c(c(c1)F)Br)F 1458a_100010078405_100000210202 [1,0,0,0,0,0|3,0,0]=4 488 B13R1.2678 CCC(=O)c1cc(c(c(c1)F)C)F 1458a_100000055762_100000210202 [1,0,0,0,0,0|3,0,0]=4 489 B13R1.2678 CCC(=O)c1cc(c(c(c1)F)Cl)F 1458a_100000104779_100000210202 [1,0,0,0,0,0|3,0,0]=4 490 B13R1.2678 CCC(=O)c1cc(c(c(c1)F)F)C 1458a_100000061453_100000210202 [1,0,0,0,0,0|3,0,0]=4 491 B13R1.2678 CCC(=O)c1cc(c(c(c1)F)F)F 1458a_100000751656_100000210202 [1,0,0,0,0,0|3,0,0]=4 492 B13R1.2678 CCC(=O)c1cc(c(c(c1)F)F)O 1458a_200000081825_100000210202 [1,0,0,0,0,0|2,0,0]=3 493 B13R1.2678 CCC(=O)c1cc(c(c(c1)F)O)F 1458a_100000766045_100000210202 [1,0,0,0,0,0|2,0,0]=3 494 B13R1.2678 CCC(=O)c1cc(c(c(c1)I)C)F 1458a_100012344050_100000210202 [1,0,0,0,0,0|3,0,0]=4 495 B13R1.2678 CCC(=O)c1cc(c(c(c1)I)I)I 1458a_100000033816_100000210202 [1,0,0,0,0,0|3,0,0]=4 496 B13R1.2678 CCC(=O)c1cc(c(c(c1)I)O)I 1458a_100000034356_100000210202 [1,0,0,0,0,0|2,0,0]=3 497 B13R1.2678 CCC(=O)c1cc(c(c(c1)O)C)O 1458a_100000031928_100000210202 [1,0,0,0,0,0|1,0,0]=2 498 B13R1.2678 CCC(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_100000210202 [1,0,0,0,0,0|1,0,0]=2 499 B13R1.2678 CCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000210202 [1,0,0,0,0,0|0,0,0]=1 500 B13R1.2678 CNC(=O)c1cc(c(c(c1)Br)O)Br 240690a_100102657272_100000692688 [1,0,0,0,0,0|3,0,0]=4 501 B13R1.2678 CNC(=O)c1cc(c(c(c1)Br)O)Br 527a_100102657272_100000692688 [1,0,0,0,0,0|3,0,0]=4 502 B13R1.2678 CNC(=O)c1cc(c(c(c1)Br)O)O 240690a_100102657272_200009992764 [1,0,0,0,0,0|2,0,0]=3 503 B13R1.2678 CNC(=O)c1cc(c(c(c1)C)O)C 240690a_100102657272_100011219978 [1,0,0,0,0,0|3,0,0]=4 504 B13R1.2678 CNC(=O)c1cc(c(c(c1)C)O)C 527a_100102657272_100011219978 [1,0,0,0,0,0|3,0,0]=4 505 B13R1.2678 CNC(=O)c1cc(c(c(c1)Cl)O)Cl 240690a_100102657272_100000184433 [1,0,0,0,0,0|3,0,0]=4 506 B13R1.2678 CNC(=O)c1cc(c(c(c1)Cl)O)Cl 527a_100102657272_100000184433 [1,0,0,0,0,0|3,0,0]=4 507 B13R1.2678 CNC(=O)c1cc(c(c(c1)Cl)O)O 240690a_100102657272_200000078382 [1,0,0,0,0,0|2,0,0]=3 508 B13R1.2678 CNC(=O)c1cc(c(c(c1)F)F)O 240690a_100102657272_200000081825 [1,0,0,0,0,0|3,0,0]=4 509 B13R1.2678 CNC(=O)c1cc(c(c(c1)F)O)F 240690a_100102657272_100000766045 [1,0,0,0,0,0|3,0,0]=4 510 B13R1.2678 CNC(=O)c1cc(c(c(c1)F)O)F 527a_100102657272_100000766045 [1,0,0,0,0,0|3,0,0]=4 511 B13R1.2678 CNC(=O)c1cc(c(c(c1)I)O)I 1626a_100102657272_100000034356 [1,0,0,0,0,0|3,0,0]=4 512 B13R1.2678 CNC(=O)c1cc(c(c(c1)I)O)I 240690a_100102657272_100000034356 [1,0,0,0,0,0|3,0,0]=4 513 B13R1.2678 CNC(=O)c1cc(c(c(c1)I)O)I 527a_100102657272_100000034356 [1,0,0,0,0,0|3,0,0]=4 514 B13R1.2678 CNC(=O)c1cc(c(c(c1)O)Br)O 240690a_100102657272_100009812877 [1,0,0,0,0,0|2,0,0]=3 515 B13R1.2678 CNC(=O)c1cc(c(c(c1)O)C)O 240690a_100102657272_100000031928 [1,0,0,0,0,0|2,0,0]=3 516 B13R1.2678 CNC(=O)c1cc(c(c(c1)O)C)O 527a_100102657272_100000031928 [1,0,0,0,0,0|2,0,0]=3 517 B13R1.2678 CNC(=O)c1cc(c(c(c1)O)Cl)O 240690a_100102657272_100000074654 [1,0,0,0,0,0|2,0,0]=3 518 B13R1.2678 COC(=O)c1cc(c(=O)n(c1)C)O 271570a_203496583355_200010887340 [1,0,0,0,0,0|2,0,1]=4 519 B13R1.2678 COC(=O)c1cc(c(c(c1)Br)O)Cl 271570a_203496583355_100012361296 [1,0,0,0,0,0|2,0,0]=3 520 B13R1.2678 COC(=O)c1cc(c(c(c1)C)O)C 271570a_203496583355_100010209423 [1,0,0,0,0,0|2,0,0]=3 521 B13R1.2678 COC(=O)c1cc(c(c(c1)Cl)C)O 271570a_203496583355_100012360618 [1,0,0,0,0,0|2,0,0]=3 522 B13R1.2678 COC(=O)c1cc(c(c(c1)Cl)O)O 271570a_203496583355_100135280131 [1,0,0,0,0,0|1,0,0]=2 523 B13R1.2678 COC(=O)c1cc(c(c(c1)F)C)O 271570a_203496583355_100012920391 [1,0,0,0,0,0|2,0,0]=3 524 B13R1.2678 COC(=O)c1cc(c(c(c1)F)F)O 271570a_203496583355_100010189562 [1,0,0,0,0,0|2,0,0]=3 525 B13R1.2678 COC(=O)c1cc(c(c(c1)F)N)O 271570a_203496583355_100010170820 [1,0,0,0,0,0|2,0,0]=3 526 B13R1.2678 COC(=O)c1cc(c(c(c1)F)O)F 271570a_203496583355_200010155432 [1,0,0,0,0,0|2,0,0]=3 527 B13R1.2678 COC(=O)c1cc(c(c(c1)O)C)N 271570a_203496583355_100012353609 [1,0,0,0,0,0|2,0,0]=3 528 B13R1.2678 COC(=O)c1cc(c(c(c1)O)F)N 271570a_203496583355_200010713629 [1,0,0,0,0,0|2,0,0]=3 529 B13R1.2678 COC(=O)c1cc(c(c(c1)O)N)C 271570a_203496583355_100010177015 [1,0,0,0,0,0|2,0,0]=3 530 B13R1.2678 COC(=O)c1cc(c(c(c1)O)N)N 271570a_203496583355_100010128412 [1,0,0,0,0,0|2,0,0]=3 531 B13R1.2678 COC(=O)c1cc(c(c(c1)O)O)N 271570a_203496583355_100010372079 [1,0,0,0,0,0|1,0,0]=2 532 B13R1.2678 COC(=O)c1cc(c(c(c1)O)O)O 271570a_203496583355_100010192586 [1,0,0,0,0,0|0,0,0]=1 533 B13R1.2678 Cc1c(cc(cc1O)C(=O)CF)O 1458a_100000031928_100015361967 [1,0,0,0,0,0|2,0,0]=3 534 B13R1.2678 Cc1cc(cc(c1O)C)C(=O)CF 1458a_100011219978_100015361967 [1,0,0,0,0,0|3,0,0]=4 535 B13R1.2678 O=C(CF)c1cc(c(c(c1)Br)O)Br 1458a_100000692688_100015361967 [1,0,0,0,0,0|3,0,0]=4 536 B13R1.2678 O=C(CF)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100015361967 [1,0,0,0,0,0|2,0,0]=3 537 B13R1.2678 O=C(CF)c1cc(c(c(c1)Cl)O)Cl 1458a_100000184433_100015361967 [1,0,0,0,0,0|3,0,0]=4 538 B13R1.2678 O=C(CF)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100015361967 [1,0,0,0,0,0|2,0,0]=3 539 B13R1.2678 O=C(CF)c1cc(c(c(c1)F)F)O 1458a_200000081825_100015361967 [1,0,0,0,0,0|3,0,0]=4 540 B13R1.2678 O=C(CF)c1cc(c(c(c1)F)O)F 1458a_100000766045_100015361967 [1,0,0,0,0,0|3,0,0]=4 541 B13R1.2678 O=C(CF)c1cc(c(c(c1)I)O)I 1458a_100000034356_100015361967 [1,0,0,0,0,0|3,0,0]=4 542 B13R1.2678 O=C(CF)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_100015361967 [1,0,0,0,0,0|2,0,0]=3 543 B13R1.2678 O=C(CF)c1cc(c(c(c1)O)O)O 1458a_100000212154_100015361967 [1,0,0,0,0,0|1,0,0]=2 544 B15R1.2886 C#CC(C)C(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_200000035995 [0,1,0,0,0,0|1,0,2]=4 545 B15R1.2886 CC(C#N)C(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000703298 [0,1,0,0,0,0|2,0,1]=4 546 B15R1.2886 CCC(C)C(=O)c1cc(c(c(c1)Br)O)Br 1458a_100000692688_100000758301 [0,1,0,0,0,0|3,0,0]=4 547 B15R1.2886 CCC(C)C(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100000758301 [0,1,0,0,0,0|2,0,0]=3 548 B15R1.2886 CCC(C)C(=O)c1cc(c(c(c1)C)O)C 1458a_100011219978_100000758301 [0,1,0,0,0,0|3,0,0]=4 549 B15R1.2886 CCC(C)C(=O)c1cc(c(c(c1)Cl)O)Cl 1458a_100000184433_100000758301 [0,1,0,0,0,0|3,0,0]=4 550 B15R1.2886 CCC(C)C(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100000758301 [0,1,0,0,0,0|2,0,0]=3 551 B15R1.2886 CCC(C)C(=O)c1cc(c(c(c1)F)F)O 1458a_200000081825_100000758301 [0,1,0,0,0,0|3,0,0]=4 552 B15R1.2886 CCC(C)C(=O)c1cc(c(c(c1)F)O)F 1458a_100000766045_100000758301 [0,1,0,0,0,0|3,0,0]=4 553 B15R1.2886 CCC(C)C(=O)c1cc(c(c(c1)I)O)I 1458a_100000034356_100000758301 [0,1,0,0,0,0|3,0,0]=4 554 B15R1.2886 CCC(C)C(=O)c1cc(c(c(c1)O)C)O 1458a_100000031928_100000758301 [0,1,0,0,0,0|2,0,0]=3 555 B15R1.2886 CCC(C)C(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_100000758301 [0,1,0,0,0,0|2,0,0]=3 556 B15R1.2886 CCC(C)C(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000758301 [0,1,0,0,0,0|1,0,0]=2 557 B15R1.2886 CCN(C)C(=O)c1cc(c(c(c1)Br)O)Br 240690a_100000225621_100000692688 [0,1,0,0,0,0|3,0,0]=4 558 B15R1.2886 CCN(C)C(=O)c1cc(c(c(c1)Br)O)Br 527a_100000225621_100000692688 [0,1,0,0,0,0|3,0,0]=4 559 B15R1.2886 CCN(C)C(=O)c1cc(c(c(c1)Br)O)O 240690a_100000225621_200009992764 [0,1,0,0,0,0|2,0,0]=3 560 B15R1.2886 CCN(C)C(=O)c1cc(c(c(c1)C)O)C 240690a_100000225621_100011219978 [0,1,0,0,0,0|3,0,0]=4 561 B15R1.2886 CCN(C)C(=O)c1cc(c(c(c1)C)O)C 527a_100000225621_100011219978 [0,1,0,0,0,0|3,0,0]=4 562 B15R1.2886 CCN(C)C(=O)c1cc(c(c(c1)Cl)O)Cl 240690a_100000225621_100000184433 [0,1,0,0,0,0|3,0,0]=4 563 B15R1.2886 CCN(C)C(=O)c1cc(c(c(c1)Cl)O)Cl 527a_100000225621_100000184433 [0,1,0,0,0,0|3,0,0]=4 564 B15R1.2886 CCN(C)C(=O)c1cc(c(c(c1)Cl)O)O 240690a_100000225621_200000078382 [0,1,0,0,0,0|2,0,0]=3 565 B15R1.2886 CCN(C)C(=O)c1cc(c(c(c1)F)F)O 240690a_100000225621_200000081825 [0,1,0,0,0,0|3,0,0]=4 566 B15R1.2886 CCN(C)C(=O)c1cc(c(c(c1)F)O)F 240690a_100000225621_100000766045 [0,1,0,0,0,0|3,0,0]=4 567 B15R1.2886 CCN(C)C(=O)c1cc(c(c(c1)F)O)F 527a_100000225621_100000766045 [0,1,0,0,0,0|3,0,0]=4 568 B15R1.2886 CCN(C)C(=O)c1cc(c(c(c1)I)O)I 1626a_100000225621_100000034356 [0,1,0,0,0,0|3,0,0]=4 569 B15R1.2886 CCN(C)C(=O)c1cc(c(c(c1)I)O)I 240690a_100000225621_100000034356 [0,1,0,0,0,0|3,0,0]=4 570 B15R1.2886 CCN(C)C(=O)c1cc(c(c(c1)I)O)I 527a_100000225621_100000034356 [0,1,0,0,0,0|3,0,0]=4 571 B15R1.2886 CCN(C)C(=O)c1cc(c(c(c1)O)Br)O 240690a_100000225621_100009812877 [0,1,0,0,0,0|2,0,0]=3 572 B15R1.2886 CCN(C)C(=O)c1cc(c(c(c1)O)C)O 240690a_100000225621_100000031928 [0,1,0,0,0,0|2,0,0]=3 573 B15R1.2886 CCN(C)C(=O)c1cc(c(c(c1)O)C)O 527a_100000225621_100000031928 [0,1,0,0,0,0|2,0,0]=3 574 B15R1.2886 CCN(C)C(=O)c1cc(c(c(c1)O)Cl)O 240690a_100000225621_100000074654 [0,1,0,0,0,0|2,0,0]=3 575 B15R1.5924 C#CCCC(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100000753159 [0,1,0,0,0,0|2,0,1]=4 576 B15R1.5924 C#CCCC(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100000753159 [0,1,0,0,0,0|2,0,1]=4 577 B15R1.5924 C#CCCC(=O)c1cc(c(c(c1)O)C)O 1458a_100000031928_100000753159 [0,1,0,0,0,0|2,0,1]=4 578 B15R1.5924 C#CCCC(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_100000753159 [0,1,0,0,0,0|2,0,1]=4 579 B15R1.5924 C#CCCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000753159 [0,1,0,0,0,0|1,0,1]=3 580 B15R1.5924 C#CCNC(=O)c1cc(c(c(c1)Br)O)O 240690a_100000212058_200009992764 [0,1,0,0,0,0|2,0,1]=4 581 B15R1.5924 C#CCNC(=O)c1cc(c(c(c1)Cl)O)O 240690a_100000212058_200000078382 [0,1,0,0,0,0|2,0,1]=4 582 B15R1.5924 C#CCNC(=O)c1cc(c(c(c1)O)Br)O 240690a_100000212058_100009812877 [0,1,0,0,0,0|2,0,1]=4 583 B15R1.5924 C#CCNC(=O)c1cc(c(c(c1)O)C)O 240690a_100000212058_100000031928 [0,1,0,0,0,0|2,0,1]=4 584 B15R1.5924 C#CCNC(=O)c1cc(c(c(c1)O)C)O 527a_100000212058_100000031928 [0,1,0,0,0,0|2,0,1]=4 585 B15R1.5924 C#CCNC(=O)c1cc(c(c(c1)O)Cl)O 240690a_100000212058_100000074654 [0,1,0,0,0,0|2,0,1]=4 586 B15R1.5924 C/C=C/CC(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100102629194 [0,1,0,0,0,0|2,0,1]=4 587 B15R1.5924 C/C=C/CC(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100102629194 [0,1,0,0,0,0|2,0,1]=4 588 B15R1.5924 C/C=C/CC(=O)c1cc(c(c(c1)O)C)O 1458a_100000031928_100102629194 [0,1,0,0,0,0|2,0,1]=4 589 B15R1.5924 C/C=C/CC(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_100102629194 [0,1,0,0,0,0|2,0,1]=4 590 B15R1.5924 C/C=C/CC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100102629194 [0,1,0,0,0,0|1,0,1]=3 591 B15R1.5924 C=CCCC(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100000754431 [0,1,0,0,0,0|2,0,1]=4 592 B15R1.5924 C=CCCC(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100000754431 [0,1,0,0,0,0|2,0,1]=4 593 B15R1.5924 C=CCCC(=O)c1cc(c(c(c1)O)C)O 1458a_100000031928_100000754431 [0,1,0,0,0,0|2,0,1]=4 594 B15R1.5924 C=CCCC(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_100000754431 [0,1,0,0,0,0|2,0,1]=4 595 B15R1.5924 C=CCCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000754431 [0,1,0,0,0,0|1,0,1]=3 596 B15R1.5924 C=CCNC(=O)c1cc(c(c(c1)Br)O)O 240690a_100020586998_200009992764 [0,1,0,0,0,0|2,0,1]=4 597 B15R1.5924 C=CCNC(=O)c1cc(c(c(c1)Cl)O)O 240690a_100020586998_200000078382 [0,1,0,0,0,0|2,0,1]=4 598 B15R1.5924 C=CCNC(=O)c1cc(c(c(c1)O)Br)O 240690a_100020586998_100009812877 [0,1,0,0,0,0|2,0,1]=4 599 B15R1.5924 C=CCNC(=O)c1cc(c(c(c1)O)C)O 240690a_100020586998_100000031928 [0,1,0,0,0,0|2,0,1]=4 600 B15R1.5924 C=CCNC(=O)c1cc(c(c(c1)O)C)O 527a_100020586998_100000031928 [0,1,0,0,0,0|2,0,1]=4 601 B15R1.5924 C=CCNC(=O)c1cc(c(c(c1)O)Cl)O 240690a_100020586998_100000074654 [0,1,0,0,0,0|2,0,1]=4 602 B15R1.5924 CC#CCC(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100000748600 [0,1,0,0,0,0|2,0,1]=4 603 B15R1.5924 CC#CCC(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100000748600 [0,1,0,0,0,0|2,0,1]=4 604 B15R1.5924 CC#CCC(=O)c1cc(c(c(c1)O)C)O 1458a_100000031928_100000748600 [0,1,0,0,0,0|2,0,1]=4 605 B15R1.5924 CC#CCC(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_100000748600 [0,1,0,0,0,0|2,0,1]=4 606 B15R1.5924 CC#CCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000748600 [0,1,0,0,0,0|1,0,1]=3 607 B15R1.5924 CC=CCC(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100000070051 [0,1,0,0,0,0|2,0,1]=4 608 B15R1.5924 CC=CCC(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100000070051 [0,1,0,0,0,0|2,0,1]=4 609 B15R1.5924 CC=CCC(=O)c1cc(c(c(c1)O)C)O 1458a_100000031928_100000070051 [0,1,0,0,0,0|2,0,1]=4 610 B15R1.5924 CC=CCC(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_100000070051 [0,1,0,0,0,0|2,0,1]=4 611 B15R1.5924 CC=CCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000070051 [0,1,0,0,0,0|1,0,1]=3 612 B15R1.5924 CCCCC(=O)c1cc(c(c(c1)Br)O)Br 1458a_100000692688_100000210211 [0,1,0,0,0,0|3,0,0]=4 613 B15R1.5924 CCCCC(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100000210211 [0,1,0,0,0,0|2,0,0]=3 614 B15R1.5924 CCCCC(=O)c1cc(c(c(c1)C)O)C 1458a_100011219978_100000210211 [0,1,0,0,0,0|3,0,0]=4 615 B15R1.5924 CCCCC(=O)c1cc(c(c(c1)Cl)O)Cl 1458a_100000184433_100000210211 [0,1,0,0,0,0|3,0,0]=4 616 B15R1.5924 CCCCC(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100000210211 [0,1,0,0,0,0|2,0,0]=3 617 B15R1.5924 CCCCC(=O)c1cc(c(c(c1)F)F)O 1458a_200000081825_100000210211 [0,1,0,0,0,0|3,0,0]=4 618 B15R1.5924 CCCCC(=O)c1cc(c(c(c1)F)O)F 1458a_100000766045_100000210211 [0,1,0,0,0,0|3,0,0]=4 619 B15R1.5924 CCCCC(=O)c1cc(c(c(c1)I)O)I 1458a_100000034356_100000210211 [0,1,0,0,0,0|3,0,0]=4 620 B15R1.5924 CCCCC(=O)c1cc(c(c(c1)O)C)O 1458a_100000031928_100000210211 [0,1,0,0,0,0|2,0,0]=3 621 B15R1.5924 CCCCC(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_100000210211 [0,1,0,0,0,0|2,0,0]=3 622 B15R1.5924 CCCCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000210211 [0,1,0,0,0,0|1,0,0]=2 623 B15R1.5924 CCCNC(=O)c1cc(c(c(c1)Br)O)Br 240690a_100020643023_100000692688 [0,1,0,0,0,0|3,0,0]=4 624 B15R1.5924 CCCNC(=O)c1cc(c(c(c1)Br)O)Br 527a_100020643023_100000692688 [0,1,0,0,0,0|3,0,0]=4 625 B15R1.5924 CCCNC(=O)c1cc(c(c(c1)Br)O)O 240690a_100020643023_200009992764 [0,1,0,0,0,0|2,0,0]=3 626 B15R1.5924 CCCNC(=O)c1cc(c(c(c1)C)O)C 240690a_100020643023_100011219978 [0,1,0,0,0,0|3,0,0]=4 627 B15R1.5924 CCCNC(=O)c1cc(c(c(c1)C)O)C 527a_100020643023_100011219978 [0,1,0,0,0,0|3,0,0]=4 628 B15R1.5924 CCCNC(=O)c1cc(c(c(c1)Cl)O)Cl 240690a_100020643023_100000184433 [0,1,0,0,0,0|3,0,0]=4 629 B15R1.5924 CCCNC(=O)c1cc(c(c(c1)Cl)O)Cl 527a_100020643023_100000184433 [0,1,0,0,0,0|3,0,0]=4 630 B15R1.5924 CCCNC(=O)c1cc(c(c(c1)Cl)O)O 240690a_100020643023_200000078382 [0,1,0,0,0,0|2,0,0]=3 631 B15R1.5924 CCCNC(=O)c1cc(c(c(c1)F)F)O 240690a_100020643023_200000081825 [0,1,0,0,0,0|3,0,0]=4 632 B15R1.5924 CCCNC(=O)c1cc(c(c(c1)F)O)F 240690a_100020643023_100000766045 [0,1,0,0,0,0|3,0,0]=4 633 B15R1.5924 CCCNC(=O)c1cc(c(c(c1)F)O)F 527a_100020643023_100000766045 [0,1,0,0,0,0|3,0,0]=4 634 B15R1.5924 CCCNC(=O)c1cc(c(c(c1)I)O)I 1626a_100020643023_100000034356 [0,1,0,0,0,0|3,0,0]=4 635 B15R1.5924 CCCNC(=O)c1cc(c(c(c1)I)O)I 240690a_100020643023_100000034356 [0,1,0,0,0,0|3,0,0]=4 636 B15R1.5924 CCCNC(=O)c1cc(c(c(c1)I)O)I 527a_100020643023_100000034356 [0,1,0,0,0,0|3,0,0]=4 637 B15R1.5924 CCCNC(=O)c1cc(c(c(c1)O)Br)O 240690a_100020643023_100009812877 [0,1,0,0,0,0|2,0,0]=3 638 B15R1.5924 CCCNC(=O)c1cc(c(c(c1)O)C)O 240690a_100020643023_100000031928 [0,1,0,0,0,0|2,0,0]=3 639 B15R1.5924 CCCNC(=O)c1cc(c(c(c1)O)C)O 527a_100020643023_100000031928 [0,1,0,0,0,0|2,0,0]=3 640 B15R1.5924 CCCNC(=O)c1cc(c(c(c1)O)Cl)O 240690a_100020643023_100000074654 [0,1,0,0,0,0|2,0,0]=3 641 B15R1.5924 CCNNC(=O)c1cc(c(c(c1)Br)O)Br 22a_100000756455_100000692688 [0,1,0,0,0,0|3,0,0]=4 642 B15R1.5924 CCNNC(=O)c1cc(c(c(c1)Br)O)O 22a_100000756455_200009992764 [0,1,0,0,0,0|2,0,0]=3 643 B15R1.5924 CCNNC(=O)c1cc(c(c(c1)C)O)C 22a_100000756455_100011219978 [0,1,0,0,0,0|3,0,0]=4 644 B15R1.5924 CCNNC(=O)c1cc(c(c(c1)Cl)O)Cl 22a_100000756455_100000184433 [0,1,0,0,0,0|3,0,0]=4 645 B15R1.5924 CCNNC(=O)c1cc(c(c(c1)Cl)O)O 22a_100000756455_200000078382 [0,1,0,0,0,0|2,0,0]=3 646 B15R1.5924 CCNNC(=O)c1cc(c(c(c1)F)F)O 22a_100000756455_200000081825 [0,1,0,0,0,0|3,0,0]=4 647 B15R1.5924 CCNNC(=O)c1cc(c(c(c1)F)O)F 22a_100000756455_100000766045 [0,1,0,0,0,0|3,0,0]=4 648 B15R1.5924 CCNNC(=O)c1cc(c(c(c1)I)O)I 22a_100000756455_100000034356 [0,1,0,0,0,0|3,0,0]=4 649 B15R1.5924 CCNNC(=O)c1cc(c(c(c1)O)Br)O 22a_100000756455_100009812877 [0,1,0,0,0,0|2,0,0]=3 650 B15R1.5924 CCNNC(=O)c1cc(c(c(c1)O)C)O 22a_100000756455_100000031928 [0,1,0,0,0,0|2,0,0]=3 651 B15R1.5924 CCNNC(=O)c1cc(c(c(c1)O)Cl)O 22a_100000756455_100000074654 [0,1,0,0,0,0|2,0,0]=3 652 B15R1.5924 CCNNC(=O)c1cc(c(c(c1)O)O)O 22a_100000756455_100000212154 [0,1,0,0,0,0|1,0,0]=2 653 B15R1.5924 COCCC(=O)c1cc(c(c(c1)Br)O)Br 1458a_100000692688_100000233755 [0,1,0,0,0,0|3,0,0]=4 654 B15R1.5924 COCCC(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100000233755 [0,1,0,0,0,0|2,0,0]=3 655 B15R1.5924 COCCC(=O)c1cc(c(c(c1)C)O)C 1458a_100011219978_100000233755 [0,1,0,0,0,0|3,0,0]=4 656 B15R1.5924 COCCC(=O)c1cc(c(c(c1)Cl)O)Cl 1458a_100000184433_100000233755 [0,1,0,0,0,0|3,0,0]=4 657 B15R1.5924 COCCC(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100000233755 [0,1,0,0,0,0|2,0,0]=3 658 B15R1.5924 COCCC(=O)c1cc(c(c(c1)F)F)O 1458a_200000081825_100000233755 [0,1,0,0,0,0|3,0,0]=4 659 B15R1.5924 COCCC(=O)c1cc(c(c(c1)F)O)F 1458a_100000766045_100000233755 [0,1,0,0,0,0|3,0,0]=4 660 B15R1.5924 COCCC(=O)c1cc(c(c(c1)I)O)I 1458a_100000034356_100000233755 [0,1,0,0,0,0|3,0,0]=4 661 B15R1.5924 COCCC(=O)c1cc(c(c(c1)O)C)O 1458a_100000031928_100000233755 [0,1,0,0,0,0|2,0,0]=3 662 B15R1.5924 COCCC(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_100000233755 [0,1,0,0,0,0|2,0,0]=3 663 B15R1.5924 COCCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000233755 [0,1,0,0,0,0|1,0,0]=2 664 B15R1.5924 CSCCC(=O)c1cc(c(c(c1)Br)O)Br 1458a_100000692688_100000751147 [0,1,0,0,0,0|3,0,0]=4 665 B15R1.5924 CSCCC(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100000751147 [0,1,0,0,0,0|2,0,0]=3 666 B15R1.5924 CSCCC(=O)c1cc(c(c(c1)C)O)C 1458a_100011219978_100000751147 [0,1,0,0,0,0|3,0,0]=4 667 B15R1.5924 CSCCC(=O)c1cc(c(c(c1)Cl)O)Cl 1458a_100000184433_100000751147 [0,1,0,0,0,0|3,0,0]=4 668 B15R1.5924 CSCCC(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100000751147 [0,1,0,0,0,0|2,0,0]=3 669 B15R1.5924 CSCCC(=O)c1cc(c(c(c1)F)F)O 1458a_200000081825_100000751147 [0,1,0,0,0,0|3,0,0]=4 670 B15R1.5924 CSCCC(=O)c1cc(c(c(c1)F)O)F 1458a_100000766045_100000751147 [0,1,0,0,0,0|3,0,0]=4 671 B15R1.5924 CSCCC(=O)c1cc(c(c(c1)I)O)I 1458a_100000034356_100000751147 [0,1,0,0,0,0|3,0,0]=4 672 B15R1.5924 CSCCC(=O)c1cc(c(c(c1)O)C)O 1458a_100000031928_100000751147 [0,1,0,0,0,0|2,0,0]=3 673 B15R1.5924 CSCCC(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_100000751147 [0,1,0,0,0,0|2,0,0]=3 674 B15R1.5924 CSCCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000751147 [0,1,0,0,0,0|1,0,0]=2 675 B15R1.5924 Cc1c(cc(cc1O)C(=O)CCC#N)O 1458a_100000031928_100011215226 [0,1,0,0,0,0|2,0,1]=4 676 B15R1.5924 Cc1c(cc(cc1O)C(=O)CCCF)O 1458a_100000031928_100011934791 [0,1,0,0,0,0|2,0,0]=3 677 B15R1.5924 Cc1c(cc(cc1O)C(=O)CCCO)O 1458a_100000031928_100011215043 [0,1,0,0,0,0|2,0,0]=3 678 B15R1.5924 Cc1c(cc(cc1O)C(=O)NCC#N)O 527a_100000734998_100000031928 [0,1,0,0,0,0|2,0,1]=4 679 B15R1.5924 Cc1c(cc(cc1O)C(=O)NCCF)O 240690a_100000724931_100000031928 [0,1,0,0,0,0|2,0,0]=3 680 B15R1.5924 Cc1c(cc(cc1O)C(=O)NCCF)O 527a_100000724931_100000031928 [0,1,0,0,0,0|2,0,0]=3 681 B15R1.5924 Cc1c(cc(cc1O)C(=O)NCCO)O 240690a_100000210304_100000031928 [0,1,0,0,0,0|2,0,0]=3 682 B15R1.5924 Cc1c(cc(cc1O)C(=O)NCCO)O 527a_100000210304_100000031928 [0,1,0,0,0,0|2,0,0]=3 683 B15R1.5924 Cc1cc(cc(c1O)C)C(=O)CCCF 1458a_100011219978_100011934791 [0,1,0,0,0,0|3,0,0]=4 684 B15R1.5924 Cc1cc(cc(c1O)C)C(=O)CCCO 1458a_100011219978_100011215043 [0,1,0,0,0,0|3,0,0]=4 685 B15R1.5924 Cc1cc(cc(c1O)C)C(=O)NCCF 240690a_100000724931_100011219978 [0,1,0,0,0,0|3,0,0]=4 686 B15R1.5924 Cc1cc(cc(c1O)C)C(=O)NCCF 527a_100000724931_100011219978 [0,1,0,0,0,0|3,0,0]=4 687 B15R1.5924 Cc1cc(cc(c1O)C)C(=O)NCCO 240690a_100000210304_100011219978 [0,1,0,0,0,0|3,0,0]=4 688 B15R1.5924 Cc1cc(cc(c1O)C)C(=O)NCCO 527a_100000210304_100011219978 [0,1,0,0,0,0|3,0,0]=4 689 B15R1.5924 N#CCCC(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100011215226 [0,1,0,0,0,0|2,0,1]=4 690 B15R1.5924 N#CCCC(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100011215226 [0,1,0,0,0,0|2,0,1]=4 691 B15R1.5924 N#CCCC(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_100011215226 [0,1,0,0,0,0|2,0,1]=4 692 B15R1.5924 N#CCCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100011215226 [0,1,0,0,0,0|1,0,1]=3 693 B15R1.5924 O=C(CCCF)c1cc(c(c(c1)Br)O)Br 1458a_100000692688_100011934791 [0,1,0,0,0,0|3,0,0]=4 694 B15R1.5924 O=C(CCCF)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100011934791 [0,1,0,0,0,0|2,0,0]=3 695 B15R1.5924 O=C(CCCF)c1cc(c(c(c1)Cl)O)Cl 1458a_100000184433_100011934791 [0,1,0,0,0,0|3,0,0]=4 696 B15R1.5924 O=C(CCCF)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100011934791 [0,1,0,0,0,0|2,0,0]=3 697 B15R1.5924 O=C(CCCF)c1cc(c(c(c1)F)F)O 1458a_200000081825_100011934791 [0,1,0,0,0,0|3,0,0]=4 698 B15R1.5924 O=C(CCCF)c1cc(c(c(c1)F)O)F 1458a_100000766045_100011934791 [0,1,0,0,0,0|3,0,0]=4 699 B15R1.5924 O=C(CCCF)c1cc(c(c(c1)I)O)I 1458a_100000034356_100011934791 [0,1,0,0,0,0|3,0,0]=4 700 B15R1.5924 O=C(CCCF)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_100011934791 [0,1,0,0,0,0|2,0,0]=3 701 B15R1.5924 O=C(CCCF)c1cc(c(c(c1)O)O)O 1458a_100000212154_100011934791 [0,1,0,0,0,0|1,0,0]=2 702 B15R1.5924 O=C(CCCO)c1cc(c(c(c1)Br)O)Br 1458a_100000692688_100011215043 [0,1,0,0,0,0|3,0,0]=4 703 B15R1.5924 O=C(CCCO)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100011215043 [0,1,0,0,0,0|2,0,0]=3 704 B15R1.5924 O=C(CCCO)c1cc(c(c(c1)Cl)O)Cl 1458a_100000184433_100011215043 [0,1,0,0,0,0|3,0,0]=4 705 B15R1.5924 O=C(CCCO)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100011215043 [0,1,0,0,0,0|2,0,0]=3 706 B15R1.5924 O=C(CCCO)c1cc(c(c(c1)F)F)O 1458a_200000081825_100011215043 [0,1,0,0,0,0|3,0,0]=4 707 B15R1.5924 O=C(CCCO)c1cc(c(c(c1)F)O)F 1458a_100000766045_100011215043 [0,1,0,0,0,0|3,0,0]=4 708 B15R1.5924 O=C(CCCO)c1cc(c(c(c1)I)O)I 1458a_100000034356_100011215043 [0,1,0,0,0,0|3,0,0]=4 709 B15R1.5924 O=C(CCCO)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_100011215043 [0,1,0,0,0,0|2,0,0]=3 710 B15R1.5924 O=C(CCCO)c1cc(c(c(c1)O)O)O 1458a_100000212154_100011215043 [0,1,0,0,0,0|1,0,0]=2 711 B15R1.5924 O=C(NCCF)c1cc(c(c(c1)Br)O)Br 240690a_100000724931_100000692688 [0,1,0,0,0,0|3,0,0]=4 712 B15R1.5924 O=C(NCCF)c1cc(c(c(c1)Br)O)Br 527a_100000724931_100000692688 [0,1,0,0,0,0|3,0,0]=4 713 B15R1.5924 O=C(NCCF)c1cc(c(c(c1)Br)O)O 240690a_100000724931_200009992764 [0,1,0,0,0,0|2,0,0]=3 714 B15R1.5924 O=C(NCCF)c1cc(c(c(c1)Cl)O)Cl 240690a_100000724931_100000184433 [0,1,0,0,0,0|3,0,0]=4 715 B15R1.5924 O=C(NCCF)c1cc(c(c(c1)Cl)O)Cl 527a_100000724931_100000184433 [0,1,0,0,0,0|3,0,0]=4 716 B15R1.5924 O=C(NCCF)c1cc(c(c(c1)Cl)O)O 240690a_100000724931_200000078382 [0,1,0,0,0,0|2,0,0]=3 717 B15R1.5924 O=C(NCCF)c1cc(c(c(c1)F)F)O 240690a_100000724931_200000081825 [0,1,0,0,0,0|3,0,0]=4 718 B15R1.5924 O=C(NCCF)c1cc(c(c(c1)F)O)F 240690a_100000724931_100000766045 [0,1,0,0,0,0|3,0,0]=4 719 B15R1.5924 O=C(NCCF)c1cc(c(c(c1)F)O)F 527a_100000724931_100000766045 [0,1,0,0,0,0|3,0,0]=4 720 B15R1.5924 O=C(NCCF)c1cc(c(c(c1)I)O)I 1626a_100000724931_100000034356 [0,1,0,0,0,0|3,0,0]=4 721 B15R1.5924 O=C(NCCF)c1cc(c(c(c1)I)O)I 240690a_100000724931_100000034356 [0,1,0,0,0,0|3,0,0]=4 722 B15R1.5924 O=C(NCCF)c1cc(c(c(c1)I)O)I 527a_100000724931_100000034356 [0,1,0,0,0,0|3,0,0]=4 723 B15R1.5924 O=C(NCCF)c1cc(c(c(c1)O)Br)O 240690a_100000724931_100009812877 [0,1,0,0,0,0|2,0,0]=3 724 B15R1.5924 O=C(NCCF)c1cc(c(c(c1)O)Cl)O 240690a_100000724931_100000074654 [0,1,0,0,0,0|2,0,0]=3 725 B15R1.5924 O=C(NCCO)c1cc(c(c(c1)Br)O)Br 240690a_100000210304_100000692688 [0,1,0,0,0,0|3,0,0]=4 726 B15R1.5924 O=C(NCCO)c1cc(c(c(c1)Br)O)Br 527a_100000210304_100000692688 [0,1,0,0,0,0|3,0,0]=4 727 B15R1.5924 O=C(NCCO)c1cc(c(c(c1)Br)O)O 240690a_100000210304_200009992764 [0,1,0,0,0,0|2,0,0]=3 728 B15R1.5924 O=C(NCCO)c1cc(c(c(c1)Cl)O)Cl 240690a_100000210304_100000184433 [0,1,0,0,0,0|3,0,0]=4 729 B15R1.5924 O=C(NCCO)c1cc(c(c(c1)Cl)O)Cl 527a_100000210304_100000184433 [0,1,0,0,0,0|3,0,0]=4 730 B15R1.5924 O=C(NCCO)c1cc(c(c(c1)Cl)O)O 240690a_100000210304_200000078382 [0,1,0,0,0,0|2,0,0]=3 731 B15R1.5924 O=C(NCCO)c1cc(c(c(c1)F)F)O 240690a_100000210304_200000081825 [0,1,0,0,0,0|3,0,0]=4 732 B15R1.5924 O=C(NCCO)c1cc(c(c(c1)F)O)F 240690a_100000210304_100000766045 [0,1,0,0,0,0|3,0,0]=4 733 B15R1.5924 O=C(NCCO)c1cc(c(c(c1)F)O)F 527a_100000210304_100000766045 [0,1,0,0,0,0|3,0,0]=4 734 B15R1.5924 O=C(NCCO)c1cc(c(c(c1)I)O)I 240690a_100000210304_100000034356 [0,1,0,0,0,0|3,0,0]=4 735 B15R1.5924 O=C(NCCO)c1cc(c(c(c1)I)O)I 527a_100000210304_100000034356 [0,1,0,0,0,0|3,0,0]=4 736 B15R1.5924 O=C(NCCO)c1cc(c(c(c1)O)Br)O 240690a_100000210304_100009812877 [0,1,0,0,0,0|2,0,0]=3 737 B15R1.5924 O=C(NCCO)c1cc(c(c(c1)O)Cl)O 240690a_100000210304_100000074654 [0,1,0,0,0,0|2,0,0]=3 738 B15R1.9719 CCCC(=O)c1cc(c(c(c1F)F)O)F 1458a_100000088966_100000210303 [0,1,0,0,0,0|3,0,0]=4 739 B15R1.9719 CCCC(=O)c1cc(c(c(c1F)O)F)F 1458a_100000737090_100000210303 [0,1,0,0,0,0|3,0,0]=4 740 B15R1.9719 CCNC(=O)c1cc(c(c(c1F)F)O)F 240690a_100015525214_100000088966 [0,1,0,0,0,0|3,0,0]=4 741 B15R1.9719 CCNC(=O)c1cc(c(c(c1F)O)F)F 240690a_100015525214_100000737090 [0,1,0,0,0,0|3,0,0]=4 742 B15R1.28954 C=C(C)CC(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100000748629 [0,1,0,0,0,0|2,0,1]=4 743 B15R1.28954 C=C(C)CC(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100000748629 [0,1,0,0,0,0|2,0,1]=4 744 B15R1.28954 C=C(C)CC(=O)c1cc(c(c(c1)O)C)O 1458a_100000031928_100000748629 [0,1,0,0,0,0|2,0,1]=4 745 B15R1.28954 C=C(C)CC(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_100000748629 [0,1,0,0,0,0|2,0,1]=4 746 B15R1.28954 C=C(C)CC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000748629 [0,1,0,0,0,0|1,0,1]=3 747 B15R1.28954 C=C(F)CC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100009893438 [0,1,0,0,0,0|1,0,2]=4 748 B15R1.28954 CC(C)CC(=O)c1cc(c(c(c1)Br)O)Br 1458a_100000692688_100000210624 [0,1,0,0,0,0|3,0,0]=4 749 B15R1.28954 CC(C)CC(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100000210624 [0,1,0,0,0,0|2,0,0]=3 750 B15R1.28954 CC(C)CC(=O)c1cc(c(c(c1)Cl)O)Cl 1458a_100000184433_100000210624 [0,1,0,0,0,0|3,0,0]=4 751 B15R1.28954 CC(C)CC(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100000210624 [0,1,0,0,0,0|2,0,0]=3 752 B15R1.28954 CC(C)CC(=O)c1cc(c(c(c1)F)F)O 1458a_200000081825_100000210624 [0,1,0,0,0,0|3,0,0]=4 753 B15R1.28954 CC(C)CC(=O)c1cc(c(c(c1)F)O)F 1458a_100000766045_100000210624 [0,1,0,0,0,0|3,0,0]=4 754 B15R1.28954 CC(C)CC(=O)c1cc(c(c(c1)I)O)I 1458a_100000034356_100000210624 [0,1,0,0,0,0|3,0,0]=4 755 B15R1.28954 CC(C)CC(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_100000210624 [0,1,0,0,0,0|2,0,0]=3 756 B15R1.28954 CC(C)CC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000210624 [0,1,0,0,0,0|1,0,0]=2 757 B15R1.28954 CC(C)NC(=O)c1cc(c(c(c1)Br)O)Br 240690a_100138425928_100000692688 [0,1,0,0,0,0|3,0,0]=4 758 B15R1.28954 CC(C)NC(=O)c1cc(c(c(c1)Br)O)Br 527a_100138425928_100000692688 [0,1,0,0,0,0|3,0,0]=4 759 B15R1.28954 CC(C)NC(=O)c1cc(c(c(c1)Br)O)O 240690a_100138425928_200009992764 [0,1,0,0,0,0|2,0,0]=3 760 B15R1.28954 CC(C)NC(=O)c1cc(c(c(c1)Cl)O)Cl 240690a_100138425928_100000184433 [0,1,0,0,0,0|3,0,0]=4 761 B15R1.28954 CC(C)NC(=O)c1cc(c(c(c1)Cl)O)Cl 527a_100138425928_100000184433 [0,1,0,0,0,0|3,0,0]=4 762 B15R1.28954 CC(C)NC(=O)c1cc(c(c(c1)Cl)O)O 240690a_100138425928_200000078382 [0,1,0,0,0,0|2,0,0]=3 763 B15R1.28954 CC(C)NC(=O)c1cc(c(c(c1)F)F)O 240690a_100138425928_200000081825 [0,1,0,0,0,0|3,0,0]=4 764 B15R1.28954 CC(C)NC(=O)c1cc(c(c(c1)F)O)F 240690a_100138425928_100000766045 [0,1,0,0,0,0|3,0,0]=4 765 B15R1.28954 CC(C)NC(=O)c1cc(c(c(c1)F)O)F 527a_100138425928_100000766045 [0,1,0,0,0,0|3,0,0]=4 766 B15R1.28954 CC(C)NC(=O)c1cc(c(c(c1)I)O)I 1626a_100138425928_100000034356 [0,1,0,0,0,0|3,0,0]=4 767 B15R1.28954 CC(C)NC(=O)c1cc(c(c(c1)I)O)I 240690a_100138425928_100000034356 [0,1,0,0,0,0|3,0,0]=4 768 B15R1.28954 CC(C)NC(=O)c1cc(c(c(c1)I)O)I 527a_100138425928_100000034356 [0,1,0,0,0,0|3,0,0]=4 769 B15R1.28954 CC(C)NC(=O)c1cc(c(c(c1)O)Br)O 240690a_100138425928_100009812877 [0,1,0,0,0,0|2,0,0]=3 770 B15R1.28954 CC(C)NC(=O)c1cc(c(c(c1)O)Cl)O 240690a_100138425928_100000074654 [0,1,0,0,0,0|2,0,0]=3 771 B15R1.28954 CC(O)CC(=O)c1cc(c(c(c1)Br)O)Br 1458a_100000692688_100011218427 [0,1,0,0,0,0|3,0,0]=4 772 B15R1.28954 CC(O)CC(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100011218427 [0,1,0,0,0,0|2,0,0]=3 773 B15R1.28954 CC(O)CC(=O)c1cc(c(c(c1)Cl)O)Cl 1458a_100000184433_100011218427 [0,1,0,0,0,0|3,0,0]=4 774 B15R1.28954 CC(O)CC(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100011218427 [0,1,0,0,0,0|2,0,0]=3 775 B15R1.28954 CC(O)CC(=O)c1cc(c(c(c1)F)F)O 1458a_200000081825_100011218427 [0,1,0,0,0,0|3,0,0]=4 776 B15R1.28954 CC(O)CC(=O)c1cc(c(c(c1)F)O)F 1458a_100000766045_100011218427 [0,1,0,0,0,0|3,0,0]=4 777 B15R1.28954 CC(O)CC(=O)c1cc(c(c(c1)I)O)I 1458a_100000034356_100011218427 [0,1,0,0,0,0|3,0,0]=4 778 B15R1.28954 CC(O)CC(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_100011218427 [0,1,0,0,0,0|2,0,0]=3 779 B15R1.28954 CC(O)CC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100011218427 [0,1,0,0,0,0|1,0,0]=2 780 B15R1.28954 Cc1c(cc(cc1O)C(=O)CC(C)C)O 1458a_100000031928_100000210624 [0,1,0,0,0,0|2,0,0]=3 781 B15R1.28954 Cc1c(cc(cc1O)C(=O)CC(C)O)O 1458a_100000031928_100011218427 [0,1,0,0,0,0|2,0,0]=3 782 B15R1.28954 Cc1c(cc(cc1O)C(=O)CC(F)F)O 1458a_100000031928_100011934356 [0,1,0,0,0,0|3,0,0]=4 783 B15R1.28954 Cc1c(cc(cc1O)C(=O)NC(C)C)O 240690a_100138425928_100000031928 [0,1,0,0,0,0|2,0,0]=3 784 B15R1.28954 Cc1c(cc(cc1O)C(=O)NC(C)C)O 527a_100138425928_100000031928 [0,1,0,0,0,0|2,0,0]=3 785 B15R1.28954 Cc1cc(cc(c1O)C)C(=O)CC(C)C 1458a_100011219978_100000210624 [0,1,0,0,0,0|3,0,0]=4 786 B15R1.28954 Cc1cc(cc(c1O)C)C(=O)CC(C)O 1458a_100011219978_100011218427 [0,1,0,0,0,0|3,0,0]=4 787 B15R1.28954 Cc1cc(cc(c1O)C)C(=O)NC(C)C 240690a_100138425928_100011219978 [0,1,0,0,0,0|3,0,0]=4 788 B15R1.28954 Cc1cc(cc(c1O)C)C(=O)NC(C)C 527a_100138425928_100011219978 [0,1,0,0,0,0|3,0,0]=4 789 B15R1.28954 NC(=O)CC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000187820 [0,1,0,0,0,0|2,0,1]=4 790 B15R1.28954 O=C(CC(F)F)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100011934356 [0,1,0,0,0,0|3,0,0]=4 791 B15R1.28954 O=C(CC(F)F)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100011934356 [0,1,0,0,0,0|3,0,0]=4 792 B15R1.28954 O=C(CC(F)F)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_100011934356 [0,1,0,0,0,0|3,0,0]=4 793 B15R1.28954 O=C(CC(F)F)c1cc(c(c(c1)O)O)O 1458a_100000212154_100011934356 [0,1,0,0,0,0|2,0,0]=3 794 B15R1.28954 O=C(C[N+](=O)[O-])c1cc(c(c(c1)O)O)O 1458a_100000212154_100000761209 [0,1,0,0,0,0|3,0,0]=4 795 B15R1.28954 O=C([O-])CC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100020667443 [0,1,0,0,0,0|2,0,1]=4 796 B15R1.36497 C#CCC(=O)c1cc(c(c(c1)OC)O)O 1458a_100000061230_100000184674 [0,1,0,0,0,0|1,0,2]=4 797 B15R1.36497 C=CCC(=O)c1cc(c(c(c1)OC)O)O 1458a_100000061230_100000210623 [0,1,0,0,0,0|1,0,2]=4 798 B15R1.36497 C=Cc1cc(cc(c1N)Br)C(=O)OCC 271570a_100011290941_100009816177 [0,1,0,0,0,0|3,0,0]=4 799 B15R1.36497 C=Cc1cc(cc(c1N)C)C(=O)OCC 271570a_100011290941_100010073787 [0,1,0,0,0,0|3,0,0]=4 800 B15R1.36497 CCCC(=O)c1cc(c(c(c1)OC)Cl)Br 1458a_100020639751_100000210303 [0,1,0,0,0,0|3,0,0]=4 801 B15R1.36497 CCCC(=O)c1cc(c(c(c1)OC)F)F 1458a_100000081826_100000210303 [0,1,0,0,0,0|3,0,0]=4 802 B15R1.36497 CCCC(=O)c1cc(c(c(c1)OC)O)Cl 1458a_100000209947_100000210303 [0,1,0,0,0,0|2,0,0]=3 803 B15R1.36497 CCCC(=O)c1cc(c(c(c1)OC)O)O 1458a_100000061230_100000210303 [0,1,0,0,0,0|1,0,0]=2 804 B15R1.36497 CCNC(=O)c1cc(c(c(c1)OC)Cl)Br 11a_100015525214_100020639751 [0,1,0,0,0,0|3,0,0]=4 805 B15R1.36497 CCNC(=O)c1cc(c(c(c1)OC)Cl)Br 240690a_100015525214_100020639751 [0,1,0,0,0,0|3,0,0]=4 806 B15R1.36497 CCNC(=O)c1cc(c(c(c1)OC)Cl)Br 527a_100015525214_100020639751 [0,1,0,0,0,0|3,0,0]=4 807 B15R1.36497 CCNC(=O)c1cc(c(c(c1)OC)F)F 11a_100015525214_100000081826 [0,1,0,0,0,0|3,0,0]=4 808 B15R1.36497 CCNC(=O)c1cc(c(c(c1)OC)F)F 240690a_100015525214_100000081826 [0,1,0,0,0,0|3,0,0]=4 809 B15R1.36497 CCNC(=O)c1cc(c(c(c1)OC)F)F 527a_100015525214_100000081826 [0,1,0,0,0,0|3,0,0]=4 810 B15R1.36497 CCNC(=O)c1cc(c(c(c1)OC)O)Cl 240690a_100015525214_100000209947 [0,1,0,0,0,0|2,0,0]=3 811 B15R1.36497 CCOC(=O)c1cc(c(c(c1)SC)N)Br 62a_100009816177_200000210301 [0,1,0,0,0,0|2,1,0]=4 812 B15R1.36497 CCOC(=O)c1cc(c(c(c1)SC)N)Br 62a_200000210301_100009816177 [0,1,0,0,0,0|2,1,0]=4 813 B15R1.36497 CCOC(=O)c1cc(c(c(c1)SC)N)C 62a_100010073787_200000210301 [0,1,0,0,0,0|2,1,0]=4 814 B15R1.36497 CCOC(=O)c1cc(c(c(c1)SC)N)C 62a_200000210301_100010073787 [0,1,0,0,0,0|2,1,0]=4 815 B15R1.36497 CCOC(=O)c1cc(c(c(c1)S[13CH3])N)Br 62a_100009816177_200025704644 [0,1,0,0,0,0|2,1,0]=4 816 B15R1.36497 CCOC(=O)c1cc(c(c(c1)S[13CH3])N)Br 62a_200025704644_100009816177 [0,1,0,0,0,0|2,1,0]=4 817 B15R1.36497 CCOC(=O)c1cc(c(c(c1)S[13CH3])N)C 62a_100010073787_200025704644 [0,1,0,0,0,0|2,1,0]=4 818 B15R1.36497 CCOC(=O)c1cc(c(c(c1)S[13CH3])N)C 62a_200025704644_100010073787 [0,1,0,0,0,0|2,1,0]=4 819 B15R1.36497 CNNC(=O)c1cc(c(c(c1)OC)O)Cl 22a_100016993582_100000209947 [0,1,0,0,0,0|3,0,0]=4 820 B15R1.36497 CNNC(=O)c1cc(c(c(c1)OC)O)O 22a_100016993582_100000061230 [0,1,0,0,0,0|2,0,0]=3 821 B15R1.36497 COc1cc(cc(c1O)Cl)C(=O)CCF 1458a_100000209947_100011217306 [0,1,0,0,0,0|3,0,0]=4 822 B15R1.36497 COc1cc(cc(c1O)Cl)C(=O)CCO 1458a_100000209947_100000211926 [0,1,0,0,0,0|3,0,0]=4 823 B15R1.36497 COc1cc(cc(c1O)O)C(=O)CC#N 1458a_100000061230_100011214920 [0,1,0,0,0,0|2,0,1]=4 824 B15R1.36497 COc1cc(cc(c1O)O)C(=O)CCF 1458a_100000061230_100011217306 [0,1,0,0,0,0|2,0,0]=3 825 B15R1.36497 COc1cc(cc(c1O)O)C(=O)CCO 1458a_100000061230_100000211926 [0,1,0,0,0,0|2,0,0]=3 826 B15R1.36498 C#CCC(=O)c1cc(c(c(c1)O)OC)O 1458a_100000073573_100000184674 [0,1,0,0,0,0|1,0,2]=4 827 B15R1.36498 C=CCC(=O)c1cc(c(c(c1)O)OC)O 1458a_100000073573_100000210623 [0,1,0,0,0,0|1,0,2]=4 828 B15R1.36498 C=Cc1c(cc(cc1F)C(=O)OCC)F 271570a_100011290941_200015718343 [0,1,0,0,0,0|3,0,0]=4 829 B15R1.36498 CCCC(=O)c1cc(c(c(c1)Br)OC)Br 1458a_100012337705_100000210303 [0,1,0,0,0,0|3,0,0]=4 830 B15R1.36498 CCCC(=O)c1cc(c(c(c1)Br)OC)O 1458a_100010760816_100000210303 [0,1,0,0,0,0|2,0,0]=3 831 B15R1.36498 CCCC(=O)c1cc(c(c(c1)C)OC)C 1458a_100000696790_100000210303 [0,1,0,0,0,0|3,0,0]=4 832 B15R1.36498 CCCC(=O)c1cc(c(c(c1)Cl)OC)Cl 1458a_100000013545_100000210303 [0,1,0,0,0,0|3,0,0]=4 833 B15R1.36498 CCCC(=O)c1cc(c(c(c1)Cl)OC)F 1458a_100011356498_100000210303 [0,1,0,0,0,0|3,0,0]=4 834 B15R1.36498 CCCC(=O)c1cc(c(c(c1)F)CO)F 1458a_200009844098_100000210303 [0,1,0,0,0,0|3,0,0]=4 835 B15R1.36498 CCCC(=O)c1cc(c(c(c1)F)OC)F 1458a_100011216840_100000210303 [0,1,0,0,0,0|3,0,0]=4 836 B15R1.36498 CCCC(=O)c1cc(c(c(c1)I)OC)F 1458a_100012920440_100000210303 [0,1,0,0,0,0|3,0,0]=4 837 B15R1.36498 CCCC(=O)c1cc(c(c(c1)O)OC)O 1458a_100000073573_100000210303 [0,1,0,0,0,0|1,0,0]=2 838 B15R1.36498 CCNC(=O)c1cc(c(c(c1)Br)OC)Br 11a_100015525214_100012337705 [0,1,0,0,0,0|3,0,0]=4 839 B15R1.36498 CCNC(=O)c1cc(c(c(c1)Br)OC)Br 240690a_100015525214_100012337705 [0,1,0,0,0,0|3,0,0]=4 840 B15R1.36498 CCNC(=O)c1cc(c(c(c1)Br)OC)Br 527a_100015525214_100012337705 [0,1,0,0,0,0|3,0,0]=4 841 B15R1.36498 CCNC(=O)c1cc(c(c(c1)Br)OC)O 240690a_100015525214_100010760816 [0,1,0,0,0,0|2,0,0]=3 842 B15R1.36498 CCNC(=O)c1cc(c(c(c1)Br)OC)O 527a_100015525214_100010760816 [0,1,0,0,0,0|2,0,0]=3 843 B15R1.36498 CCNC(=O)c1cc(c(c(c1)C)OC)C 11a_100015525214_100000696790 [0,1,0,0,0,0|3,0,0]=4 844 B15R1.36498 CCNC(=O)c1cc(c(c(c1)C)OC)C 240690a_100015525214_100000696790 [0,1,0,0,0,0|3,0,0]=4 845 B15R1.36498 CCNC(=O)c1cc(c(c(c1)C)OC)C 527a_100015525214_100000696790 [0,1,0,0,0,0|3,0,0]=4 846 B15R1.36498 CCNC(=O)c1cc(c(c(c1)Cl)OC)Cl 11a_100015525214_100000013545 [0,1,0,0,0,0|3,0,0]=4 847 B15R1.36498 CCNC(=O)c1cc(c(c(c1)Cl)OC)Cl 240690a_100015525214_100000013545 [0,1,0,0,0,0|3,0,0]=4 848 B15R1.36498 CCNC(=O)c1cc(c(c(c1)Cl)OC)Cl 527a_100015525214_100000013545 [0,1,0,0,0,0|3,0,0]=4 849 B15R1.36498 CCNC(=O)c1cc(c(c(c1)Cl)OC)F 11a_100015525214_100011356498 [0,1,0,0,0,0|3,0,0]=4 850 B15R1.36498 CCNC(=O)c1cc(c(c(c1)Cl)OC)F 240690a_100015525214_100011356498 [0,1,0,0,0,0|3,0,0]=4 851 B15R1.36498 CCNC(=O)c1cc(c(c(c1)Cl)OC)F 527a_100015525214_100011356498 [0,1,0,0,0,0|3,0,0]=4 852 B15R1.36498 CCNC(=O)c1cc(c(c(c1)F)CO)F 11a_100015525214_200009844098 [0,1,0,0,0,0|3,0,0]=4 853 B15R1.36498 CCNC(=O)c1cc(c(c(c1)F)CO)F 240690a_100015525214_200009844098 [0,1,0,0,0,0|3,0,0]=4 854 B15R1.36498 CCNC(=O)c1cc(c(c(c1)F)CO)F 527a_100015525214_200009844098 [0,1,0,0,0,0|3,0,0]=4 855 B15R1.36498 CCNC(=O)c1cc(c(c(c1)F)OC)F 11a_100015525214_100011216840 [0,1,0,0,0,0|3,0,0]=4 856 B15R1.36498 CCNC(=O)c1cc(c(c(c1)F)OC)F 240690a_100015525214_100011216840 [0,1,0,0,0,0|3,0,0]=4 857 B15R1.36498 CCNC(=O)c1cc(c(c(c1)F)OC)F 527a_100015525214_100011216840 [0,1,0,0,0,0|3,0,0]=4 858 B15R1.36498 CCNC(=O)c1cc(c(c(c1)I)OC)F 11a_100015525214_100012920440 [0,1,0,0,0,0|3,0,0]=4 859 B15R1.36498 CCNC(=O)c1cc(c(c(c1)I)OC)F 240690a_100015525214_100012920440 [0,1,0,0,0,0|3,0,0]=4 860 B15R1.36498 CCNC(=O)c1cc(c(c(c1)I)OC)F 527a_100015525214_100012920440 [0,1,0,0,0,0|3,0,0]=4 861 B15R1.36498 CCOC(=O)c1cc(c(c(c1)Br)OC)Br 7a_100010164392_200000210301 [0,1,0,0,0,0|2,0,0]=3 862 B15R1.36498 CCOC(=O)c1cc(c(c(c1)Br)O[13CH3])Br 7a_100010164392_200025704644 [0,1,0,0,0,0|2,0,0]=3 863 B15R1.36498 CCOC(=O)c1cc(c(c(c1)Cl)OC)Cl 7a_100000172512_200000210301 [0,1,0,0,0,0|2,0,0]=3 864 B15R1.36498 CCOC(=O)c1cc(c(c(c1)Cl)O[13CH3])Cl 7a_100000172512_200025704644 [0,1,0,0,0,0|2,0,0]=3 865 B15R1.36498 CCOC(=O)c1cc(c(c(c1)F)SC)F 62a_200000210301_200015718343 [0,1,0,0,0,0|2,1,0]=4 866 B15R1.36498 CCOC(=O)c1cc(c(c(c1)F)SC)F 62a_200015718343_200000210301 [0,1,0,0,0,0|2,1,0]=4 867 B15R1.36498 CCOC(=O)c1cc(c(c(c1)F)S[13CH3])F 62a_200015718343_200025704644 [0,1,0,0,0,0|2,1,0]=4 868 B15R1.36498 CCOC(=O)c1cc(c(c(c1)F)S[13CH3])F 62a_200025704644_200015718343 [0,1,0,0,0,0|2,1,0]=4 869 B15R1.36498 CCOC(=O)c1cc(c(c(c1)I)OC)I 7a_100009990389_200000210301 [0,1,0,0,0,0|2,0,0]=3 870 B15R1.36498 CCOC(=O)c1cc(c(c(c1)I)O[13CH3])I 7a_100009990389_200025704644 [0,1,0,0,0,0|2,0,0]=3 871 B15R1.36498 CNNC(=O)c1cc(c(c(c1)Br)OC)O 22a_100016993582_100010760816 [0,1,0,0,0,0|3,0,0]=4 872 B15R1.36498 CNNC(=O)c1cc(c(c(c1)O)OC)O 22a_100016993582_100000073573 [0,1,0,0,0,0|2,0,0]=3 873 B15R1.36498 COc1c(cc(cc1Br)C(=O)CCF)O 1458a_100010760816_100011217306 [0,1,0,0,0,0|3,0,0]=4 874 B15R1.36498 COc1c(cc(cc1Br)C(=O)CCO)O 1458a_100010760816_100000211926 [0,1,0,0,0,0|3,0,0]=4 875 B15R1.36498 COc1c(cc(cc1O)C(=O)CC#N)O 1458a_100000073573_100011214920 [0,1,0,0,0,0|2,0,1]=4 876 B15R1.36498 COc1c(cc(cc1O)C(=O)CCF)O 1458a_100000073573_100011217306 [0,1,0,0,0,0|2,0,0]=3 877 B15R1.36498 COc1c(cc(cc1O)C(=O)CCO)O 1458a_100000073573_100000211926 [0,1,0,0,0,0|2,0,0]=3 878 B15R1.766 CCCC(=O)Cc1cc(c(c(c1)Br)O)Br 1458a_100009996861_100000210303 [0,0,0,0,0,1|3,0,0]=4 879 B15R1.766 CCCC(=O)Cc1cc(c(c(c1)C)O)C 1458a_200000099080_100000210303 [0,0,0,0,0,1|3,0,0]=4 880 B15R1.766 CCCC(=O)Nc1cc(c(c(c1)Br)O)Br 22a_200000186426_100000211992 [0,0,0,0,0,1|3,0,0]=4 881 B15R1.766 CCCC(=O)Nc1cc(c(c(c1)Br)O)Br 527a_200000186426_100000211992 [0,0,0,0,0,1|3,0,0]=4 882 B15R1.766 CCCC(=O)Nc1cc(c(c(c1)Br)O)C 11a_100010064301_100000211992 [0,0,0,0,0,1|3,0,0]=4 883 B15R1.766 CCCC(=O)Nc1cc(c(c(c1)Br)O)C 22a_100010064301_100000211992 [0,0,0,0,0,1|3,0,0]=4 884 B15R1.766 CCCC(=O)Nc1cc(c(c(c1)Br)O)C 527a_100010064301_100000211992 [0,0,0,0,0,1|3,0,0]=4 885 B15R1.766 CCCC(=O)Nc1cc(c(c(c1)C)O)C 11a_100000703291_100000211992 [0,0,0,0,0,1|3,0,0]=4 886 B15R1.766 CCCC(=O)Nc1cc(c(c(c1)C)O)C 1626a_100000703291_100000211992 [0,0,0,0,0,1|3,0,0]=4 887 B15R1.766 CCCC(=O)Nc1cc(c(c(c1)C)O)C 22a_100000703291_100000211992 [0,0,0,0,0,1|3,0,0]=4 888 B15R1.766 CCCC(=O)Nc1cc(c(c(c1)C)O)C 527a_100000703291_100000211992 [0,0,0,0,0,1|3,0,0]=4 889 B15R1.766 CCCC(=O)Nc1cc(c(c(c1)Cl)Cl)O 22a_100015839415_100000211992 [0,0,0,0,0,1|3,0,0]=4 890 B15R1.766 CCCC(=O)Nc1cc(c(c(c1)Cl)O)Cl 22a_100000695418_100000211992 [0,0,0,0,0,1|3,0,0]=4 891 B15R1.766 CCCC(=O)Nc1cc(c(c(c1)Cl)O)Cl 527a_100000695418_100000211992 [0,0,0,0,0,1|3,0,0]=4 892 B15R1.766 CCCC(=O)Nc1cc(c(c(c1)F)O)F 1626a_100016987357_100000211992 [0,0,0,0,0,1|3,0,0]=4 893 B15R1.766 CCCC(=O)Nc1cc(c(c(c1)F)O)F 22a_100016987357_100000211992 [0,0,0,0,0,1|3,0,0]=4 894 B15R1.766 CCCC(=O)Nc1cc(c(c(c1)F)O)F 527a_100016987357_100000211992 [0,0,0,0,0,1|3,0,0]=4 895 B15R1.766 CCCC(C)Sc1cc(c(c(c1)O)O)O 62a_100000766640_100010658518 [0,0,0,0,0,1|2,0,1]=4 896 B15R1.766 CCNC(=O)Cc1cc(c(c(c1)Br)O)Br 240690a_100015525214_100009996861 [0,0,0,0,0,1|3,0,0]=4 897 B15R1.766 CCNC(=O)Cc1cc(c(c(c1)Br)O)Br 527a_100015525214_100009996861 [0,0,0,0,0,1|3,0,0]=4 898 B15R1.766 CCNC(=O)Cc1cc(c(c(c1)C)O)C 240690a_100015525214_200000099080 [0,0,0,0,0,1|3,0,0]=4 899 B15R1.766 CCNC(=O)Cc1cc(c(c(c1)C)O)C 527a_100015525214_200000099080 [0,0,0,0,0,1|3,0,0]=4 900 B15R1.766 CCNC(=O)Nc1cc(c(c(c1)Br)O)Br 2430a_200000186426_100015525214 [0,0,0,0,0,1|3,0,0]=4 901 B15R1.766 CCNC(=O)Nc1cc(c(c(c1)Br)O)C 2430a_100010064301_100015525214 [0,0,0,0,0,1|3,0,0]=4 902 B15R1.766 CCNC(=O)Nc1cc(c(c(c1)C)O)C 2430a_100000703291_100015525214 [0,0,0,0,0,1|3,0,0]=4 903 B15R1.766 CCNC(=O)Nc1cc(c(c(c1)Cl)Cl)O 2430a_100015839415_100015525214 [0,0,0,0,0,1|3,0,0]=4 904 B15R1.766 CCNC(=O)Nc1cc(c(c(c1)Cl)O)Cl 2430a_100000695418_100015525214 [0,0,0,0,0,1|3,0,0]=4 905 B15R1.766 CCNC(=O)Nc1cc(c(c(c1)F)O)F 2430a_100016987357_100015525214 [0,0,0,0,0,1|3,0,0]=4 906 B12R1.44 CCSc1cc(c(c(c1)F)O)O 62a_100000210202_100010114375 [2,0,0,0,0,0|1,1,0]=4 907 B12R1.44 CCSc1cc(c(c(c1)O)O)O 62a_100000210202_100010658518 [2,0,0,0,0,0|0,1,0]=3 908 B12R1.44 Oc1cc(cc(c1O)O)SCF 62a_100015361967_100010658518 [2,0,0,0,0,0|1,1,0]=4 909 B12R1.100 CCCCc1cc(cc(c1)O)O 271570a_100020621405_100009868816 [2,0,0,0,0,0|1,0,1]=4 910 B12R1.100 CCCNc1cc(cc(c1)O)O 34a_100000043371_100000210303 [2,0,0,0,0,0|2,0,0]=4 911 B12R1.100 CCCSc1cc(cc(c1)O)O 62a_100000210303_100009868816 [2,0,0,0,0,0|2,0,0]=4 912 B12R1.100 CCNCc1cc(cc(c1)O)O 207a_100015525214_100000043415 [2,0,0,0,0,0|1,0,1]=4 913 B12R1.100 CCNCc1cc(cc(c1)O)O 2230a_100159270720_100000210202 [2,0,0,0,0,0|1,0,1]=4 914 B12R1.100 CCNCc1cc(cc(c1)O)O 34a_100159270720_100000210202 [2,0,0,0,0,0|1,0,1]=4 915 B12R1.385 CCCCc1ccc(c(c1)O)O 271570a_100020621405_100009813601 [2,0,0,0,0,0|1,0,1]=4 916 B12R1.385 CCCNc1ccc(c(c1)O)O 34a_100102946323_100000210303 [2,0,0,0,0,0|2,0,0]=4 917 B12R1.385 CCCSc1ccc(c(c1)O)O 62a_100000210303_100009813601 [2,0,0,0,0,0|2,0,0]=4 918 B12R1.385 CCNCc1ccc(c(c1)O)O 34a_100000010075_100000210202 [2,0,0,0,0,0|1,0,1]=4 919 B12R1.17 CCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210303 [2,0,0,0,0,0|2,0,0]=4 920 B12R1.17 CCCC(=O)c1cccc(c1)C 1458a_100000189346_100000210303 [2,0,0,0,0,0|2,0,0]=4 921 B12R1.17 CCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210303 [2,0,0,0,0,0|2,0,0]=4 922 B12R1.17 CCCC(=O)c1cccc(c1)F 1458a_100000210950_100000210303 [2,0,0,0,0,0|2,0,0]=4 923 B12R1.17 CCCC(=O)c1cccc(c1)I 1458a_100000184098_100000210303 [2,0,0,0,0,0|2,0,0]=4 924 B12R1.17 CCCC(=O)c1cccc(c1)O 1458a_100000183914_100000210303 [2,0,0,0,0,0|1,0,0]=3 925 B12R1.17 CCNC(=O)c1cc(ccn1)O 271570a_203496583355_100000194128 [2,0,0,0,0,0|2,0,0]=4 926 B12R1.17 CCNC(=O)c1cccc(c1)Br 11a_100015525214_100000210664 [2,0,0,0,0,0|2,0,0]=4 927 B12R1.17 CCNC(=O)c1cccc(c1)Br 240690a_100015525214_100000210664 [2,0,0,0,0,0|2,0,0]=4 928 B12R1.17 CCNC(=O)c1cccc(c1)Br 527a_100015525214_100000210664 [2,0,0,0,0,0|2,0,0]=4 929 B12R1.17 CCNC(=O)c1cccc(c1)C 11a_100015525214_100000189346 [2,0,0,0,0,0|2,0,0]=4 930 B12R1.17 CCNC(=O)c1cccc(c1)C 240690a_100015525214_100000189346 [2,0,0,0,0,0|2,0,0]=4 931 B12R1.17 CCNC(=O)c1cccc(c1)C 527a_100015525214_100000189346 [2,0,0,0,0,0|2,0,0]=4 932 B12R1.17 CCNC(=O)c1cccc(c1)Cl 11a_100015525214_100000210390 [2,0,0,0,0,0|2,0,0]=4 933 B12R1.17 CCNC(=O)c1cccc(c1)Cl 240690a_100015525214_100000210390 [2,0,0,0,0,0|2,0,0]=4 934 B12R1.17 CCNC(=O)c1cccc(c1)Cl 527a_100015525214_100000210390 [2,0,0,0,0,0|2,0,0]=4 935 B12R1.17 CCNC(=O)c1cccc(c1)F 11a_100015525214_100000210950 [2,0,0,0,0,0|2,0,0]=4 936 B12R1.17 CCNC(=O)c1cccc(c1)F 240690a_100015525214_100000210950 [2,0,0,0,0,0|2,0,0]=4 937 B12R1.17 CCNC(=O)c1cccc(c1)F 527a_100015525214_100000210950 [2,0,0,0,0,0|2,0,0]=4 938 B12R1.17 CCNC(=O)c1cccc(c1)I 11a_100015525214_100000184098 [2,0,0,0,0,0|2,0,0]=4 939 B12R1.17 CCNC(=O)c1cccc(c1)I 240690a_100015525214_100000184098 [2,0,0,0,0,0|2,0,0]=4 940 B12R1.17 CCNC(=O)c1cccc(c1)I 527a_100015525214_100000184098 [2,0,0,0,0,0|2,0,0]=4 941 B12R1.17 CCNC(=O)c1cccc(c1)O 240690a_100015525214_100000183914 [2,0,0,0,0,0|1,0,0]=3 942 B12R1.17 CCNC(=O)c1cccc(c1)O 271570a_203496583355_100000155180 [2,0,0,0,0,0|1,0,0]=3 943 B12R1.17 CCNC(=O)c1cccc(c1)O 527a_100015525214_100000183914 [2,0,0,0,0,0|1,0,0]=3 944 B12R1.17 CCNC(=O)c1ccnc(c1)O 271570a_203496583355_100000229823 [2,0,0,0,0,0|2,0,0]=4 945 B12R1.17 CCNC(=O)c1cncc(c1)O 271570a_203496583355_200000155184 [2,0,0,0,0,0|2,0,0]=4 946 B12R1.17 CCOC(=O)c1cc(ccn1)O 271570a_203496583355_100010210110 [2,0,0,0,0,0|1,0,0]=3 947 B12R1.17 CCOC(=O)c1cc(ncn1)O 271570a_203496583355_100009878719 [2,0,0,0,0,0|2,0,0]=4 948 B12R1.17 CCOC(=O)c1cccc(c1)O 271570a_203496583355_100000170211 [2,0,0,0,0,0|0,0,0]=2 949 B12R1.17 CCOC(=O)c1cccc(n1)O 271570a_203496583355_100000695914 [2,0,0,0,0,0|1,0,0]=3 950 B12R1.17 CCOC(=O)c1ccnc(c1)O 271570a_203496583355_100011213083 [2,0,0,0,0,0|1,0,0]=3 951 B12R1.17 CCOC(=O)c1ccnc(n1)O 271570a_203496583355_100000087789 [2,0,0,0,0,0|2,0,0]=4 952 B12R1.17 CCOC(=O)c1cncc(c1)O 271570a_203496583355_100000170250 [2,0,0,0,0,0|1,0,0]=3 953 B12R1.17 CCOC(=O)c1cncc(n1)O 271570a_203496583355_100012185986 [2,0,0,0,0,0|2,0,0]=4 954 B12R1.17 CCOC(=O)c1cnnc(c1)O 271570a_203496583355_100009853686 [2,0,0,0,0,0|2,0,0]=4 955 B12R1.17 CNCC(=O)c1cccc(c1)O 34a_100102657272_100009813753 [2,0,0,0,0,0|2,0,0]=4 956 B12R1.17 CNCC(=O)c1cccc(c1)O 7a_106832991635_100009813753 [2,0,0,0,0,0|2,0,0]=4 957 B12R1.17 CNNC(=O)c1cccc(c1)O 22a_100016993582_100000183914 [2,0,0,0,0,0|2,0,0]=4 958 B12R1.17 COCC(=O)c1cccc(c1)O 34a_100138415774_100009813753 [2,0,0,0,0,0|2,0,0]=4 959 B12R1.17 CSCC(=O)c1cccc(c1)O 62a_100009813753_200000210301 [2,0,0,0,0,0|2,0,0]=4 960 B12R1.17 CSCC(=O)c1cccc(c1)O 62a_200000210301_100009813753 [2,0,0,0,0,0|2,0,0]=4 961 B12R1.17 O=C(CCF)c1cccc(c1)O 1458a_100000183914_100011217306 [2,0,0,0,0,0|2,0,0]=4 962 B12R1.17 O=C(CCO)c1cccc(c1)O 1458a_100000183914_100000211926 [2,0,0,0,0,0|2,0,0]=4 963 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)O 62a_100009813753_200025704644 [2,0,0,0,0,0|2,0,0]=4 964 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)O 62a_200025704644_100009813753 [2,0,0,0,0,0|2,0,0]=4 965 B12R1.358 CCC(=O)c1cc(cc(c1)Br)Br 1458a_100000687083_100000210202 [2,0,0,0,0,0|2,0,0]=4 966 B12R1.358 CCC(=O)c1cc(cc(c1)Br)C 1458a_100000760426_100000210202 [2,0,0,0,0,0|2,0,0]=4 967 B12R1.358 CCC(=O)c1cc(cc(c1)Br)Cl 1458a_100000687899_100000210202 [2,0,0,0,0,0|2,0,0]=4 968 B12R1.358 CCC(=O)c1cc(cc(c1)Br)F 1458a_100000739618_100000210202 [2,0,0,0,0,0|2,0,0]=4 969 B12R1.358 CCC(=O)c1cc(cc(c1)Br)O 1458a_100011934545_100000210202 [2,0,0,0,0,0|1,0,0]=3 970 B12R1.358 CCC(=O)c1cc(cc(c1)C)C 1458a_100000210874_100000210202 [2,0,0,0,0,0|2,0,0]=4 971 B12R1.358 CCC(=O)c1cc(cc(c1)Cl)C 1458a_100000684526_100000210202 [2,0,0,0,0,0|2,0,0]=4 972 B12R1.358 CCC(=O)c1cc(cc(c1)Cl)Cl 1458a_100000210701_100000210202 [2,0,0,0,0,0|2,0,0]=4 973 B12R1.358 CCC(=O)c1cc(cc(c1)Cl)F 1458a_100000685768_100000210202 [2,0,0,0,0,0|2,0,0]=4 974 B12R1.358 CCC(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_100000210202 [2,0,0,0,0,0|1,0,0]=3 975 B12R1.358 CCC(=O)c1cc(cc(c1)F)C 1458a_100000763163_100000210202 [2,0,0,0,0,0|2,0,0]=4 976 B12R1.358 CCC(=O)c1cc(cc(c1)F)F 1458a_100000211655_100000210202 [2,0,0,0,0,0|2,0,0]=4 977 B12R1.358 CCC(=O)c1cc(cc(c1)F)O 1458a_100012017291_100000210202 [2,0,0,0,0,0|1,0,0]=3 978 B12R1.358 CCC(=O)c1cc(cc(c1)I)Br 1458a_100000689235_100000210202 [2,0,0,0,0,0|2,0,0]=4 979 B12R1.358 CCC(=O)c1cc(cc(c1)I)C 1458a_100000729426_100000210202 [2,0,0,0,0,0|2,0,0]=4 980 B12R1.358 CCC(=O)c1cc(cc(c1)I)Cl 1458a_100012047205_100000210202 [2,0,0,0,0,0|2,0,0]=4 981 B12R1.358 CCC(=O)c1cc(cc(c1)I)F 1458a_100012047268_100000210202 [2,0,0,0,0,0|2,0,0]=4 982 B12R1.358 CCC(=O)c1cc(cc(c1)I)I 1458a_100011204819_100000210202 [2,0,0,0,0,0|2,0,0]=4 983 B12R1.358 CCC(=O)c1cc(cc(c1)O)C 1458a_100000094094_100000210202 [2,0,0,0,0,0|1,0,0]=3 984 B12R1.358 CNC(=O)c1cc(cc(c1)Br)O 240690a_100102657272_100011934545 [2,0,0,0,0,0|2,0,0]=4 985 B12R1.358 CNC(=O)c1cc(cc(c1)Br)O 527a_100102657272_100011934545 [2,0,0,0,0,0|2,0,0]=4 986 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)O 240690a_100102657272_100011997059 [2,0,0,0,0,0|2,0,0]=4 987 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)O 527a_100102657272_100011997059 [2,0,0,0,0,0|2,0,0]=4 988 B12R1.358 CNC(=O)c1cc(cc(c1)F)O 11a_106832991635_100012017291 [2,0,0,0,0,0|2,0,0]=4 989 B12R1.358 CNC(=O)c1cc(cc(c1)F)O 240690a_100102657272_100012017291 [2,0,0,0,0,0|2,0,0]=4 990 B12R1.358 CNC(=O)c1cc(cc(c1)F)O 271570a_203496583355_200011295653 [2,0,0,0,0,0|2,0,0]=4 991 B12R1.358 CNC(=O)c1cc(cc(c1)F)O 527a_100102657272_100012017291 [2,0,0,0,0,0|2,0,0]=4 992 B12R1.358 CNC(=O)c1cc(cc(c1)O)C 240690a_100102657272_100000094094 [2,0,0,0,0,0|2,0,0]=4 993 B12R1.358 CNC(=O)c1cc(cc(c1)O)C 527a_100102657272_100000094094 [2,0,0,0,0,0|2,0,0]=4 994 B12R1.358 CNC(=O)c1cc(cc(c1)O)O 240690a_100102657272_100000690292 [2,0,0,0,0,0|1,0,0]=3 995 B12R1.358 CNC(=O)c1cc(cc(c1)O)O 527a_100102657272_100000690292 [2,0,0,0,0,0|1,0,0]=3 996 B12R1.358 COC(=O)c1cc(cc(c1)Br)O 271570a_203496583355_100012339729 [2,0,0,0,0,0|1,0,0]=3 997 B12R1.358 COC(=O)c1cc(cc(c1)Cl)O 271570a_203496583355_100000695173 [2,0,0,0,0,0|1,0,0]=3 998 B12R1.358 COC(=O)c1cc(cc(c1)F)O 271570a_203496583355_100000698578 [2,0,0,0,0,0|1,0,0]=3 999 B12R1.358 COC(=O)c1cc(cc(c1)O)C 271570a_203496583355_100012359405 [2,0,0,0,0,0|1,0,0]=3 1000 B12R1.358 COC(=O)c1cc(cc(c1)O)N 271570a_203496583355_100138415615 [2,0,0,0,0,0|1,0,0]=3 1001 B12R1.358 COC(=O)c1cc(cc(c1)O)O 271570a_203496583355_100000696291 [2,0,0,0,0,0|0,0,0]=2 1002 B12R1.358 COC(=O)c1cc(cc(n1)O)C 271570a_203496583355_100009865194 [2,0,0,0,0,0|2,0,0]=4 1003 B12R1.358 COC(=O)c1cc(nc(c1)O)C 271570a_203496583355_100000695393 [2,0,0,0,0,0|2,0,0]=4 1004 B12R1.358 COC(=O)c1cc(nc(c1)O)N 271570a_203496583355_100000062536 [2,0,0,0,0,0|2,0,0]=4 1005 B12R1.358 Cc1cc(cc(c1)C(=O)CF)O 1458a_100000094094_100015361967 [2,0,0,0,0,0|2,0,0]=4 1006 B12R1.358 O=C(CF)c1cc(cc(c1)Br)O 1458a_100011934545_100015361967 [2,0,0,0,0,0|2,0,0]=4 1007 B12R1.358 O=C(CF)c1cc(cc(c1)Cl)O 1458a_100011997059_100015361967 [2,0,0,0,0,0|2,0,0]=4 1008 B12R1.358 O=C(CF)c1cc(cc(c1)F)O 1458a_100012017291_100015361967 [2,0,0,0,0,0|2,0,0]=4 1009 B12R1.16 CC#CC(=O)c1ccc(cc1)O 271570a_203496583355_100153741113 [2,0,0,0,0,0|1,0,1]=4 1010 B12R1.16 CCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210303 [2,0,0,0,0,0|2,0,0]=4 1011 B12R1.16 CCCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210303 [2,0,0,0,0,0|2,0,0]=4 1012 B12R1.16 CCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210303 [2,0,0,0,0,0|2,0,0]=4 1013 B12R1.16 CCCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210303 [2,0,0,0,0,0|2,0,0]=4 1014 B12R1.16 CCCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210303 [2,0,0,0,0,0|2,0,0]=4 1015 B12R1.16 CCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210303 [2,0,0,0,0,0|1,0,0]=3 1016 B12R1.16 CCCC(=O)c1ccc(cc1)O 271570a_203496583355_100011267722 [2,0,0,0,0,0|1,0,0]=3 1017 B12R1.16 CCCC(=O)c1ccc(nc1)O 271570a_203496583355_200012185933 [2,0,0,0,0,0|2,0,0]=4 1018 B12R1.16 CCNC(=O)c1ccc(cc1)Br 11a_100015525214_100000185839 [2,0,0,0,0,0|2,0,0]=4 1019 B12R1.16 CCNC(=O)c1ccc(cc1)Br 240690a_100015525214_100000185839 [2,0,0,0,0,0|2,0,0]=4 1020 B12R1.16 CCNC(=O)c1ccc(cc1)Br 527a_100015525214_100000185839 [2,0,0,0,0,0|2,0,0]=4 1021 B12R1.16 CCNC(=O)c1ccc(cc1)C 11a_100015525214_100000188618 [2,0,0,0,0,0|2,0,0]=4 1022 B12R1.16 CCNC(=O)c1ccc(cc1)C 240690a_100015525214_100000188618 [2,0,0,0,0,0|2,0,0]=4 1023 B12R1.16 CCNC(=O)c1ccc(cc1)C 527a_100015525214_100000188618 [2,0,0,0,0,0|2,0,0]=4 1024 B12R1.16 CCNC(=O)c1ccc(cc1)Cl 11a_100015525214_100000210187 [2,0,0,0,0,0|2,0,0]=4 1025 B12R1.16 CCNC(=O)c1ccc(cc1)Cl 240690a_100015525214_100000210187 [2,0,0,0,0,0|2,0,0]=4 1026 B12R1.16 CCNC(=O)c1ccc(cc1)Cl 527a_100015525214_100000210187 [2,0,0,0,0,0|2,0,0]=4 1027 B12R1.16 CCNC(=O)c1ccc(cc1)F 11a_100015525214_100000187176 [2,0,0,0,0,0|2,0,0]=4 1028 B12R1.16 CCNC(=O)c1ccc(cc1)F 240690a_100015525214_100000187176 [2,0,0,0,0,0|2,0,0]=4 1029 B12R1.16 CCNC(=O)c1ccc(cc1)F 527a_100015525214_100000187176 [2,0,0,0,0,0|2,0,0]=4 1030 B12R1.16 CCNC(=O)c1ccc(cc1)I 11a_100015525214_100000187904 [2,0,0,0,0,0|2,0,0]=4 1031 B12R1.16 CCNC(=O)c1ccc(cc1)I 240690a_100015525214_100000187904 [2,0,0,0,0,0|2,0,0]=4 1032 B12R1.16 CCNC(=O)c1ccc(cc1)I 527a_100015525214_100000187904 [2,0,0,0,0,0|2,0,0]=4 1033 B12R1.16 CCNC(=O)c1ccc(cc1)O 240690a_100015525214_100000212099 [2,0,0,0,0,0|1,0,0]=3 1034 B12R1.16 CCNC(=O)c1ccc(cc1)O 271570a_203496583355_100000155177 [2,0,0,0,0,0|1,0,0]=3 1035 B12R1.16 CCNC(=O)c1ccc(cc1)O 527a_100015525214_100000212099 [2,0,0,0,0,0|1,0,0]=3 1036 B12R1.16 CCNC(=O)c1ccc(cn1)O 271570a_203496583355_200011781264 [2,0,0,0,0,0|2,0,0]=4 1037 B12R1.16 CCNC(=O)c1ccc(nc1)O 271570a_203496583355_100000160145 [2,0,0,0,0,0|2,0,0]=4 1038 B12R1.16 CCOC(=O)c1ccc(cc1)O 271570a_203496583355_100000170077 [2,0,0,0,0,0|0,0,0]=2 1039 B12R1.16 CCOC(=O)c1ccc(cn1)O 271570a_203496583355_100011781174 [2,0,0,0,0,0|1,0,0]=3 1040 B12R1.16 CCOC(=O)c1ccc(nc1)O 271570a_203496583355_100000170224 [2,0,0,0,0,0|1,0,0]=3 1041 B12R1.16 CCOC(=O)c1ccc(nn1)O 271570a_203496583355_100011933454 [2,0,0,0,0,0|2,0,0]=4 1042 B12R1.16 CCOC(=O)c1cnc(cn1)O 271570a_203496583355_100000707868 [2,0,0,0,0,0|2,0,0]=4 1043 B12R1.16 CCOC(=O)c1cnc(nc1)O 271570a_203496583355_100011935661 [2,0,0,0,0,0|2,0,0]=4 1044 B12R1.16 CCOC(=O)c1ncc(cn1)O 271570a_203496583355_100010168878 [2,0,0,0,0,0|2,0,0]=4 1045 B12R1.16 CNCC(=O)c1ccc(cc1)O 34a_100102657272_100009814261 [2,0,0,0,0,0|2,0,0]=4 1046 B12R1.16 CNCC(=O)c1ccc(cc1)O 7a_106832991635_100000018856 [2,0,0,0,0,0|2,0,0]=4 1047 B12R1.16 CNNC(=O)c1ccc(cc1)O 22a_100016993582_100000212099 [2,0,0,0,0,0|2,0,0]=4 1048 B12R1.16 COCC(=O)c1ccc(cc1)O 271570a_203496583355_200011343064 [2,0,0,0,0,0|2,0,0]=4 1049 B12R1.16 COCC(=O)c1ccc(cc1)O 34a_100138415774_100009814261 [2,0,0,0,0,0|2,0,0]=4 1050 B12R1.16 CSCC(=O)c1ccc(cc1)O 62a_100009814261_200000210301 [2,0,0,0,0,0|2,0,0]=4 1051 B12R1.16 CSCC(=O)c1ccc(cc1)O 62a_200000210301_100009814261 [2,0,0,0,0,0|2,0,0]=4 1052 B12R1.16 O=C(CCF)c1ccc(cc1)O 1458a_100000212099_100011217306 [2,0,0,0,0,0|2,0,0]=4 1053 B12R1.16 O=C(CCO)c1ccc(cc1)O 1458a_100000212099_100000211926 [2,0,0,0,0,0|2,0,0]=4 1054 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)O 62a_100009814261_200025704644 [2,0,0,0,0,0|2,0,0]=4 1055 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)O 62a_200025704644_100009814261 [2,0,0,0,0,0|2,0,0]=4 1056 B12R1.367 CCC(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_100000210202 [2,0,0,0,0,0|2,0,0]=4 1057 B12R1.367 CCC(=O)c1ccc(c(c1)Br)C 1458a_100000186397_100000210202 [2,0,0,0,0,0|2,0,0]=4 1058 B12R1.367 CCC(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_100000210202 [2,0,0,0,0,0|2,0,0]=4 1059 B12R1.367 CCC(=O)c1ccc(c(c1)Br)F 1458a_100000760357_100000210202 [2,0,0,0,0,0|2,0,0]=4 1060 B12R1.367 CCC(=O)c1ccc(c(c1)Br)I 1458a_100000739115_100000210202 [2,0,0,0,0,0|2,0,0]=4 1061 B12R1.367 CCC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100000210202 [2,0,0,0,0,0|1,0,0]=3 1062 B12R1.367 CCC(=O)c1ccc(c(c1)C)Br 1458a_100000692631_100000210202 [2,0,0,0,0,0|2,0,0]=4 1063 B12R1.367 CCC(=O)c1ccc(c(c1)C)C 1458a_100000210898_100000210202 [2,0,0,0,0,0|2,0,0]=4 1064 B12R1.367 CCC(=O)c1ccc(c(c1)C)Cl 1458a_100000686306_100000210202 [2,0,0,0,0,0|2,0,0]=4 1065 B12R1.367 CCC(=O)c1ccc(c(c1)C)F 1458a_100000751819_100000210202 [2,0,0,0,0,0|2,0,0]=4 1066 B12R1.367 CCC(=O)c1ccc(c(c1)C)I 1458a_100000751300_100000210202 [2,0,0,0,0,0|2,0,0]=4 1067 B12R1.367 CCC(=O)c1ccc(c(c1)C)O 1458a_100000685612_100000210202 [2,0,0,0,0,0|1,0,0]=3 1068 B12R1.367 CCC(=O)c1ccc(c(c1)C)O 271570a_203496583355_200012349626 [2,0,0,0,0,0|1,0,0]=3 1069 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_100000210202 [2,0,0,0,0,0|2,0,0]=4 1070 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)C 1458a_100000751740_100000210202 [2,0,0,0,0,0|2,0,0]=4 1071 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_100000210202 [2,0,0,0,0,0|2,0,0]=4 1072 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_100000210202 [2,0,0,0,0,0|2,0,0]=4 1073 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_100000210202 [2,0,0,0,0,0|2,0,0]=4 1074 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100000210202 [2,0,0,0,0,0|1,0,0]=3 1075 B12R1.367 CCC(=O)c1ccc(c(c1)F)Br 1458a_100000743946_100000210202 [2,0,0,0,0,0|2,0,0]=4 1076 B12R1.367 CCC(=O)c1ccc(c(c1)F)C 1458a_100000212313_100000210202 [2,0,0,0,0,0|2,0,0]=4 1077 B12R1.367 CCC(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_100000210202 [2,0,0,0,0,0|2,0,0]=4 1078 B12R1.367 CCC(=O)c1ccc(c(c1)F)F 1458a_100000209822_100000210202 [2,0,0,0,0,0|2,0,0]=4 1079 B12R1.367 CCC(=O)c1ccc(c(c1)F)I 1458a_100000062624_100000210202 [2,0,0,0,0,0|2,0,0]=4 1080 B12R1.367 CCC(=O)c1ccc(c(c1)F)O 1458a_100000185466_100000210202 [2,0,0,0,0,0|1,0,0]=3 1081 B12R1.367 CCC(=O)c1ccc(c(c1)I)Br 1458a_100012343876_100000210202 [2,0,0,0,0,0|2,0,0]=4 1082 B12R1.367 CCC(=O)c1ccc(c(c1)I)C 1458a_100000751299_100000210202 [2,0,0,0,0,0|2,0,0]=4 1083 B12R1.367 CCC(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_100000210202 [2,0,0,0,0,0|2,0,0]=4 1084 B12R1.367 CCC(=O)c1ccc(c(c1)I)F 1458a_100000688015_100000210202 [2,0,0,0,0,0|2,0,0]=4 1085 B12R1.367 CCC(=O)c1ccc(c(c1)I)I 1458a_100000725830_100000210202 [2,0,0,0,0,0|2,0,0]=4 1086 B12R1.367 CCC(=O)c1ccc(c(c1)I)O 1458a_100000037485_100000210202 [2,0,0,0,0,0|1,0,0]=3 1087 B12R1.367 CCC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_100000210202 [2,0,0,0,0,0|1,0,0]=3 1088 B12R1.367 CCC(=O)c1ccc(c(c1)O)C 1458a_100000233767_100000210202 [2,0,0,0,0,0|1,0,0]=3 1089 B12R1.367 CCC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_100000210202 [2,0,0,0,0,0|1,0,0]=3 1090 B12R1.367 CCC(=O)c1ccc(c(c1)O)F 1458a_100000035894_100000210202 [2,0,0,0,0,0|1,0,0]=3 1091 B12R1.367 CCC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100011216493 [2,0,0,0,0,0|1,0,0]=3 1092 B12R1.367 CCC(=O)c1ccc(c(c1)O)I 1458a_100000239334_100000210202 [2,0,0,0,0,0|1,0,0]=3 1093 B12R1.367 CCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000210202 [2,0,0,0,0,0|0,0,0]=2 1094 B12R1.367 CNC(=O)c1ccc(c(c1)Br)O 240690a_100102657272_100000189672 [2,0,0,0,0,0|2,0,0]=4 1095 B12R1.367 CNC(=O)c1ccc(c(c1)C)O 240690a_100102657272_100000685612 [2,0,0,0,0,0|2,0,0]=4 1096 B12R1.367 CNC(=O)c1ccc(c(c1)C)O 271570a_203496583355_200013065384 [2,0,0,0,0,0|2,0,0]=4 1097 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)O 240690a_100102657272_100000212196 [2,0,0,0,0,0|2,0,0]=4 1098 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)O 527a_100102657272_100000212196 [2,0,0,0,0,0|2,0,0]=4 1099 B12R1.367 CNC(=O)c1ccc(c(c1)F)O 240690a_100102657272_100000185466 [2,0,0,0,0,0|2,0,0]=4 1100 B12R1.367 CNC(=O)c1ccc(c(c1)F)O 527a_100102657272_100000185466 [2,0,0,0,0,0|2,0,0]=4 1101 B12R1.367 CNC(=O)c1ccc(c(c1)I)O 1626a_100102657272_100000037485 [2,0,0,0,0,0|2,0,0]=4 1102 B12R1.367 CNC(=O)c1ccc(c(c1)I)O 240690a_100102657272_100000037485 [2,0,0,0,0,0|2,0,0]=4 1103 B12R1.367 CNC(=O)c1ccc(c(c1)O)Br 240690a_100102657272_100000689001 [2,0,0,0,0,0|2,0,0]=4 1104 B12R1.367 CNC(=O)c1ccc(c(c1)O)Br 527a_100102657272_100000689001 [2,0,0,0,0,0|2,0,0]=4 1105 B12R1.367 CNC(=O)c1ccc(c(c1)O)C 240690a_100102657272_100000233767 [2,0,0,0,0,0|2,0,0]=4 1106 B12R1.367 CNC(=O)c1ccc(c(c1)O)Cl 240690a_100102657272_100011933997 [2,0,0,0,0,0|2,0,0]=4 1107 B12R1.367 CNC(=O)c1ccc(c(c1)O)Cl 527a_100102657272_100011933997 [2,0,0,0,0,0|2,0,0]=4 1108 B12R1.367 CNC(=O)c1ccc(c(c1)O)F 240690a_100102657272_100000035894 [2,0,0,0,0,0|2,0,0]=4 1109 B12R1.367 CNC(=O)c1ccc(c(c1)O)F 271570a_203496583355_200012359898 [2,0,0,0,0,0|2,0,0]=4 1110 B12R1.367 CNC(=O)c1ccc(c(c1)O)F 527a_100102657272_100000035894 [2,0,0,0,0,0|2,0,0]=4 1111 B12R1.367 CNC(=O)c1ccc(c(c1)O)I 1626a_100102657272_100000239334 [2,0,0,0,0,0|2,0,0]=4 1112 B12R1.367 CNC(=O)c1ccc(c(c1)O)I 240690a_100102657272_100000239334 [2,0,0,0,0,0|2,0,0]=4 1113 B12R1.367 CNC(=O)c1ccc(c(c1)O)I 527a_100102657272_100000239334 [2,0,0,0,0,0|2,0,0]=4 1114 B12R1.367 COC(=O)c1cc(c(cn1)C)O 271570a_203496583355_100000065005 [2,0,0,0,0,0|2,0,0]=4 1115 B12R1.367 COC(=O)c1cc(c(cn1)O)C 271570a_203496583355_100010080863 [2,0,0,0,0,0|2,0,0]=4 1116 B12R1.367 COC(=O)c1cc(c(cn1)O)N 271570a_203496583355_100016001589 [2,0,0,0,0,0|2,0,0]=4 1117 B12R1.367 COC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100011294788 [2,0,0,0,0,0|1,0,0]=3 1118 B12R1.367 COC(=O)c1ccc(c(c1)C)O 271570a_203496583355_100011215878 [2,0,0,0,0,0|1,0,0]=3 1119 B12R1.367 COC(=O)c1ccc(c(c1)Cl)O 271570a_203496583355_100012356344 [2,0,0,0,0,0|1,0,0]=3 1120 B12R1.367 COC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000703229 [2,0,0,0,0,0|1,0,0]=3 1121 B12R1.367 COC(=O)c1ccc(c(c1)N)O 271570a_203496583355_100011450966 [2,0,0,0,0,0|1,0,0]=3 1122 B12R1.367 COC(=O)c1ccc(c(c1)O)Br 271570a_203496583355_100012349818 [2,0,0,0,0,0|1,0,0]=3 1123 B12R1.367 COC(=O)c1ccc(c(c1)O)C 271570a_203496583355_100011218856 [2,0,0,0,0,0|1,0,0]=3 1124 B12R1.367 COC(=O)c1ccc(c(c1)O)Cl 271570a_203496583355_100011294800 [2,0,0,0,0,0|1,0,0]=3 1125 B12R1.367 COC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100000722584 [2,0,0,0,0,0|1,0,0]=3 1126 B12R1.367 COC(=O)c1ccc(c(c1)O)N 271570a_203496583355_100000187552 [2,0,0,0,0,0|1,0,0]=3 1127 B12R1.367 COC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100000216328 [2,0,0,0,0,0|0,0,0]=2 1128 B12R1.367 COC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100012350776 [2,0,0,0,0,0|0,0,0]=2 1129 B12R1.367 COC(=O)c1ccc(c(n1)C)O 271570a_203496583355_100010207261 [2,0,0,0,0,0|2,0,0]=4 1130 B12R1.367 COC(=O)c1ccc(c(n1)F)O 271570a_203496583355_100010189630 [2,0,0,0,0,0|2,0,0]=4 1131 B12R1.367 COC(=O)c1ccc(c(n1)N)O 271570a_203496583355_100010187631 [2,0,0,0,0,0|2,0,0]=4 1132 B12R1.367 COC(=O)c1ccc(c(n1)O)C 271570a_203496583355_100010143800 [2,0,0,0,0,0|2,0,0]=4 1133 B12R1.367 COC(=O)c1ccc(c(n1)O)F 271570a_203496583355_100010189626 [2,0,0,0,0,0|2,0,0]=4 1134 B12R1.367 COC(=O)c1ccc(c(n1)O)O 271570a_203496583355_100010189637 [2,0,0,0,0,0|1,0,0]=3 1135 B12R1.367 COC(=O)c1ccc(c(n1)O)O 271570a_203496583355_200009815348 [2,0,0,0,0,0|1,0,0]=3 1136 B12R1.367 COC(=O)c1cnc(c(c1)Br)O 271570a_203496583355_100010114297 [2,0,0,0,0,0|2,0,0]=4 1137 B12R1.367 COC(=O)c1cnc(c(c1)C)O 271570a_203496583355_100009862495 [2,0,0,0,0,0|2,0,0]=4 1138 B12R1.367 COC(=O)c1cnc(c(c1)F)O 271570a_203496583355_100010189625 [2,0,0,0,0,0|2,0,0]=4 1139 B12R1.367 COC(=O)c1cnc(c(c1)N)O 271570a_203496583355_100000079130 [2,0,0,0,0,0|2,0,0]=4 1140 B12R1.367 COC(=O)c1cnc(c(c1)O)Cl 271570a_203496583355_100010188758 [2,0,0,0,0,0|2,0,0]=4 1141 B12R1.367 COC(=O)c1cnc(c(c1)O)F 271570a_203496583355_100000117919 [2,0,0,0,0,0|2,0,0]=4 1142 B12R1.367 COC(=O)c1cnc(c(c1)O)N 271570a_203496583355_100009816800 [2,0,0,0,0,0|2,0,0]=4 1143 B12R1.367 COC(=O)c1cnc(c(c1)O)O 271570a_203496583355_100010109663 [2,0,0,0,0,0|1,0,0]=3 1144 B12R1.367 COC(=O)c1cnc(c(c1)O)O 271570a_203496583355_100010999399 [2,0,0,0,0,0|1,0,0]=3 1145 B12R1.367 COC(=O)c1coc(=O)c(c1)O 271570a_203496583355_100009812866 [2,0,0,0,0,0|1,0,1]=4 1146 B12R1.367 Cc1cc(ccc1O)C(=O)CF 1458a_100000685612_100015361967 [2,0,0,0,0,0|2,0,0]=4 1147 B12R1.367 Cc1ccc(cc1O)C(=O)CF 1458a_100000233767_100015361967 [2,0,0,0,0,0|2,0,0]=4 1148 B12R1.367 NCC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100016989600 [2,0,0,0,0,0|2,0,0]=4 1149 B12R1.367 O=C(CF)c1ccc(c(c1)Br)O 1458a_100000189672_100015361967 [2,0,0,0,0,0|2,0,0]=4 1150 B12R1.367 O=C(CF)c1ccc(c(c1)Cl)O 1458a_100000212196_100015361967 [2,0,0,0,0,0|2,0,0]=4 1151 B12R1.367 O=C(CF)c1ccc(c(c1)F)O 1458a_100000185466_100015361967 [2,0,0,0,0,0|2,0,0]=4 1152 B12R1.367 O=C(CF)c1ccc(c(c1)I)O 1458a_100000037485_100015361967 [2,0,0,0,0,0|2,0,0]=4 1153 B12R1.367 O=C(CF)c1ccc(c(c1)O)Br 1458a_100000689001_100015361967 [2,0,0,0,0,0|2,0,0]=4 1154 B12R1.367 O=C(CF)c1ccc(c(c1)O)Cl 1458a_100011933997_100015361967 [2,0,0,0,0,0|2,0,0]=4 1155 B12R1.367 O=C(CF)c1ccc(c(c1)O)F 1458a_100000035894_100015361967 [2,0,0,0,0,0|2,0,0]=4 1156 B12R1.367 O=C(CF)c1ccc(c(c1)O)I 1458a_100000239334_100015361967 [2,0,0,0,0,0|2,0,0]=4 1157 B12R1.367 O=C(CF)c1ccc(c(c1)O)O 1458a_100000212155_100015361967 [2,0,0,0,0,0|1,0,0]=3 1158 B12R1.1005 CC(=O)c1cc(c(c(c1)Br)O)Br 1458a_100000692688_200000210301 [2,0,0,0,0,0|2,0,0]=4 1159 B12R1.1005 CC(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_200000210301 [2,0,0,0,0,0|1,0,0]=3 1160 B12R1.1005 CC(=O)c1cc(c(c(c1)C)O)C 1458a_100011219978_200000210301 [2,0,0,0,0,0|2,0,0]=4 1161 B12R1.1005 CC(=O)c1cc(c(c(c1)Cl)O)Cl 1458a_100000184433_200000210301 [2,0,0,0,0,0|2,0,0]=4 1162 B12R1.1005 CC(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_200000210301 [2,0,0,0,0,0|1,0,0]=3 1163 B12R1.1005 CC(=O)c1cc(c(c(c1)F)F)O 1458a_200000081825_200000210301 [2,0,0,0,0,0|2,0,0]=4 1164 B12R1.1005 CC(=O)c1cc(c(c(c1)F)O)F 1458a_100000766045_200000210301 [2,0,0,0,0,0|2,0,0]=4 1165 B12R1.1005 CC(=O)c1cc(c(c(c1)F)O)F 271570a_203496583355_100010371124 [2,0,0,0,0,0|2,0,0]=4 1166 B12R1.1005 CC(=O)c1cc(c(c(c1)I)O)I 1458a_100000034356_200000210301 [2,0,0,0,0,0|2,0,0]=4 1167 B12R1.1005 CC(=O)c1cc(c(c(c1)O)C)O 1458a_100000031928_200000210301 [2,0,0,0,0,0|1,0,0]=3 1168 B12R1.1005 CC(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_200000210301 [2,0,0,0,0,0|1,0,0]=3 1169 B12R1.1005 CC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_200000210301 [2,0,0,0,0,0|0,0,0]=2 1170 B12R1.1005 Cc1c(cc(cc1O)C(=O)[13CH3])O 1458a_100000031928_200025704644 [2,0,0,0,0,0|1,0,0]=3 1171 B12R1.1005 Cc1cc(cc(c1O)C)C(=O)[13CH3] 1458a_100011219978_200025704644 [2,0,0,0,0,0|2,0,0]=4 1172 B12R1.1005 NC(=O)c1cc(c(c(c1)O)O)O 271570a_203496583355_200009814324 [2,0,0,0,0,0|1,0,0]=3 1173 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Br)O)Br 1458a_100000692688_200025704644 [2,0,0,0,0,0|2,0,0]=4 1174 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_200025704644 [2,0,0,0,0,0|1,0,0]=3 1175 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Cl)O)Cl 1458a_100000184433_200025704644 [2,0,0,0,0,0|2,0,0]=4 1176 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_200025704644 [2,0,0,0,0,0|1,0,0]=3 1177 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)F)F)O 1458a_200000081825_200025704644 [2,0,0,0,0,0|2,0,0]=4 1178 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)F)O)F 1458a_100000766045_200025704644 [2,0,0,0,0,0|2,0,0]=4 1179 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)I)O)I 1458a_100000034356_200025704644 [2,0,0,0,0,0|2,0,0]=4 1180 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_200025704644 [2,0,0,0,0,0|1,0,0]=3 1181 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_200025704644 [2,0,0,0,0,0|0,0,0]=2 1182 B14R1.61 CCCCSc1cc(c(c(c1)O)O)O 62a_100000210211_100010658518 [1,1,0,0,0,0|1,0,1]=4 1183 B14R1.61 CCNN=Cc1cc(c(c(c1)Br)O)O 4a_100000756455_100000687232 [1,1,0,0,0,0|2,0,0]=4 1184 B14R1.61 CCNN=Cc1cc(c(c(c1)O)O)O 4a_100000756455_100000042491 [1,1,0,0,0,0|1,0,0]=3 1185 B14R1.61 CCOC=Cc1cc(c(c(c1)Br)O)C 271570a_100016256518_100010982682 [1,1,0,0,0,0|2,0,0]=4 1186 B14R1.61 CCOC=Cc1cc(c(c(c1)C)O)C 271570a_100016256518_100000187306 [1,1,0,0,0,0|2,0,0]=4 1187 B14R1.61 CCOC=Cc1cc(c(c(c1)Cl)O)C 271570a_100016256518_200015900153 [1,1,0,0,0,0|2,0,0]=4 1188 B14R1.61 CCOC=Cc1cc(c(c(c1)Cl)O)Cl 271570a_100016256518_100012339652 [1,1,0,0,0,0|2,0,0]=4 1189 B14R1.61 CCOC=Cc1cc(c(c(c1)F)F)O 271570a_100016256518_100000709865 [1,1,0,0,0,0|2,0,0]=4 1190 B14R1.61 CCOC=Cc1cc(c(c(c1)F)N)O 271570a_100016256518_100015475841 [1,1,0,0,0,0|2,0,0]=4 1191 B14R1.61 CCOC=Cc1cc(c(c(c1)F)O)F 271570a_100016256518_100011216917 [1,1,0,0,0,0|2,0,0]=4 1192 B14R1.61 CCOC=Cc1cc(c(c(c1)F)O)N 271570a_100016256518_100011217383 [1,1,0,0,0,0|2,0,0]=4 1193 B14R1.61 CCOC=Cc1cc(c(c(c1)N)O)C 271570a_100016256518_100011825904 [1,1,0,0,0,0|2,0,0]=4 1194 B14R1.61 CCOC=Cc1cc(c(c(c1)O)N)C 271570a_100016256518_100010371313 [1,1,0,0,0,0|2,0,0]=4 1195 B14R1.61 CCOCSc1cc(c(c(c1)F)O)O 62a_100000739092_100010114375 [1,1,0,0,0,0|1,0,1]=4 1196 B14R1.61 CCOCSc1cc(c(c(c1)O)O)O 62a_100000739092_100010658518 [1,1,0,0,0,0|0,0,1]=3 1197 B14R1.61 COCCSc1cc(c(c(c1)O)O)O 62a_100000233755_100010658518 [1,1,0,0,0,0|2,0,0]=4 1198 B14R1.61 CSCCSc1cc(c(c(c1)O)O)O 62a_100000212216_100010658518 [1,1,0,0,0,0|2,0,0]=4 1199 B14R1.61 OCCCSc1cc(c(c(c1)O)O)O 62a_100011215043_100010658518 [1,1,0,0,0,0|2,0,0]=4 1200 B14R1.61 Oc1cc(cc(c1O)O)SCCCF 62a_100011934791_100010658518 [1,1,0,0,0,0|2,0,0]=4 1201 B14R1.708 CCC(C)Sc1cc(c(c(c1)O)O)O 62a_100000758301_100010658518 [1,1,0,0,0,0|2,0,0]=4 1202 B14R1.7499 CCCSc1cc(c(c(c1)OC)O)O 62a_100000210303_200159242197 [1,1,0,0,0,0|2,0,0]=4 1203 B14R1.15552 CC(C)CSc1cc(c(c(c1)O)O)O 62a_100000210624_100010658518 [1,1,0,0,0,0|2,0,0]=4 1204 B14R1.15552 CC(O)CSc1cc(c(c(c1)O)O)O 62a_100011218427_100010658518 [1,1,0,0,0,0|2,0,0]=4 1205 B14R1.15552 C[C@@H](O)CSc1cc(c(c(c1)O)O)O 62a_100009817552_100010658518 [1,1,0,0,0,0|2,0,0]=4 1206 B14R1.605 C=Cc1cc(cc(c1)C(=O)OCC)Br 271570a_100011290941_200012351389 [1,1,0,0,0,0|2,0,0]=4 1207 B14R1.605 C=Cc1cc(cc(c1)C(=O)OCC)F 271570a_100011290941_200011295119 [1,1,0,0,0,0|2,0,0]=4 1208 B14R1.605 CCCC(=O)c1cc(cc(c1)CO)Cl 1458a_100009925505_100000210303 [1,1,0,0,0,0|2,0,0]=4 1209 B14R1.605 CCCC(=O)c1cc(cc(c1)CO)F 1458a_100012278920_100000210303 [1,1,0,0,0,0|2,0,0]=4 1210 B14R1.605 CCCC(=O)c1cc(cc(c1)OC)Br 1458a_100011934030_100000210303 [1,1,0,0,0,0|2,0,0]=4 1211 B14R1.605 CCCC(=O)c1cc(cc(c1)OC)C 1458a_100000117910_100000210303 [1,1,0,0,0,0|2,0,0]=4 1212 B14R1.605 CCCC(=O)c1cc(cc(c1)OC)Cl 1458a_100000066651_100000210303 [1,1,0,0,0,0|2,0,0]=4 1213 B14R1.605 CCCC(=O)c1cc(cc(c1)OC)F 1458a_100011934639_100000210303 [1,1,0,0,0,0|2,0,0]=4 1214 B14R1.605 CCCC(=O)c1cc(cc(c1)OC)I 1458a_200010292657_100000210303 [1,1,0,0,0,0|2,0,0]=4 1215 B14R1.605 CCCC(=O)c1cc(cc(c1)OC)O 1458a_100000083963_100000210303 [1,1,0,0,0,0|1,0,0]=3 1216 B14R1.605 CCNC(=O)c1cc(cc(c1)CO)Cl 240690a_100015525214_100009925505 [1,1,0,0,0,0|2,0,0]=4 1217 B14R1.605 CCNC(=O)c1cc(cc(c1)CO)F 240690a_100015525214_100012278920 [1,1,0,0,0,0|2,0,0]=4 1218 B14R1.605 CCNC(=O)c1cc(cc(c1)OC)Br 11a_100015525214_100011934030 [1,1,0,0,0,0|2,0,0]=4 1219 B14R1.605 CCNC(=O)c1cc(cc(c1)OC)Br 240690a_100015525214_100011934030 [1,1,0,0,0,0|2,0,0]=4 1220 B14R1.605 CCNC(=O)c1cc(cc(c1)OC)Br 527a_100015525214_100011934030 [1,1,0,0,0,0|2,0,0]=4 1221 B14R1.605 CCNC(=O)c1cc(cc(c1)OC)C 11a_100015525214_100000117910 [1,1,0,0,0,0|2,0,0]=4 1222 B14R1.605 CCNC(=O)c1cc(cc(c1)OC)C 240690a_100015525214_100000117910 [1,1,0,0,0,0|2,0,0]=4 1223 B14R1.605 CCNC(=O)c1cc(cc(c1)OC)C 527a_100015525214_100000117910 [1,1,0,0,0,0|2,0,0]=4 1224 B14R1.605 CCNC(=O)c1cc(cc(c1)OC)Cl 11a_100015525214_100000066651 [1,1,0,0,0,0|2,0,0]=4 1225 B14R1.605 CCNC(=O)c1cc(cc(c1)OC)Cl 240690a_100015525214_100000066651 [1,1,0,0,0,0|2,0,0]=4 1226 B14R1.605 CCNC(=O)c1cc(cc(c1)OC)Cl 527a_100015525214_100000066651 [1,1,0,0,0,0|2,0,0]=4 1227 B14R1.605 CCNC(=O)c1cc(cc(c1)OC)F 11a_100015525214_100011934639 [1,1,0,0,0,0|2,0,0]=4 1228 B14R1.605 CCNC(=O)c1cc(cc(c1)OC)F 240690a_100015525214_100011934639 [1,1,0,0,0,0|2,0,0]=4 1229 B14R1.605 CCNC(=O)c1cc(cc(c1)OC)F 527a_100015525214_100011934639 [1,1,0,0,0,0|2,0,0]=4 1230 B14R1.605 CCNC(=O)c1cc(cc(c1)OC)I 11a_100015525214_200010292657 [1,1,0,0,0,0|2,0,0]=4 1231 B14R1.605 CCNC(=O)c1cc(cc(c1)OC)I 240690a_100015525214_200010292657 [1,1,0,0,0,0|2,0,0]=4 1232 B14R1.605 CCNC(=O)c1cc(cc(c1)OC)I 527a_100015525214_200010292657 [1,1,0,0,0,0|2,0,0]=4 1233 B14R1.605 CCNC(=O)c1cc(cc(c1)OC)O 240690a_100015525214_100000083963 [1,1,0,0,0,0|1,0,0]=3 1234 B14R1.605 CCNC(=O)c1cc(cc(c1)OC)O 527a_100015525214_100000083963 [1,1,0,0,0,0|1,0,0]=3 1235 B14R1.605 CCOC(=O)c1cc(cc(c1)SC)Br 62a_200000210301_200012351389 [1,1,0,0,0,0|1,1,0]=4 1236 B14R1.605 CCOC(=O)c1cc(cc(c1)SC)Br 62a_200012351389_200000210301 [1,1,0,0,0,0|1,1,0]=4 1237 B14R1.605 CCOC(=O)c1cc(cc(c1)SC)F 62a_200000210301_200011295119 [1,1,0,0,0,0|1,1,0]=4 1238 B14R1.605 CCOC(=O)c1cc(cc(c1)SC)F 62a_200011295119_200000210301 [1,1,0,0,0,0|1,1,0]=4 1239 B14R1.605 CCOC(=O)c1cc(cc(c1)S[13CH3])Br 62a_200012351389_200025704644 [1,1,0,0,0,0|1,1,0]=4 1240 B14R1.605 CCOC(=O)c1cc(cc(c1)S[13CH3])Br 62a_200025704644_200012351389 [1,1,0,0,0,0|1,1,0]=4 1241 B14R1.605 CCOC(=O)c1cc(cc(c1)S[13CH3])F 62a_200011295119_200025704644 [1,1,0,0,0,0|1,1,0]=4 1242 B14R1.605 CCOC(=O)c1cc(cc(c1)S[13CH3])F 62a_200025704644_200011295119 [1,1,0,0,0,0|1,1,0]=4 1243 B14R1.605 CNNC(=O)c1cc(cc(c1)OC)O 22a_100016993582_100000083963 [1,1,0,0,0,0|2,0,0]=4 1244 B14R1.605 COc1cc(cc(c1)C(=O)CCF)O 1458a_100000083963_100011217306 [1,1,0,0,0,0|2,0,0]=4 1245 B14R1.605 COc1cc(cc(c1)C(=O)CCO)O 1458a_100000083963_100000211926 [1,1,0,0,0,0|2,0,0]=4 1246 B14R1.923 C#CCNC(=O)c1cc(cc(c1)O)O 240690a_100000212058_100000690292 [1,1,0,0,0,0|1,0,1]=4 1247 B14R1.923 C#CCNC(=O)c1cc(cc(c1)O)O 527a_100000212058_100000690292 [1,1,0,0,0,0|1,0,1]=4 1248 B14R1.923 C=CCNC(=O)c1cc(cc(c1)O)O 240690a_100020586998_100000690292 [1,1,0,0,0,0|1,0,1]=4 1249 B14R1.923 C=CCNC(=O)c1cc(cc(c1)O)O 527a_100020586998_100000690292 [1,1,0,0,0,0|1,0,1]=4 1250 B14R1.923 CCCCC(=O)c1cc(cc(c1)Br)O 1458a_100011934545_100000210211 [1,1,0,0,0,0|2,0,0]=4 1251 B14R1.923 CCCCC(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_100000210211 [1,1,0,0,0,0|2,0,0]=4 1252 B14R1.923 CCCCC(=O)c1cc(cc(c1)F)O 1458a_100012017291_100000210211 [1,1,0,0,0,0|2,0,0]=4 1253 B14R1.923 CCCCC(=O)c1cc(cc(c1)O)C 1458a_100000094094_100000210211 [1,1,0,0,0,0|2,0,0]=4 1254 B14R1.923 CCCNC(=O)c1cc(cc(c1)Br)O 240690a_100020643023_100011934545 [1,1,0,0,0,0|2,0,0]=4 1255 B14R1.923 CCCNC(=O)c1cc(cc(c1)Br)O 527a_100020643023_100011934545 [1,1,0,0,0,0|2,0,0]=4 1256 B14R1.923 CCCNC(=O)c1cc(cc(c1)Cl)O 240690a_100020643023_100011997059 [1,1,0,0,0,0|2,0,0]=4 1257 B14R1.923 CCCNC(=O)c1cc(cc(c1)Cl)O 527a_100020643023_100011997059 [1,1,0,0,0,0|2,0,0]=4 1258 B14R1.923 CCCNC(=O)c1cc(cc(c1)F)O 11a_100020643023_100012017291 [1,1,0,0,0,0|2,0,0]=4 1259 B14R1.923 CCCNC(=O)c1cc(cc(c1)F)O 240690a_100020643023_100012017291 [1,1,0,0,0,0|2,0,0]=4 1260 B14R1.923 CCCNC(=O)c1cc(cc(c1)F)O 527a_100020643023_100012017291 [1,1,0,0,0,0|2,0,0]=4 1261 B14R1.923 CCCNC(=O)c1cc(cc(c1)O)C 240690a_100020643023_100000094094 [1,1,0,0,0,0|2,0,0]=4 1262 B14R1.923 CCCNC(=O)c1cc(cc(c1)O)C 527a_100020643023_100000094094 [1,1,0,0,0,0|2,0,0]=4 1263 B14R1.923 CCCNC(=O)c1cc(cc(c1)O)O 240690a_100020643023_100000690292 [1,1,0,0,0,0|1,0,0]=3 1264 B14R1.923 CCCNC(=O)c1cc(cc(c1)O)O 527a_100020643023_100000690292 [1,1,0,0,0,0|1,0,0]=3 1265 B14R1.923 CCNCC(=O)c1cc(cc(c1)O)O 2230a_100015525214_100010006762 [1,1,0,0,0,0|1,0,0]=3 1266 B14R1.923 CCNN=C(C)c1cc(cc(c1)O)O 4a_100000756455_100000032396 [1,1,0,0,0,0|2,0,0]=4 1267 B14R1.923 CCNNC(=O)c1cc(cc(c1)Br)O 22a_100000756455_100011934545 [1,1,0,0,0,0|2,0,0]=4 1268 B14R1.923 CCNNC(=O)c1cc(cc(c1)Cl)O 22a_100000756455_100011997059 [1,1,0,0,0,0|2,0,0]=4 1269 B14R1.923 CCNNC(=O)c1cc(cc(c1)F)O 22a_100000756455_100012017291 [1,1,0,0,0,0|2,0,0]=4 1270 B14R1.923 CCNNC(=O)c1cc(cc(c1)O)C 22a_100000756455_100000094094 [1,1,0,0,0,0|2,0,0]=4 1271 B14R1.923 CCNNC(=O)c1cc(cc(c1)O)O 22a_100000756455_100000690292 [1,1,0,0,0,0|1,0,0]=3 1272 B14R1.923 CCOCC(=O)c1cc(cc(c1)Cl)Cl 34a_100121572206_200012340517 [1,1,0,0,0,0|2,0,0]=4 1273 B14R1.923 CCOCC(=O)c1cc(cc(c1)F)F 34a_100012568930_100000210202 [1,1,0,0,0,0|2,0,0]=4 1274 B14R1.923 CCOCC(=O)c1cc(cc(c1)F)F 34a_100121572206_100011216790 [1,1,0,0,0,0|2,0,0]=4 1275 B14R1.923 CCOCC(=O)c1cc(cc(c1)F)F 7a_100012568930_100000210202 [1,1,0,0,0,0|2,0,0]=4 1276 B14R1.923 CCOCC(=O)c1cc(cc(c1)O)O 34a_100121572206_100010006762 [1,1,0,0,0,0|0,0,0]=2 1277 B14R1.923 CCSCC(=O)c1cc(cc(c1)O)O 62a_100000210202_100010006762 [1,1,0,0,0,0|0,1,0]=3 1278 B14R1.923 CCSCC(=O)c1cc(cc(c1)O)O 62a_100010006762_100000210202 [1,1,0,0,0,0|0,1,0]=3 1279 B14R1.923 COCCC(=O)c1cc(cc(c1)Br)O 1458a_100011934545_100000233755 [1,1,0,0,0,0|2,0,0]=4 1280 B14R1.923 COCCC(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_100000233755 [1,1,0,0,0,0|2,0,0]=4 1281 B14R1.923 COCCC(=O)c1cc(cc(c1)F)O 1458a_100012017291_100000233755 [1,1,0,0,0,0|2,0,0]=4 1282 B14R1.923 COCCC(=O)c1cc(cc(c1)O)C 1458a_100000094094_100000233755 [1,1,0,0,0,0|2,0,0]=4 1283 B14R1.923 CSCCC(=O)c1cc(cc(c1)Br)O 1458a_100011934545_100000751147 [1,1,0,0,0,0|2,0,0]=4 1284 B14R1.923 CSCCC(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_100000751147 [1,1,0,0,0,0|2,0,0]=4 1285 B14R1.923 CSCCC(=O)c1cc(cc(c1)F)O 1458a_100012017291_100000751147 [1,1,0,0,0,0|2,0,0]=4 1286 B14R1.923 CSCCC(=O)c1cc(cc(c1)O)C 1458a_100000094094_100000751147 [1,1,0,0,0,0|2,0,0]=4 1287 B14R1.923 Cc1cc(cc(c1)C(=O)CCCF)O 1458a_100000094094_100011934791 [1,1,0,0,0,0|2,0,0]=4 1288 B14R1.923 Cc1cc(cc(c1)C(=O)CCCO)O 1458a_100000094094_100011215043 [1,1,0,0,0,0|2,0,0]=4 1289 B14R1.923 Cc1cc(cc(c1)C(=O)NCCF)O 240690a_100000724931_100000094094 [1,1,0,0,0,0|2,0,0]=4 1290 B14R1.923 Cc1cc(cc(c1)C(=O)NCCF)O 527a_100000724931_100000094094 [1,1,0,0,0,0|2,0,0]=4 1291 B14R1.923 Cc1cc(cc(c1)C(=O)NCCO)O 240690a_100000210304_100000094094 [1,1,0,0,0,0|2,0,0]=4 1292 B14R1.923 Cc1cc(cc(c1)C(=O)NCCO)O 527a_100000210304_100000094094 [1,1,0,0,0,0|2,0,0]=4 1293 B14R1.923 N#CCNC(=O)c1cc(cc(c1)O)O 527a_100000734998_100000690292 [1,1,0,0,0,0|1,0,1]=4 1294 B14R1.923 O=C(CCCF)c1cc(cc(c1)Br)O 1458a_100011934545_100011934791 [1,1,0,0,0,0|2,0,0]=4 1295 B14R1.923 O=C(CCCF)c1cc(cc(c1)Cl)O 1458a_100011997059_100011934791 [1,1,0,0,0,0|2,0,0]=4 1296 B14R1.923 O=C(CCCF)c1cc(cc(c1)F)O 1458a_100012017291_100011934791 [1,1,0,0,0,0|2,0,0]=4 1297 B14R1.923 O=C(CCCO)c1cc(cc(c1)Br)O 1458a_100011934545_100011215043 [1,1,0,0,0,0|2,0,0]=4 1298 B14R1.923 O=C(CCCO)c1cc(cc(c1)Cl)O 1458a_100011997059_100011215043 [1,1,0,0,0,0|2,0,0]=4 1299 B14R1.923 O=C(CCCO)c1cc(cc(c1)F)O 1458a_100012017291_100011215043 [1,1,0,0,0,0|2,0,0]=4 1300 B14R1.923 O=C(CSCF)c1cc(cc(c1)O)O 62a_100010006762_100015361967 [1,1,0,0,0,0|1,1,0]=4 1301 B14R1.923 O=C(CSCF)c1cc(cc(c1)O)O 62a_100015361967_100010006762 [1,1,0,0,0,0|1,1,0]=4 1302 B14R1.923 O=C(NCCF)c1cc(cc(c1)Br)O 240690a_100000724931_100011934545 [1,1,0,0,0,0|2,0,0]=4 1303 B14R1.923 O=C(NCCF)c1cc(cc(c1)Br)O 527a_100000724931_100011934545 [1,1,0,0,0,0|2,0,0]=4 1304 B14R1.923 O=C(NCCF)c1cc(cc(c1)Cl)O 240690a_100000724931_100011997059 [1,1,0,0,0,0|2,0,0]=4 1305 B14R1.923 O=C(NCCF)c1cc(cc(c1)Cl)O 527a_100000724931_100011997059 [1,1,0,0,0,0|2,0,0]=4 1306 B14R1.923 O=C(NCCF)c1cc(cc(c1)F)O 11a_100000724931_100012017291 [1,1,0,0,0,0|2,0,0]=4 1307 B14R1.923 O=C(NCCF)c1cc(cc(c1)F)O 240690a_100000724931_100012017291 [1,1,0,0,0,0|2,0,0]=4 1308 B14R1.923 O=C(NCCF)c1cc(cc(c1)F)O 527a_100000724931_100012017291 [1,1,0,0,0,0|2,0,0]=4 1309 B14R1.923 O=C(NCCF)c1cc(cc(c1)O)O 240690a_100000724931_100000690292 [1,1,0,0,0,0|1,0,0]=3 1310 B14R1.923 O=C(NCCF)c1cc(cc(c1)O)O 527a_100000724931_100000690292 [1,1,0,0,0,0|1,0,0]=3 1311 B14R1.923 O=C(NCCO)c1cc(cc(c1)Br)O 240690a_100000210304_100011934545 [1,1,0,0,0,0|2,0,0]=4 1312 B14R1.923 O=C(NCCO)c1cc(cc(c1)Br)O 527a_100000210304_100011934545 [1,1,0,0,0,0|2,0,0]=4 1313 B14R1.923 O=C(NCCO)c1cc(cc(c1)Cl)O 240690a_100000210304_100011997059 [1,1,0,0,0,0|2,0,0]=4 1314 B14R1.923 O=C(NCCO)c1cc(cc(c1)Cl)O 527a_100000210304_100011997059 [1,1,0,0,0,0|2,0,0]=4 1315 B14R1.923 O=C(NCCO)c1cc(cc(c1)F)O 240690a_100000210304_100012017291 [1,1,0,0,0,0|2,0,0]=4 1316 B14R1.923 O=C(NCCO)c1cc(cc(c1)F)O 527a_100000210304_100012017291 [1,1,0,0,0,0|2,0,0]=4 1317 B14R1.923 O=C(NCCO)c1cc(cc(c1)O)O 240690a_100000210304_100000690292 [1,1,0,0,0,0|1,0,0]=3 1318 B14R1.923 O=C(NCCO)c1cc(cc(c1)O)O 527a_100000210304_100000690292 [1,1,0,0,0,0|1,0,0]=3 1319 B14R1.993 CCC(C)C(=O)c1cc(cc(c1)Br)O 1458a_100011934545_100000758301 [1,1,0,0,0,0|2,0,0]=4 1320 B14R1.993 CCC(C)C(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_100000758301 [1,1,0,0,0,0|2,0,0]=4 1321 B14R1.993 CCC(C)C(=O)c1cc(cc(c1)F)O 1458a_100012017291_100000758301 [1,1,0,0,0,0|2,0,0]=4 1322 B14R1.993 CCC(C)C(=O)c1cc(cc(c1)O)C 1458a_100000094094_100000758301 [1,1,0,0,0,0|2,0,0]=4 1323 B14R1.993 CCN(C)C(=O)c1cc(cc(c1)Br)O 240690a_100000225621_100011934545 [1,1,0,0,0,0|2,0,0]=4 1324 B14R1.993 CCN(C)C(=O)c1cc(cc(c1)Br)O 527a_100000225621_100011934545 [1,1,0,0,0,0|2,0,0]=4 1325 B14R1.993 CCN(C)C(=O)c1cc(cc(c1)Cl)O 240690a_100000225621_100011997059 [1,1,0,0,0,0|2,0,0]=4 1326 B14R1.993 CCN(C)C(=O)c1cc(cc(c1)Cl)O 527a_100000225621_100011997059 [1,1,0,0,0,0|2,0,0]=4 1327 B14R1.993 CCN(C)C(=O)c1cc(cc(c1)F)O 11a_100000225621_100012017291 [1,1,0,0,0,0|2,0,0]=4 1328 B14R1.993 CCN(C)C(=O)c1cc(cc(c1)F)O 240690a_100000225621_100012017291 [1,1,0,0,0,0|2,0,0]=4 1329 B14R1.993 CCN(C)C(=O)c1cc(cc(c1)F)O 527a_100000225621_100012017291 [1,1,0,0,0,0|2,0,0]=4 1330 B14R1.993 CCN(C)C(=O)c1cc(cc(c1)O)C 240690a_100000225621_100000094094 [1,1,0,0,0,0|2,0,0]=4 1331 B14R1.993 CCN(C)C(=O)c1cc(cc(c1)O)C 527a_100000225621_100000094094 [1,1,0,0,0,0|2,0,0]=4 1332 B14R1.993 CCN(C)C(=O)c1cc(cc(c1)O)O 240690a_100000225621_100000690292 [1,1,0,0,0,0|1,0,0]=3 1333 B14R1.993 CCN(C)C(=O)c1cc(cc(c1)O)O 527a_100000225621_100000690292 [1,1,0,0,0,0|1,0,0]=3 1334 B14R1.4252 CC(C)CC(=O)c1cc(cc(c1)Br)O 1458a_100011934545_100000210624 [1,1,0,0,0,0|2,0,0]=4 1335 B14R1.4252 CC(C)CC(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_100000210624 [1,1,0,0,0,0|2,0,0]=4 1336 B14R1.4252 CC(C)CC(=O)c1cc(cc(c1)F)O 1458a_100012017291_100000210624 [1,1,0,0,0,0|2,0,0]=4 1337 B14R1.4252 CC(C)NC(=O)c1cc(cc(c1)Br)O 240690a_100138425928_100011934545 [1,1,0,0,0,0|2,0,0]=4 1338 B14R1.4252 CC(C)NC(=O)c1cc(cc(c1)Br)O 527a_100138425928_100011934545 [1,1,0,0,0,0|2,0,0]=4 1339 B14R1.4252 CC(C)NC(=O)c1cc(cc(c1)Cl)O 240690a_100138425928_100011997059 [1,1,0,0,0,0|2,0,0]=4 1340 B14R1.4252 CC(C)NC(=O)c1cc(cc(c1)Cl)O 527a_100138425928_100011997059 [1,1,0,0,0,0|2,0,0]=4 1341 B14R1.4252 CC(C)NC(=O)c1cc(cc(c1)F)O 11a_100138425928_100012017291 [1,1,0,0,0,0|2,0,0]=4 1342 B14R1.4252 CC(C)NC(=O)c1cc(cc(c1)F)O 240690a_100138425928_100012017291 [1,1,0,0,0,0|2,0,0]=4 1343 B14R1.4252 CC(C)NC(=O)c1cc(cc(c1)F)O 527a_100138425928_100012017291 [1,1,0,0,0,0|2,0,0]=4 1344 B14R1.4252 CC(C)NC(=O)c1cc(cc(c1)O)O 240690a_100138425928_100000690292 [1,1,0,0,0,0|1,0,0]=3 1345 B14R1.4252 CC(C)NC(=O)c1cc(cc(c1)O)O 527a_100138425928_100000690292 [1,1,0,0,0,0|1,0,0]=3 1346 B14R1.4252 CC(O)CC(=O)c1cc(cc(c1)Br)O 1458a_100011934545_100011218427 [1,1,0,0,0,0|2,0,0]=4 1347 B14R1.4252 CC(O)CC(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_100011218427 [1,1,0,0,0,0|2,0,0]=4 1348 B14R1.4252 CC(O)CC(=O)c1cc(cc(c1)F)O 1458a_100012017291_100011218427 [1,1,0,0,0,0|2,0,0]=4 1349 B14R1.4252 CN(C)CC(=O)c1cc(cc(c1)O)O 2230a_100102631434_100010006762 [1,1,0,0,0,0|2,0,0]=4 1350 B14R1.4252 CN(C)CC(=O)c1cc(cc(c1)O)O 269982a_100102631434_100010006762 [1,1,0,0,0,0|2,0,0]=4 1351 B14R1.4252 Cc1cc(cc(c1)C(=O)CC(C)C)O 1458a_100000094094_100000210624 [1,1,0,0,0,0|2,0,0]=4 1352 B14R1.4252 Cc1cc(cc(c1)C(=O)CC(C)O)O 1458a_100000094094_100011218427 [1,1,0,0,0,0|2,0,0]=4 1353 B14R1.4252 Cc1cc(cc(c1)C(=O)NC(C)C)O 240690a_100138425928_100000094094 [1,1,0,0,0,0|2,0,0]=4 1354 B14R1.4252 Cc1cc(cc(c1)C(=O)NC(C)C)O 527a_100138425928_100000094094 [1,1,0,0,0,0|2,0,0]=4 1355 B14R1.18985 CCCC(=O)c1cc(cc(c1C)O)Br 1458a_100011101721_100000210303 [1,1,0,0,0,0|2,0,0]=4 1356 B14R1.18985 CCCC(=O)c1cc(cc(c1O)O)Br 1458a_200010196872_100000210303 [1,1,0,0,0,0|2,0,0]=4 1357 B14R1.18985 CCNC(=O)c1cc(cc(c1C)O)Br 240690a_100015525214_100011101721 [1,1,0,0,0,0|2,0,0]=4 1358 B14R1.18985 CCNC(=O)c1cc(cc(c1C)O)Br 527a_100015525214_100011101721 [1,1,0,0,0,0|2,0,0]=4 1359 B14R1.18985 CCOC(=O)c1cc(cc(c1F)C)O 271570a_203496583355_100012928944 [1,1,0,0,0,0|1,0,0]=3 1360 B14R1.18985 CCOC(=O)c1cc(cc(c1F)O)F 271570a_203496583355_100012920303 [1,1,0,0,0,0|1,0,0]=3 1361 B14R1.626 C=Cc1cc(ccc1C)C(=O)OCC 271570a_100011290941_100012359631 [1,1,0,0,0,0|2,0,0]=4 1362 B14R1.626 C=Cc1cc(ccc1F)C(=O)OCC 271570a_100011290941_100011934563 [1,1,0,0,0,0|2,0,0]=4 1363 B14R1.626 C=Cc1cc(ccc1N)C(=O)OCC 271570a_100011290941_100161115259 [1,1,0,0,0,0|2,0,0]=4 1364 B14R1.626 C=Cc1cc(ccc1O)C(=O)OCC 271570a_100011290941_100009812659 [1,1,0,0,0,0|1,0,0]=3 1365 B14R1.626 C=Cc1cc(cnc1O)C(=O)OCC 271570a_100011290941_100010004467 [1,1,0,0,0,0|2,0,0]=4 1366 B14R1.626 CCCC(=O)c1ccc(c(c1)C#N)O 1458a_100009875055_100000210303 [1,1,0,0,0,0|2,0,0]=4 1367 B14R1.626 CCCC(=O)c1ccc(c(c1)CO)Br 1458a_100010218026_100000210303 [1,1,0,0,0,0|2,0,0]=4 1368 B14R1.626 CCCC(=O)c1ccc(c(c1)CO)F 1458a_100011803322_100000210303 [1,1,0,0,0,0|2,0,0]=4 1369 B14R1.626 CCCC(=O)c1ccc(c(c1)OC)Br 1458a_100011934951_100000210303 [1,1,0,0,0,0|2,0,0]=4 1370 B14R1.626 CCCC(=O)c1ccc(c(c1)OC)C 1458a_100000212341_100000210303 [1,1,0,0,0,0|2,0,0]=4 1371 B14R1.626 CCCC(=O)c1ccc(c(c1)OC)Cl 1458a_100000181799_100000210303 [1,1,0,0,0,0|2,0,0]=4 1372 B14R1.626 CCCC(=O)c1ccc(c(c1)OC)F 1458a_100000757635_100000210303 [1,1,0,0,0,0|2,0,0]=4 1373 B14R1.626 CCCC(=O)c1ccc(c(c1)OC)I 1458a_100012356290_100000210303 [1,1,0,0,0,0|2,0,0]=4 1374 B14R1.626 CCCC(=O)c1ccc(c(c1)OC)O 1458a_100000687070_100000210303 [1,1,0,0,0,0|1,0,0]=3 1375 B14R1.626 CCNC(=O)c1ccc(c(c1)CO)Br 240690a_100015525214_100010218026 [1,1,0,0,0,0|2,0,0]=4 1376 B14R1.626 CCNC(=O)c1ccc(c(c1)CO)F 240690a_100015525214_100011803322 [1,1,0,0,0,0|2,0,0]=4 1377 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)Br 11a_100015525214_100011934951 [1,1,0,0,0,0|2,0,0]=4 1378 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)Br 240690a_100015525214_100011934951 [1,1,0,0,0,0|2,0,0]=4 1379 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)Br 527a_100015525214_100011934951 [1,1,0,0,0,0|2,0,0]=4 1380 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)C 11a_100015525214_100000212341 [1,1,0,0,0,0|2,0,0]=4 1381 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)C 240690a_100015525214_100000212341 [1,1,0,0,0,0|2,0,0]=4 1382 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)C 527a_100015525214_100000212341 [1,1,0,0,0,0|2,0,0]=4 1383 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)Cl 11a_100015525214_100000181799 [1,1,0,0,0,0|2,0,0]=4 1384 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)Cl 240690a_100015525214_100000181799 [1,1,0,0,0,0|2,0,0]=4 1385 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)Cl 527a_100015525214_100000181799 [1,1,0,0,0,0|2,0,0]=4 1386 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)F 11a_100015525214_100000757635 [1,1,0,0,0,0|2,0,0]=4 1387 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)F 240690a_100015525214_100000757635 [1,1,0,0,0,0|2,0,0]=4 1388 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)F 527a_100015525214_100000757635 [1,1,0,0,0,0|2,0,0]=4 1389 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)I 11a_100015525214_100012356290 [1,1,0,0,0,0|2,0,0]=4 1390 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)I 240690a_100015525214_100012356290 [1,1,0,0,0,0|2,0,0]=4 1391 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)I 527a_100015525214_100012356290 [1,1,0,0,0,0|2,0,0]=4 1392 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)O 240690a_100015525214_100000687070 [1,1,0,0,0,0|1,0,0]=3 1393 B14R1.626 CCOC(=O)c1ccc(c(c1)OC)Br 7a_100012355281_200000210301 [1,1,0,0,0,0|1,0,0]=3 1394 B14R1.626 CCOC(=O)c1ccc(c(c1)OC)F 34a_200009842343_200000210301 [1,1,0,0,0,0|1,0,0]=3 1395 B14R1.626 CCOC(=O)c1ccc(c(c1)OC)F 7a_200009842343_200000210301 [1,1,0,0,0,0|1,0,0]=3 1396 B14R1.626 CCOC(=O)c1ccc(c(c1)OC)N 7a_100000756704_200000210301 [1,1,0,0,0,0|1,0,0]=3 1397 B14R1.626 CCOC(=O)c1ccc(c(c1)OC)O 271570a_203496583355_100010189661 [1,1,0,0,0,0|0,0,0]=2 1398 B14R1.626 CCOC(=O)c1ccc(c(c1)O[13CH3])Br 7a_100012355281_200025704644 [1,1,0,0,0,0|1,0,0]=3 1399 B14R1.626 CCOC(=O)c1ccc(c(c1)O[13CH3])F 34a_200009842343_200025704644 [1,1,0,0,0,0|1,0,0]=3 1400 B14R1.626 CCOC(=O)c1ccc(c(c1)O[13CH3])F 7a_200009842343_200025704644 [1,1,0,0,0,0|1,0,0]=3 1401 B14R1.626 CCOC(=O)c1ccc(c(c1)O[13CH3])N 7a_100000756704_200025704644 [1,1,0,0,0,0|1,0,0]=3 1402 B14R1.626 CCOC(=O)c1ccc(c(c1)SC)C 62a_100012359631_200000210301 [1,1,0,0,0,0|1,1,0]=4 1403 B14R1.626 CCOC(=O)c1ccc(c(c1)SC)C 62a_200000210301_100012359631 [1,1,0,0,0,0|1,1,0]=4 1404 B14R1.626 CCOC(=O)c1ccc(c(c1)SC)F 62a_100011934563_200000210301 [1,1,0,0,0,0|1,1,0]=4 1405 B14R1.626 CCOC(=O)c1ccc(c(c1)SC)F 62a_200000210301_100011934563 [1,1,0,0,0,0|1,1,0]=4 1406 B14R1.626 CCOC(=O)c1ccc(c(c1)SC)N 62a_100161115259_200000210301 [1,1,0,0,0,0|1,1,0]=4 1407 B14R1.626 CCOC(=O)c1ccc(c(c1)SC)N 62a_200000210301_100161115259 [1,1,0,0,0,0|1,1,0]=4 1408 B14R1.626 CCOC(=O)c1ccc(c(c1)SC)O 62a_200000210301_100009812659 [1,1,0,0,0,0|0,1,0]=3 1409 B14R1.626 CCOC(=O)c1ccc(c(c1)S[13CH3])C 62a_100012359631_200025704644 [1,1,0,0,0,0|1,1,0]=4 1410 B14R1.626 CCOC(=O)c1ccc(c(c1)S[13CH3])C 62a_200025704644_100012359631 [1,1,0,0,0,0|1,1,0]=4 1411 B14R1.626 CCOC(=O)c1ccc(c(c1)S[13CH3])F 62a_100011934563_200025704644 [1,1,0,0,0,0|1,1,0]=4 1412 B14R1.626 CCOC(=O)c1ccc(c(c1)S[13CH3])F 62a_200025704644_100011934563 [1,1,0,0,0,0|1,1,0]=4 1413 B14R1.626 CCOC(=O)c1ccc(c(c1)S[13CH3])N 62a_100161115259_200025704644 [1,1,0,0,0,0|1,1,0]=4 1414 B14R1.626 CCOC(=O)c1ccc(c(c1)S[13CH3])N 62a_200025704644_100161115259 [1,1,0,0,0,0|1,1,0]=4 1415 B14R1.626 CCOC(=O)c1ccc(c(c1)S[13CH3])O 62a_200025704644_100009812659 [1,1,0,0,0,0|0,1,0]=3 1416 B14R1.626 CCOC(=O)c1cnc(c(c1)OC)I 7a_100010179890_200000210301 [1,1,0,0,0,0|2,0,0]=4 1417 B14R1.626 CCOC(=O)c1cnc(c(c1)O[13CH3])I 7a_100010179890_200025704644 [1,1,0,0,0,0|2,0,0]=4 1418 B14R1.626 CCOC(=O)c1cnc(c(c1)SC)O 62a_200000210301_100010004467 [1,1,0,0,0,0|1,1,0]=4 1419 B14R1.626 CCOC(=O)c1cnc(c(c1)S[13CH3])O 62a_200025704644_100010004467 [1,1,0,0,0,0|1,1,0]=4 1420 B14R1.626 CNCC(=O)c1ccc(c(c1)CO)O 34a_100102657272_100010262812 [1,1,0,0,0,0|2,0,0]=4 1421 B14R1.626 CNCC(=O)c1ccc(c(c1)CO)O 7a_106832991635_100010262812 [1,1,0,0,0,0|2,0,0]=4 1422 B14R1.626 CNCC(=O)c1ccc(c(c1)OC)O 7a_106832991635_100010206313 [1,1,0,0,0,0|2,0,0]=4 1423 B14R1.626 CNNC(=O)c1ccc(c(c1)OC)O 22a_100016993582_100000687070 [1,1,0,0,0,0|2,0,0]=4 1424 B14R1.626 COCC(=O)c1ccc(c(c1)CO)O 34a_100138415774_100010262812 [1,1,0,0,0,0|2,0,0]=4 1425 B14R1.626 COc1cc(ccc1O)C(=O)CCF 1458a_100000687070_100011217306 [1,1,0,0,0,0|2,0,0]=4 1426 B14R1.626 COc1cc(ccc1O)C(=O)CCO 1458a_100000687070_100000211926 [1,1,0,0,0,0|2,0,0]=4 1427 B14R1.626 COc1cc(ccc1O)C(=O)CSC 62a_100010206313_200000210301 [1,1,0,0,0,0|2,0,0]=4 1428 B14R1.626 COc1cc(ccc1O)C(=O)CS[13CH3] 62a_100010206313_200025704644 [1,1,0,0,0,0|2,0,0]=4 1429 B14R1.626 CSCC(=O)c1ccc(c(c1)CO)O 62a_100010262812_200000210301 [1,1,0,0,0,0|2,0,0]=4 1430 B14R1.626 CSCC(=O)c1ccc(c(c1)CO)O 62a_200000210301_100010262812 [1,1,0,0,0,0|2,0,0]=4 1431 B14R1.626 [13CH3]SCC(=O)c1ccc(c(c1)CO)O 62a_100010262812_200025704644 [1,1,0,0,0,0|2,0,0]=4 1432 B14R1.626 [13CH3]SCC(=O)c1ccc(c(c1)CO)O 62a_200025704644_100010262812 [1,1,0,0,0,0|2,0,0]=4 1433 B14R1.628 C=Cc1ccc(cc1Br)C(=O)OCC 271570a_100011290941_100011294787 [1,1,0,0,0,0|2,0,0]=4 1434 B14R1.628 C=Cc1ccc(cc1C)C(=O)OCC 271570a_100011290941_100012229600 [1,1,0,0,0,0|2,0,0]=4 1435 B14R1.628 C=Cc1ccc(cc1Cl)C(=O)OCC 271570a_100011290941_200012351148 [1,1,0,0,0,0|2,0,0]=4 1436 B14R1.628 C=Cc1ccc(cc1F)C(=O)OCC 271570a_100011290941_100011533738 [1,1,0,0,0,0|2,0,0]=4 1437 B14R1.628 C=Cc1ccc(cc1N)C(=O)OCC 271570a_100011290941_200011450955 [1,1,0,0,0,0|2,0,0]=4 1438 B14R1.628 C=Cc1ccc(cc1O)C(=O)OCC 271570a_100011290941_100012355281 [1,1,0,0,0,0|1,0,0]=3 1439 B14R1.628 C=Cc1ccc(nc1O)C(=O)OCC 271570a_100011290941_100010189761 [1,1,0,0,0,0|2,0,0]=4 1440 B14R1.628 C=Cc1ncc(cc1O)C(=O)OCC 271570a_100011290941_100010179890 [1,1,0,0,0,0|2,0,0]=4 1441 B14R1.628 CCCC(=O)c1ccc(c(c1)Br)OC 1458a_100000187947_100000210303 [1,1,0,0,0,0|2,0,0]=4 1442 B14R1.628 CCCC(=O)c1ccc(c(c1)C)OC 1458a_100011202886_100000210303 [1,1,0,0,0,0|2,0,0]=4 1443 B14R1.628 CCCC(=O)c1ccc(c(c1)Cl)OC 1458a_100000188346_100000210303 [1,1,0,0,0,0|2,0,0]=4 1444 B14R1.628 CCCC(=O)c1ccc(c(c1)F)CO 1458a_100000687192_100000210303 [1,1,0,0,0,0|2,0,0]=4 1445 B14R1.628 CCCC(=O)c1ccc(c(c1)F)OC 1458a_100000186160_100000210303 [1,1,0,0,0,0|2,0,0]=4 1446 B14R1.628 CCCC(=O)c1ccc(c(c1)I)OC 1458a_100000188716_100000210303 [1,1,0,0,0,0|2,0,0]=4 1447 B14R1.628 CCCC(=O)c1ccc(c(c1)O)CC 1458a_100000089006_100000210303 [1,1,0,0,0,0|2,0,0]=4 1448 B14R1.628 CCCC(=O)c1ccc(c(c1)O)OC 1458a_100000766810_100000210303 [1,1,0,0,0,0|1,0,0]=3 1449 B14R1.628 CCNC(=O)c1ccc(c(c1)Br)OC 11a_100015525214_100000187947 [1,1,0,0,0,0|2,0,0]=4 1450 B14R1.628 CCNC(=O)c1ccc(c(c1)Br)OC 240690a_100015525214_100000187947 [1,1,0,0,0,0|2,0,0]=4 1451 B14R1.628 CCNC(=O)c1ccc(c(c1)Br)OC 527a_100015525214_100000187947 [1,1,0,0,0,0|2,0,0]=4 1452 B14R1.628 CCNC(=O)c1ccc(c(c1)C)OC 11a_100015525214_100011202886 [1,1,0,0,0,0|2,0,0]=4 1453 B14R1.628 CCNC(=O)c1ccc(c(c1)C)OC 240690a_100015525214_100011202886 [1,1,0,0,0,0|2,0,0]=4 1454 B14R1.628 CCNC(=O)c1ccc(c(c1)C)OC 527a_100015525214_100011202886 [1,1,0,0,0,0|2,0,0]=4 1455 B14R1.628 CCNC(=O)c1ccc(c(c1)Cl)OC 11a_100015525214_100000188346 [1,1,0,0,0,0|2,0,0]=4 1456 B14R1.628 CCNC(=O)c1ccc(c(c1)Cl)OC 240690a_100015525214_100000188346 [1,1,0,0,0,0|2,0,0]=4 1457 B14R1.628 CCNC(=O)c1ccc(c(c1)Cl)OC 527a_100015525214_100000188346 [1,1,0,0,0,0|2,0,0]=4 1458 B14R1.628 CCNC(=O)c1ccc(c(c1)F)CO 240690a_100015525214_100000687192 [1,1,0,0,0,0|2,0,0]=4 1459 B14R1.628 CCNC(=O)c1ccc(c(c1)F)OC 11a_100015525214_100000186160 [1,1,0,0,0,0|2,0,0]=4 1460 B14R1.628 CCNC(=O)c1ccc(c(c1)F)OC 240690a_100015525214_100000186160 [1,1,0,0,0,0|2,0,0]=4 1461 B14R1.628 CCNC(=O)c1ccc(c(c1)F)OC 527a_100015525214_100000186160 [1,1,0,0,0,0|2,0,0]=4 1462 B14R1.628 CCNC(=O)c1ccc(c(c1)I)OC 11a_100015525214_100000188716 [1,1,0,0,0,0|2,0,0]=4 1463 B14R1.628 CCNC(=O)c1ccc(c(c1)I)OC 240690a_100015525214_100000188716 [1,1,0,0,0,0|2,0,0]=4 1464 B14R1.628 CCNC(=O)c1ccc(c(c1)I)OC 527a_100015525214_100000188716 [1,1,0,0,0,0|2,0,0]=4 1465 B14R1.628 CCNC(=O)c1ccc(c(c1)O)CC 240690a_100015525214_100000089006 [1,1,0,0,0,0|2,0,0]=4 1466 B14R1.628 CCNC(=O)c1ccc(c(c1)O)CC 527a_100015525214_100000089006 [1,1,0,0,0,0|2,0,0]=4 1467 B14R1.628 CCNC(=O)c1ccc(c(c1)O)OC 240690a_100015525214_100000766810 [1,1,0,0,0,0|1,0,0]=3 1468 B14R1.628 CCNC(=O)c1ccc(c(c1)O)OC 527a_100015525214_100000766810 [1,1,0,0,0,0|1,0,0]=3 1469 B14R1.628 CCOC(=O)c1ccc(c(c1)Br)OC 7a_100009812659_200000210301 [1,1,0,0,0,0|1,0,0]=3 1470 B14R1.628 CCOC(=O)c1ccc(c(c1)Br)O[13CH3] 7a_100009812659_200025704644 [1,1,0,0,0,0|1,0,0]=3 1471 B14R1.628 CCOC(=O)c1ccc(c(c1)Br)SC 62a_100011294787_200000210301 [1,1,0,0,0,0|1,1,0]=4 1472 B14R1.628 CCOC(=O)c1ccc(c(c1)Br)SC 62a_200000210301_100011294787 [1,1,0,0,0,0|1,1,0]=4 1473 B14R1.628 CCOC(=O)c1ccc(c(c1)Br)S[13CH3] 62a_100011294787_200025704644 [1,1,0,0,0,0|1,1,0]=4 1474 B14R1.628 CCOC(=O)c1ccc(c(c1)Br)S[13CH3] 62a_200025704644_100011294787 [1,1,0,0,0,0|1,1,0]=4 1475 B14R1.628 CCOC(=O)c1ccc(c(c1)C)SC 62a_100012229600_200000210301 [1,1,0,0,0,0|1,1,0]=4 1476 B14R1.628 CCOC(=O)c1ccc(c(c1)C)SC 62a_200000210301_100012229600 [1,1,0,0,0,0|1,1,0]=4 1477 B14R1.628 CCOC(=O)c1ccc(c(c1)C)S[13CH3] 62a_100012229600_200025704644 [1,1,0,0,0,0|1,1,0]=4 1478 B14R1.628 CCOC(=O)c1ccc(c(c1)C)S[13CH3] 62a_200025704644_100012229600 [1,1,0,0,0,0|1,1,0]=4 1479 B14R1.628 CCOC(=O)c1ccc(c(c1)Cl)SC 62a_200000210301_200012351148 [1,1,0,0,0,0|1,1,0]=4 1480 B14R1.628 CCOC(=O)c1ccc(c(c1)Cl)SC 62a_200012351148_200000210301 [1,1,0,0,0,0|1,1,0]=4 1481 B14R1.628 CCOC(=O)c1ccc(c(c1)Cl)S[13CH3] 62a_200012351148_200025704644 [1,1,0,0,0,0|1,1,0]=4 1482 B14R1.628 CCOC(=O)c1ccc(c(c1)Cl)S[13CH3] 62a_200025704644_200012351148 [1,1,0,0,0,0|1,1,0]=4 1483 B14R1.628 CCOC(=O)c1ccc(c(c1)F)OC 34a_200000082637_200000210301 [1,1,0,0,0,0|1,0,0]=3 1484 B14R1.628 CCOC(=O)c1ccc(c(c1)F)OC 7a_200000082637_200000210301 [1,1,0,0,0,0|1,0,0]=3 1485 B14R1.628 CCOC(=O)c1ccc(c(c1)F)O[13CH3] 34a_200000082637_200025704644 [1,1,0,0,0,0|1,0,0]=3 1486 B14R1.628 CCOC(=O)c1ccc(c(c1)F)O[13CH3] 7a_200000082637_200025704644 [1,1,0,0,0,0|1,0,0]=3 1487 B14R1.628 CCOC(=O)c1ccc(c(c1)F)SC 62a_100011533738_200000210301 [1,1,0,0,0,0|1,1,0]=4 1488 B14R1.628 CCOC(=O)c1ccc(c(c1)F)SC 62a_200000210301_100011533738 [1,1,0,0,0,0|1,1,0]=4 1489 B14R1.628 CCOC(=O)c1ccc(c(c1)F)S[13CH3] 62a_100011533738_200025704644 [1,1,0,0,0,0|1,1,0]=4 1490 B14R1.628 CCOC(=O)c1ccc(c(c1)F)S[13CH3] 62a_200025704644_100011533738 [1,1,0,0,0,0|1,1,0]=4 1491 B14R1.628 CCOC(=O)c1ccc(c(c1)I)OC 7a_200010236255_200000210301 [1,1,0,0,0,0|1,0,0]=3 1492 B14R1.628 CCOC(=O)c1ccc(c(c1)I)O[13CH3] 7a_200010236255_200025704644 [1,1,0,0,0,0|1,0,0]=3 1493 B14R1.628 CCOC(=O)c1ccc(c(c1)N)OC 7a_100011450745_200000210301 [1,1,0,0,0,0|1,0,0]=3 1494 B14R1.628 CCOC(=O)c1ccc(c(c1)N)O[13CH3] 7a_100011450745_200025704644 [1,1,0,0,0,0|1,0,0]=3 1495 B14R1.628 CCOC(=O)c1ccc(c(c1)N)SC 62a_200000210301_200011450955 [1,1,0,0,0,0|1,1,0]=4 1496 B14R1.628 CCOC(=O)c1ccc(c(c1)N)SC 62a_200011450955_200000210301 [1,1,0,0,0,0|1,1,0]=4 1497 B14R1.628 CCOC(=O)c1ccc(c(c1)N)S[13CH3] 62a_200011450955_200025704644 [1,1,0,0,0,0|1,1,0]=4 1498 B14R1.628 CCOC(=O)c1ccc(c(c1)N)S[13CH3] 62a_200025704644_200011450955 [1,1,0,0,0,0|1,1,0]=4 1499 B14R1.628 CCOC(=O)c1ccc(c(c1)O)C#N 271570a_203496583355_100010172520 [1,1,0,0,0,0|1,0,0]=3 1500 B14R1.628 CCOC(=O)c1ccc(c(c1)O)C=O 271570a_203496583355_100010291780 [1,1,0,0,0,0|0,0,1]=3 1501 B14R1.628 CCOC(=O)c1ccc(c(c1)O)CC 271570a_203496583355_200012360145 [1,1,0,0,0,0|1,0,0]=3 1502 B14R1.628 CCOC(=O)c1ccc(c(c1)O)OC 271570a_203496583355_100012360133 [1,1,0,0,0,0|0,0,0]=2 1503 B14R1.628 CCOC(=O)c1ccc(c(c1)O)SC 62a_200000210301_100012355281 [1,1,0,0,0,0|0,1,0]=3 1504 B14R1.628 CCOC(=O)c1ccc(c(c1)O)S[13CH3] 62a_200025704644_100012355281 [1,1,0,0,0,0|0,1,0]=3 1505 B14R1.628 CCOC(=O)c1cnc(c(c1)C)OC 7a_100010269686_200000210301 [1,1,0,0,0,0|2,0,0]=4 1506 B14R1.628 CCOC(=O)c1cnc(c(c1)C)O[13CH3] 7a_100010269686_200025704644 [1,1,0,0,0,0|2,0,0]=4 1507 B14R1.628 CCOC(=O)c1cnc(c(c1)O)SC 62a_200000210301_100010179890 [1,1,0,0,0,0|1,1,0]=4 1508 B14R1.628 CCOC(=O)c1cnc(c(c1)O)S[13CH3] 62a_200025704644_100010179890 [1,1,0,0,0,0|1,1,0]=4 1509 B14R1.628 CNNC(=O)c1ccc(c(c1)O)OC 22a_100016993582_100000766810 [1,1,0,0,0,0|2,0,0]=4 1510 B14R1.628 COc1ccc(cc1O)C(=O)CCF 1458a_100000766810_100011217306 [1,1,0,0,0,0|2,0,0]=4 1511 B14R1.628 COc1ccc(cc1O)C(=O)CCO 1458a_100000766810_100000211926 [1,1,0,0,0,0|2,0,0]=4 1512 B14R1.685 C=C(C)CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000748629 [1,1,0,0,0,0|1,0,1]=4 1513 B14R1.685 CC(=O)CC(=O)c1ccc(c(c1)O)O 1458a_100000070787_100000183813 [1,1,0,0,0,0|1,0,1]=4 1514 B14R1.685 CC(C)CC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100000210624 [1,1,0,0,0,0|2,0,0]=4 1515 B14R1.685 CC(C)CC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100000210624 [1,1,0,0,0,0|2,0,0]=4 1516 B14R1.685 CC(C)CC(=O)c1ccc(c(c1)F)O 1458a_100000185466_100000210624 [1,1,0,0,0,0|2,0,0]=4 1517 B14R1.685 CC(C)CC(=O)c1ccc(c(c1)I)O 1458a_100000037485_100000210624 [1,1,0,0,0,0|2,0,0]=4 1518 B14R1.685 CC(C)CC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_100000210624 [1,1,0,0,0,0|2,0,0]=4 1519 B14R1.685 CC(C)CC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_100000210624 [1,1,0,0,0,0|2,0,0]=4 1520 B14R1.685 CC(C)CC(=O)c1ccc(c(c1)O)F 1458a_100000035894_100000210624 [1,1,0,0,0,0|2,0,0]=4 1521 B14R1.685 CC(C)CC(=O)c1ccc(c(c1)O)I 1458a_100000239334_100000210624 [1,1,0,0,0,0|2,0,0]=4 1522 B14R1.685 CC(C)CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000210624 [1,1,0,0,0,0|1,0,0]=3 1523 B14R1.685 CC(C)NC(=O)c1ccc(c(c1)Br)O 240690a_100138425928_100000189672 [1,1,0,0,0,0|2,0,0]=4 1524 B14R1.685 CC(C)NC(=O)c1ccc(c(c1)Cl)O 240690a_100138425928_100000212196 [1,1,0,0,0,0|2,0,0]=4 1525 B14R1.685 CC(C)NC(=O)c1ccc(c(c1)Cl)O 527a_100138425928_100000212196 [1,1,0,0,0,0|2,0,0]=4 1526 B14R1.685 CC(C)NC(=O)c1ccc(c(c1)F)O 240690a_100138425928_100000185466 [1,1,0,0,0,0|2,0,0]=4 1527 B14R1.685 CC(C)NC(=O)c1ccc(c(c1)F)O 527a_100138425928_100000185466 [1,1,0,0,0,0|2,0,0]=4 1528 B14R1.685 CC(C)NC(=O)c1ccc(c(c1)I)O 1626a_100138425928_100000037485 [1,1,0,0,0,0|2,0,0]=4 1529 B14R1.685 CC(C)NC(=O)c1ccc(c(c1)I)O 240690a_100138425928_100000037485 [1,1,0,0,0,0|2,0,0]=4 1530 B14R1.685 CC(C)NC(=O)c1ccc(c(c1)O)Br 240690a_100138425928_100000689001 [1,1,0,0,0,0|2,0,0]=4 1531 B14R1.685 CC(C)NC(=O)c1ccc(c(c1)O)Br 527a_100138425928_100000689001 [1,1,0,0,0,0|2,0,0]=4 1532 B14R1.685 CC(C)NC(=O)c1ccc(c(c1)O)Cl 240690a_100138425928_100011933997 [1,1,0,0,0,0|2,0,0]=4 1533 B14R1.685 CC(C)NC(=O)c1ccc(c(c1)O)Cl 527a_100138425928_100011933997 [1,1,0,0,0,0|2,0,0]=4 1534 B14R1.685 CC(C)NC(=O)c1ccc(c(c1)O)F 240690a_100138425928_100000035894 [1,1,0,0,0,0|2,0,0]=4 1535 B14R1.685 CC(C)NC(=O)c1ccc(c(c1)O)F 271570a_203496583355_200012359899 [1,1,0,0,0,0|2,0,0]=4 1536 B14R1.685 CC(C)NC(=O)c1ccc(c(c1)O)F 527a_100138425928_100000035894 [1,1,0,0,0,0|2,0,0]=4 1537 B14R1.685 CC(C)NC(=O)c1ccc(c(c1)O)I 1626a_100138425928_100000239334 [1,1,0,0,0,0|2,0,0]=4 1538 B14R1.685 CC(C)NC(=O)c1ccc(c(c1)O)I 240690a_100138425928_100000239334 [1,1,0,0,0,0|2,0,0]=4 1539 B14R1.685 CC(C)NC(=O)c1ccc(c(c1)O)I 527a_100138425928_100000239334 [1,1,0,0,0,0|2,0,0]=4 1540 B14R1.685 CC(O)CC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100011218427 [1,1,0,0,0,0|2,0,0]=4 1541 B14R1.685 CC(O)CC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100011218427 [1,1,0,0,0,0|2,0,0]=4 1542 B14R1.685 CC(O)CC(=O)c1ccc(c(c1)F)O 1458a_100000185466_100011218427 [1,1,0,0,0,0|2,0,0]=4 1543 B14R1.685 CC(O)CC(=O)c1ccc(c(c1)I)O 1458a_100000037485_100011218427 [1,1,0,0,0,0|2,0,0]=4 1544 B14R1.685 CC(O)CC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_100011218427 [1,1,0,0,0,0|2,0,0]=4 1545 B14R1.685 CC(O)CC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_100011218427 [1,1,0,0,0,0|2,0,0]=4 1546 B14R1.685 CC(O)CC(=O)c1ccc(c(c1)O)F 1458a_100000035894_100011218427 [1,1,0,0,0,0|2,0,0]=4 1547 B14R1.685 CC(O)CC(=O)c1ccc(c(c1)O)I 1458a_100000239334_100011218427 [1,1,0,0,0,0|2,0,0]=4 1548 B14R1.685 CC(O)CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100011218427 [1,1,0,0,0,0|1,0,0]=3 1549 B14R1.685 CN(C)CC(=O)c1ccc(c(c1)O)O 269982a_100102631434_100000183813 [1,1,0,0,0,0|2,0,0]=4 1550 B14R1.685 Cc1cc(ccc1O)C(=O)CC(C)C 1458a_100000685612_100000210624 [1,1,0,0,0,0|2,0,0]=4 1551 B14R1.685 Cc1cc(ccc1O)C(=O)CC(C)O 1458a_100000685612_100011218427 [1,1,0,0,0,0|2,0,0]=4 1552 B14R1.685 Cc1cc(ccc1O)C(=O)NC(C)C 240690a_100138425928_100000685612 [1,1,0,0,0,0|2,0,0]=4 1553 B14R1.685 Cc1cc(ccc1O)C(=O)NC(C)C 271570a_203496583355_200012357427 [1,1,0,0,0,0|2,0,0]=4 1554 B14R1.685 Cc1cc(ccc1O)C(=O)OC(C)C 271570a_203496583355_200013068747 [1,1,0,0,0,0|1,0,0]=3 1555 B14R1.685 Cc1ccc(cc1O)C(=O)CC(C)C 1458a_100000233767_100000210624 [1,1,0,0,0,0|2,0,0]=4 1556 B14R1.685 Cc1ccc(cc1O)C(=O)CC(C)O 1458a_100000233767_100011218427 [1,1,0,0,0,0|2,0,0]=4 1557 B14R1.685 Cc1ccc(cc1O)C(=O)NC(C)C 240690a_100138425928_100000233767 [1,1,0,0,0,0|2,0,0]=4 1558 B14R1.685 O=C(CC(F)F)c1ccc(c(c1)O)O 1458a_100000212155_100011934356 [1,1,0,0,0,0|2,0,0]=4 1559 B14R1.941 C#CCCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000753159 [1,1,0,0,0,0|1,0,1]=4 1560 B14R1.941 C/C=C/CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100102629194 [1,1,0,0,0,0|1,0,1]=4 1561 B14R1.941 C=CCCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000754431 [1,1,0,0,0,0|1,0,1]=4 1562 B14R1.941 CC#CCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000748600 [1,1,0,0,0,0|1,0,1]=4 1563 B14R1.941 CC=CCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000070051 [1,1,0,0,0,0|1,0,1]=4 1564 B14R1.941 CCCCC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100000210211 [1,1,0,0,0,0|2,0,0]=4 1565 B14R1.941 CCCCC(=O)c1ccc(c(c1)C)O 1458a_100000685612_100000210211 [1,1,0,0,0,0|2,0,0]=4 1566 B14R1.941 CCCCC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100000210211 [1,1,0,0,0,0|2,0,0]=4 1567 B14R1.941 CCCCC(=O)c1ccc(c(c1)F)O 1458a_100000185466_100000210211 [1,1,0,0,0,0|2,0,0]=4 1568 B14R1.941 CCCCC(=O)c1ccc(c(c1)I)O 1458a_100000037485_100000210211 [1,1,0,0,0,0|2,0,0]=4 1569 B14R1.941 CCCCC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_100000210211 [1,1,0,0,0,0|2,0,0]=4 1570 B14R1.941 CCCCC(=O)c1ccc(c(c1)O)C 1458a_100000233767_100000210211 [1,1,0,0,0,0|2,0,0]=4 1571 B14R1.941 CCCCC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_100000210211 [1,1,0,0,0,0|2,0,0]=4 1572 B14R1.941 CCCCC(=O)c1ccc(c(c1)O)F 1458a_100000035894_100000210211 [1,1,0,0,0,0|2,0,0]=4 1573 B14R1.941 CCCCC(=O)c1ccc(c(c1)O)I 1458a_100000239334_100000210211 [1,1,0,0,0,0|2,0,0]=4 1574 B14R1.941 CCCCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000210211 [1,1,0,0,0,0|1,0,0]=3 1575 B14R1.941 CCCNC(=O)c1ccc(c(c1)Br)O 240690a_100020643023_100000189672 [1,1,0,0,0,0|2,0,0]=4 1576 B14R1.941 CCCNC(=O)c1ccc(c(c1)C)O 240690a_100020643023_100000685612 [1,1,0,0,0,0|2,0,0]=4 1577 B14R1.941 CCCNC(=O)c1ccc(c(c1)C)O 271570a_203496583355_200012357430 [1,1,0,0,0,0|2,0,0]=4 1578 B14R1.941 CCCNC(=O)c1ccc(c(c1)Cl)O 240690a_100020643023_100000212196 [1,1,0,0,0,0|2,0,0]=4 1579 B14R1.941 CCCNC(=O)c1ccc(c(c1)Cl)O 527a_100020643023_100000212196 [1,1,0,0,0,0|2,0,0]=4 1580 B14R1.941 CCCNC(=O)c1ccc(c(c1)F)O 240690a_100020643023_100000185466 [1,1,0,0,0,0|2,0,0]=4 1581 B14R1.941 CCCNC(=O)c1ccc(c(c1)F)O 527a_100020643023_100000185466 [1,1,0,0,0,0|2,0,0]=4 1582 B14R1.941 CCCNC(=O)c1ccc(c(c1)I)O 1626a_100020643023_100000037485 [1,1,0,0,0,0|2,0,0]=4 1583 B14R1.941 CCCNC(=O)c1ccc(c(c1)I)O 240690a_100020643023_100000037485 [1,1,0,0,0,0|2,0,0]=4 1584 B14R1.941 CCCNC(=O)c1ccc(c(c1)O)Br 240690a_100020643023_100000689001 [1,1,0,0,0,0|2,0,0]=4 1585 B14R1.941 CCCNC(=O)c1ccc(c(c1)O)Br 527a_100020643023_100000689001 [1,1,0,0,0,0|2,0,0]=4 1586 B14R1.941 CCCNC(=O)c1ccc(c(c1)O)C 240690a_100020643023_100000233767 [1,1,0,0,0,0|2,0,0]=4 1587 B14R1.941 CCCNC(=O)c1ccc(c(c1)O)Cl 240690a_100020643023_100011933997 [1,1,0,0,0,0|2,0,0]=4 1588 B14R1.941 CCCNC(=O)c1ccc(c(c1)O)Cl 527a_100020643023_100011933997 [1,1,0,0,0,0|2,0,0]=4 1589 B14R1.941 CCCNC(=O)c1ccc(c(c1)O)F 240690a_100020643023_100000035894 [1,1,0,0,0,0|2,0,0]=4 1590 B14R1.941 CCCNC(=O)c1ccc(c(c1)O)F 271570a_203496583355_200012359901 [1,1,0,0,0,0|2,0,0]=4 1591 B14R1.941 CCCNC(=O)c1ccc(c(c1)O)F 527a_100020643023_100000035894 [1,1,0,0,0,0|2,0,0]=4 1592 B14R1.941 CCCNC(=O)c1ccc(c(c1)O)I 1626a_100020643023_100000239334 [1,1,0,0,0,0|2,0,0]=4 1593 B14R1.941 CCCNC(=O)c1ccc(c(c1)O)I 240690a_100020643023_100000239334 [1,1,0,0,0,0|2,0,0]=4 1594 B14R1.941 CCCNC(=O)c1ccc(c(c1)O)I 527a_100020643023_100000239334 [1,1,0,0,0,0|2,0,0]=4 1595 B14R1.941 CCCOC(=O)c1ccc(c(c1)C)O 271570a_203496583355_200013322381 [1,1,0,0,0,0|1,0,0]=3 1596 B14R1.941 CCNN=C(C)c1ccc(c(c1)O)O 4a_100000756455_100000025746 [1,1,0,0,0,0|2,0,0]=4 1597 B14R1.941 CCNNC(=O)c1ccc(c(c1)Br)O 22a_100000756455_100000189672 [1,1,0,0,0,0|2,0,0]=4 1598 B14R1.941 CCNNC(=O)c1ccc(c(c1)C)O 22a_100000756455_100000685612 [1,1,0,0,0,0|2,0,0]=4 1599 B14R1.941 CCNNC(=O)c1ccc(c(c1)Cl)O 22a_100000756455_100000212196 [1,1,0,0,0,0|2,0,0]=4 1600 B14R1.941 CCNNC(=O)c1ccc(c(c1)F)O 22a_100000756455_100000185466 [1,1,0,0,0,0|2,0,0]=4 1601 B14R1.941 CCNNC(=O)c1ccc(c(c1)I)O 22a_100000756455_100000037485 [1,1,0,0,0,0|2,0,0]=4 1602 B14R1.941 CCNNC(=O)c1ccc(c(c1)O)Br 22a_100000756455_100000689001 [1,1,0,0,0,0|2,0,0]=4 1603 B14R1.941 CCNNC(=O)c1ccc(c(c1)O)C 22a_100000756455_100000233767 [1,1,0,0,0,0|2,0,0]=4 1604 B14R1.941 CCNNC(=O)c1ccc(c(c1)O)Cl 22a_100000756455_100011933997 [1,1,0,0,0,0|2,0,0]=4 1605 B14R1.941 CCNNC(=O)c1ccc(c(c1)O)F 22a_100000756455_100000035894 [1,1,0,0,0,0|2,0,0]=4 1606 B14R1.941 CCNNC(=O)c1ccc(c(c1)O)I 22a_100000756455_100000239334 [1,1,0,0,0,0|2,0,0]=4 1607 B14R1.941 CCOCC(=O)c1ccc(c(c1)Br)C 34a_100121572206_100012346676 [1,1,0,0,0,0|2,0,0]=4 1608 B14R1.941 CCOCC(=O)c1ccc(c(c1)Br)F 34a_100121572206_100011217175 [1,1,0,0,0,0|2,0,0]=4 1609 B14R1.941 CCOCC(=O)c1ccc(c(c1)Cl)Br 34a_100121572206_200012349649 [1,1,0,0,0,0|2,0,0]=4 1610 B14R1.941 CCOCC(=O)c1ccc(c(c1)Cl)Cl 7a_100000246375_100000210202 [1,1,0,0,0,0|2,0,0]=4 1611 B14R1.941 CCOCC(=O)c1ccc(c(c1)Cl)F 34a_100121572206_100000757878 [1,1,0,0,0,0|2,0,0]=4 1612 B14R1.941 CCOCC(=O)c1ccc(c(c1)F)Br 34a_100121572206_100012361357 [1,1,0,0,0,0|2,0,0]=4 1613 B14R1.941 CCOCC(=O)c1ccc(c(c1)F)C 34a_100121572206_100011219196 [1,1,0,0,0,0|2,0,0]=4 1614 B14R1.941 CCOCC(=O)c1ccc(c(c1)F)Cl 34a_100121572206_100012351892 [1,1,0,0,0,0|2,0,0]=4 1615 B14R1.941 CCOCC(=O)c1ccc(c(c1)F)F 34a_100121572206_100000183380 [1,1,0,0,0,0|2,0,0]=4 1616 B14R1.941 CCSCC(=O)c1ccc(c(c1)Cl)O 62a_100000210202_200010170092 [1,1,0,0,0,0|1,1,0]=4 1617 B14R1.941 CCSCC(=O)c1ccc(c(c1)Cl)O 62a_200010170092_100000210202 [1,1,0,0,0,0|1,1,0]=4 1618 B14R1.941 CCSCC(=O)c1ccc(c(c1)O)O 62a_100000210202_100000183813 [1,1,0,0,0,0|0,1,0]=3 1619 B14R1.941 COCCC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100000233755 [1,1,0,0,0,0|2,0,0]=4 1620 B14R1.941 COCCC(=O)c1ccc(c(c1)C)O 1458a_100000685612_100000233755 [1,1,0,0,0,0|2,0,0]=4 1621 B14R1.941 COCCC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100000233755 [1,1,0,0,0,0|2,0,0]=4 1622 B14R1.941 COCCC(=O)c1ccc(c(c1)F)O 1458a_100000185466_100000233755 [1,1,0,0,0,0|2,0,0]=4 1623 B14R1.941 COCCC(=O)c1ccc(c(c1)I)O 1458a_100000037485_100000233755 [1,1,0,0,0,0|2,0,0]=4 1624 B14R1.941 COCCC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_100000233755 [1,1,0,0,0,0|2,0,0]=4 1625 B14R1.941 COCCC(=O)c1ccc(c(c1)O)C 1458a_100000233767_100000233755 [1,1,0,0,0,0|2,0,0]=4 1626 B14R1.941 COCCC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_100000233755 [1,1,0,0,0,0|2,0,0]=4 1627 B14R1.941 COCCC(=O)c1ccc(c(c1)O)F 1458a_100000035894_100000233755 [1,1,0,0,0,0|2,0,0]=4 1628 B14R1.941 COCCC(=O)c1ccc(c(c1)O)I 1458a_100000239334_100000233755 [1,1,0,0,0,0|2,0,0]=4 1629 B14R1.941 COCCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000233755 [1,1,0,0,0,0|1,0,0]=3 1630 B14R1.941 CSCCC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100000751147 [1,1,0,0,0,0|2,0,0]=4 1631 B14R1.941 CSCCC(=O)c1ccc(c(c1)C)O 1458a_100000685612_100000751147 [1,1,0,0,0,0|2,0,0]=4 1632 B14R1.941 CSCCC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100000751147 [1,1,0,0,0,0|2,0,0]=4 1633 B14R1.941 CSCCC(=O)c1ccc(c(c1)F)O 1458a_100000185466_100000751147 [1,1,0,0,0,0|2,0,0]=4 1634 B14R1.941 CSCCC(=O)c1ccc(c(c1)I)O 1458a_100000037485_100000751147 [1,1,0,0,0,0|2,0,0]=4 1635 B14R1.941 CSCCC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_100000751147 [1,1,0,0,0,0|2,0,0]=4 1636 B14R1.941 CSCCC(=O)c1ccc(c(c1)O)C 1458a_100000233767_100000751147 [1,1,0,0,0,0|2,0,0]=4 1637 B14R1.941 CSCCC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_100000751147 [1,1,0,0,0,0|2,0,0]=4 1638 B14R1.941 CSCCC(=O)c1ccc(c(c1)O)F 1458a_100000035894_100000751147 [1,1,0,0,0,0|2,0,0]=4 1639 B14R1.941 CSCCC(=O)c1ccc(c(c1)O)I 1458a_100000239334_100000751147 [1,1,0,0,0,0|2,0,0]=4 1640 B14R1.941 CSCCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000751147 [1,1,0,0,0,0|1,0,0]=3 1641 B14R1.941 Cc1cc(ccc1O)C(=O)CCCF 1458a_100000685612_100011934791 [1,1,0,0,0,0|2,0,0]=4 1642 B14R1.941 Cc1cc(ccc1O)C(=O)CCCO 1458a_100000685612_100011215043 [1,1,0,0,0,0|2,0,0]=4 1643 B14R1.941 Cc1cc(ccc1O)C(=O)NCCF 240690a_100000724931_100000685612 [1,1,0,0,0,0|2,0,0]=4 1644 B14R1.941 Cc1cc(ccc1O)C(=O)NCCO 240690a_100000210304_100000685612 [1,1,0,0,0,0|2,0,0]=4 1645 B14R1.941 Cc1ccc(cc1O)C(=O)CCCF 1458a_100000233767_100011934791 [1,1,0,0,0,0|2,0,0]=4 1646 B14R1.941 Cc1ccc(cc1O)C(=O)CCCO 1458a_100000233767_100011215043 [1,1,0,0,0,0|2,0,0]=4 1647 B14R1.941 Cc1ccc(cc1O)C(=O)NCCF 240690a_100000724931_100000233767 [1,1,0,0,0,0|2,0,0]=4 1648 B14R1.941 Cc1ccc(cc1O)C(=O)NCCO 240690a_100000210304_100000233767 [1,1,0,0,0,0|2,0,0]=4 1649 B14R1.941 N#CCCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100011215226 [1,1,0,0,0,0|1,0,1]=4 1650 B14R1.941 O=C(CCCF)c1ccc(c(c1)Br)O 1458a_100000189672_100011934791 [1,1,0,0,0,0|2,0,0]=4 1651 B14R1.941 O=C(CCCF)c1ccc(c(c1)Cl)O 1458a_100000212196_100011934791 [1,1,0,0,0,0|2,0,0]=4 1652 B14R1.941 O=C(CCCF)c1ccc(c(c1)F)O 1458a_100000185466_100011934791 [1,1,0,0,0,0|2,0,0]=4 1653 B14R1.941 O=C(CCCF)c1ccc(c(c1)I)O 1458a_100000037485_100011934791 [1,1,0,0,0,0|2,0,0]=4 1654 B14R1.941 O=C(CCCF)c1ccc(c(c1)O)Br 1458a_100000689001_100011934791 [1,1,0,0,0,0|2,0,0]=4 1655 B14R1.941 O=C(CCCF)c1ccc(c(c1)O)Cl 1458a_100011933997_100011934791 [1,1,0,0,0,0|2,0,0]=4 1656 B14R1.941 O=C(CCCF)c1ccc(c(c1)O)F 1458a_100000035894_100011934791 [1,1,0,0,0,0|2,0,0]=4 1657 B14R1.941 O=C(CCCF)c1ccc(c(c1)O)I 1458a_100000239334_100011934791 [1,1,0,0,0,0|2,0,0]=4 1658 B14R1.941 O=C(CCCF)c1ccc(c(c1)O)O 1458a_100000212155_100011934791 [1,1,0,0,0,0|1,0,0]=3 1659 B14R1.941 O=C(CCCO)c1ccc(c(c1)Br)O 1458a_100000189672_100011215043 [1,1,0,0,0,0|2,0,0]=4 1660 B14R1.941 O=C(CCCO)c1ccc(c(c1)Cl)O 1458a_100000212196_100011215043 [1,1,0,0,0,0|2,0,0]=4 1661 B14R1.941 O=C(CCCO)c1ccc(c(c1)F)O 1458a_100000185466_100011215043 [1,1,0,0,0,0|2,0,0]=4 1662 B14R1.941 O=C(CCCO)c1ccc(c(c1)I)O 1458a_100000037485_100011215043 [1,1,0,0,0,0|2,0,0]=4 1663 B14R1.941 O=C(CCCO)c1ccc(c(c1)O)Br 1458a_100000689001_100011215043 [1,1,0,0,0,0|2,0,0]=4 1664 B14R1.941 O=C(CCCO)c1ccc(c(c1)O)Cl 1458a_100011933997_100011215043 [1,1,0,0,0,0|2,0,0]=4 1665 B14R1.941 O=C(CCCO)c1ccc(c(c1)O)F 1458a_100000035894_100011215043 [1,1,0,0,0,0|2,0,0]=4 1666 B14R1.941 O=C(CCCO)c1ccc(c(c1)O)I 1458a_100000239334_100011215043 [1,1,0,0,0,0|2,0,0]=4 1667 B14R1.941 O=C(CCCO)c1ccc(c(c1)O)O 1458a_100000212155_100011215043 [1,1,0,0,0,0|1,0,0]=3 1668 B14R1.941 O=C(CSCF)c1ccc(c(c1)O)O 62a_100015361967_100000183813 [1,1,0,0,0,0|1,1,0]=4 1669 B14R1.941 O=C(NCCF)c1ccc(c(c1)Br)O 240690a_100000724931_100000189672 [1,1,0,0,0,0|2,0,0]=4 1670 B14R1.941 O=C(NCCF)c1ccc(c(c1)Cl)O 240690a_100000724931_100000212196 [1,1,0,0,0,0|2,0,0]=4 1671 B14R1.941 O=C(NCCF)c1ccc(c(c1)Cl)O 527a_100000724931_100000212196 [1,1,0,0,0,0|2,0,0]=4 1672 B14R1.941 O=C(NCCF)c1ccc(c(c1)F)O 240690a_100000724931_100000185466 [1,1,0,0,0,0|2,0,0]=4 1673 B14R1.941 O=C(NCCF)c1ccc(c(c1)F)O 527a_100000724931_100000185466 [1,1,0,0,0,0|2,0,0]=4 1674 B14R1.941 O=C(NCCF)c1ccc(c(c1)I)O 1626a_100000724931_100000037485 [1,1,0,0,0,0|2,0,0]=4 1675 B14R1.941 O=C(NCCF)c1ccc(c(c1)I)O 240690a_100000724931_100000037485 [1,1,0,0,0,0|2,0,0]=4 1676 B14R1.941 O=C(NCCF)c1ccc(c(c1)O)Br 240690a_100000724931_100000689001 [1,1,0,0,0,0|2,0,0]=4 1677 B14R1.941 O=C(NCCF)c1ccc(c(c1)O)Br 527a_100000724931_100000689001 [1,1,0,0,0,0|2,0,0]=4 1678 B14R1.941 O=C(NCCF)c1ccc(c(c1)O)Cl 240690a_100000724931_100011933997 [1,1,0,0,0,0|2,0,0]=4 1679 B14R1.941 O=C(NCCF)c1ccc(c(c1)O)Cl 527a_100000724931_100011933997 [1,1,0,0,0,0|2,0,0]=4 1680 B14R1.941 O=C(NCCF)c1ccc(c(c1)O)F 240690a_100000724931_100000035894 [1,1,0,0,0,0|2,0,0]=4 1681 B14R1.941 O=C(NCCF)c1ccc(c(c1)O)F 527a_100000724931_100000035894 [1,1,0,0,0,0|2,0,0]=4 1682 B14R1.941 O=C(NCCF)c1ccc(c(c1)O)I 1626a_100000724931_100000239334 [1,1,0,0,0,0|2,0,0]=4 1683 B14R1.941 O=C(NCCF)c1ccc(c(c1)O)I 240690a_100000724931_100000239334 [1,1,0,0,0,0|2,0,0]=4 1684 B14R1.941 O=C(NCCF)c1ccc(c(c1)O)I 527a_100000724931_100000239334 [1,1,0,0,0,0|2,0,0]=4 1685 B14R1.941 O=C(NCCO)c1ccc(c(c1)Br)O 240690a_100000210304_100000189672 [1,1,0,0,0,0|2,0,0]=4 1686 B14R1.941 O=C(NCCO)c1ccc(c(c1)Cl)O 240690a_100000210304_100000212196 [1,1,0,0,0,0|2,0,0]=4 1687 B14R1.941 O=C(NCCO)c1ccc(c(c1)Cl)O 527a_100000210304_100000212196 [1,1,0,0,0,0|2,0,0]=4 1688 B14R1.941 O=C(NCCO)c1ccc(c(c1)F)O 240690a_100000210304_100000185466 [1,1,0,0,0,0|2,0,0]=4 1689 B14R1.941 O=C(NCCO)c1ccc(c(c1)F)O 527a_100000210304_100000185466 [1,1,0,0,0,0|2,0,0]=4 1690 B14R1.941 O=C(NCCO)c1ccc(c(c1)I)O 240690a_100000210304_100000037485 [1,1,0,0,0,0|2,0,0]=4 1691 B14R1.941 O=C(NCCO)c1ccc(c(c1)O)Br 240690a_100000210304_100000689001 [1,1,0,0,0,0|2,0,0]=4 1692 B14R1.941 O=C(NCCO)c1ccc(c(c1)O)Br 527a_100000210304_100000689001 [1,1,0,0,0,0|2,0,0]=4 1693 B14R1.941 O=C(NCCO)c1ccc(c(c1)O)Cl 240690a_100000210304_100011933997 [1,1,0,0,0,0|2,0,0]=4 1694 B14R1.941 O=C(NCCO)c1ccc(c(c1)O)Cl 527a_100000210304_100011933997 [1,1,0,0,0,0|2,0,0]=4 1695 B14R1.941 O=C(NCCO)c1ccc(c(c1)O)F 240690a_100000210304_100000035894 [1,1,0,0,0,0|2,0,0]=4 1696 B14R1.941 O=C(NCCO)c1ccc(c(c1)O)F 527a_100000210304_100000035894 [1,1,0,0,0,0|2,0,0]=4 1697 B14R1.941 O=C(NCCO)c1ccc(c(c1)O)I 240690a_100000210304_100000239334 [1,1,0,0,0,0|2,0,0]=4 1698 B14R1.941 O=C(NCCO)c1ccc(c(c1)O)I 527a_100000210304_100000239334 [1,1,0,0,0,0|2,0,0]=4 1699 B14R1.1003 CCC(C)C(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100000758301 [1,1,0,0,0,0|2,0,0]=4 1700 B14R1.1003 CCC(C)C(=O)c1ccc(c(c1)C)O 1458a_100000685612_100000758301 [1,1,0,0,0,0|2,0,0]=4 1701 B14R1.1003 CCC(C)C(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100000758301 [1,1,0,0,0,0|2,0,0]=4 1702 B14R1.1003 CCC(C)C(=O)c1ccc(c(c1)F)O 1458a_100000185466_100000758301 [1,1,0,0,0,0|2,0,0]=4 1703 B14R1.1003 CCC(C)C(=O)c1ccc(c(c1)I)O 1458a_100000037485_100000758301 [1,1,0,0,0,0|2,0,0]=4 1704 B14R1.1003 CCC(C)C(=O)c1ccc(c(c1)O)Br 1458a_100000689001_100000758301 [1,1,0,0,0,0|2,0,0]=4 1705 B14R1.1003 CCC(C)C(=O)c1ccc(c(c1)O)C 1458a_100000233767_100000758301 [1,1,0,0,0,0|2,0,0]=4 1706 B14R1.1003 CCC(C)C(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_100000758301 [1,1,0,0,0,0|2,0,0]=4 1707 B14R1.1003 CCC(C)C(=O)c1ccc(c(c1)O)F 1458a_100000035894_100000758301 [1,1,0,0,0,0|2,0,0]=4 1708 B14R1.1003 CCC(C)C(=O)c1ccc(c(c1)O)I 1458a_100000239334_100000758301 [1,1,0,0,0,0|2,0,0]=4 1709 B14R1.1003 CCC(C)C(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000758301 [1,1,0,0,0,0|1,0,0]=3 1710 B14R1.1003 CCN(C)C(=O)c1ccc(c(c1)Br)O 240690a_100000225621_100000189672 [1,1,0,0,0,0|2,0,0]=4 1711 B14R1.1003 CCN(C)C(=O)c1ccc(c(c1)C)O 240690a_100000225621_100000685612 [1,1,0,0,0,0|2,0,0]=4 1712 B14R1.1003 CCN(C)C(=O)c1ccc(c(c1)Cl)O 240690a_100000225621_100000212196 [1,1,0,0,0,0|2,0,0]=4 1713 B14R1.1003 CCN(C)C(=O)c1ccc(c(c1)Cl)O 527a_100000225621_100000212196 [1,1,0,0,0,0|2,0,0]=4 1714 B14R1.1003 CCN(C)C(=O)c1ccc(c(c1)F)O 240690a_100000225621_100000185466 [1,1,0,0,0,0|2,0,0]=4 1715 B14R1.1003 CCN(C)C(=O)c1ccc(c(c1)F)O 527a_100000225621_100000185466 [1,1,0,0,0,0|2,0,0]=4 1716 B14R1.1003 CCN(C)C(=O)c1ccc(c(c1)I)O 1626a_100000225621_100000037485 [1,1,0,0,0,0|2,0,0]=4 1717 B14R1.1003 CCN(C)C(=O)c1ccc(c(c1)I)O 240690a_100000225621_100000037485 [1,1,0,0,0,0|2,0,0]=4 1718 B14R1.1003 CCN(C)C(=O)c1ccc(c(c1)O)Br 240690a_100000225621_100000689001 [1,1,0,0,0,0|2,0,0]=4 1719 B14R1.1003 CCN(C)C(=O)c1ccc(c(c1)O)Br 527a_100000225621_100000689001 [1,1,0,0,0,0|2,0,0]=4 1720 B14R1.1003 CCN(C)C(=O)c1ccc(c(c1)O)C 240690a_100000225621_100000233767 [1,1,0,0,0,0|2,0,0]=4 1721 B14R1.1003 CCN(C)C(=O)c1ccc(c(c1)O)Cl 240690a_100000225621_100011933997 [1,1,0,0,0,0|2,0,0]=4 1722 B14R1.1003 CCN(C)C(=O)c1ccc(c(c1)O)Cl 527a_100000225621_100011933997 [1,1,0,0,0,0|2,0,0]=4 1723 B14R1.1003 CCN(C)C(=O)c1ccc(c(c1)O)F 240690a_100000225621_100000035894 [1,1,0,0,0,0|2,0,0]=4 1724 B14R1.1003 CCN(C)C(=O)c1ccc(c(c1)O)F 527a_100000225621_100000035894 [1,1,0,0,0,0|2,0,0]=4 1725 B14R1.1003 CCN(C)C(=O)c1ccc(c(c1)O)I 1626a_100000225621_100000239334 [1,1,0,0,0,0|2,0,0]=4 1726 B14R1.1003 CCN(C)C(=O)c1ccc(c(c1)O)I 240690a_100000225621_100000239334 [1,1,0,0,0,0|2,0,0]=4 1727 B14R1.1003 CCN(C)C(=O)c1ccc(c(c1)O)I 527a_100000225621_100000239334 [1,1,0,0,0,0|2,0,0]=4 1728 B14R1.7264 CCCC(=O)c1cc(c(cc1F)C)O 1458a_100009839767_100000210303 [1,1,0,0,0,0|2,0,0]=4 1729 B14R1.7264 CCCC(=O)c1cc(c(cc1F)O)Cl 1458a_200009924051_100000210303 [1,1,0,0,0,0|2,0,0]=4 1730 B14R1.7264 CCCC(=O)c1cc(c(cc1O)O)Br 1458a_100009813906_100000210303 [1,1,0,0,0,0|2,0,0]=4 1731 B14R1.7264 CCNC(=O)c1cc(c(cc1F)C)O 240690a_100015525214_100009839767 [1,1,0,0,0,0|2,0,0]=4 1732 B14R1.7264 CCNC(=O)c1cc(c(cc1F)O)Cl 240690a_100015525214_200009924051 [1,1,0,0,0,0|2,0,0]=4 1733 B14R1.7264 CCNC(=O)c1cc(c(cc1F)O)Cl 527a_100015525214_200009924051 [1,1,0,0,0,0|2,0,0]=4 1734 B14R1.7264 CCNC(=O)c1cc(c(cc1O)O)Br 527a_100015525214_100009813906 [1,1,0,0,0,0|2,0,0]=4 1735 B14R1.7264 CCOC(=O)c1cc(c(cc1C)C)O 271570a_203496583355_100012360142 [1,1,0,0,0,0|1,0,0]=3 1736 B14R1.7264 CCOC(=O)c1cc(c(cc1F)F)O 271570a_203496583355_100012920295 [1,1,0,0,0,0|1,0,0]=3 1737 B14R1.7264 CCOC(=O)c1cc(c(cc1F)O)F 271570a_203496583355_100010827328 [1,1,0,0,0,0|1,0,0]=3 1738 B14R1.7264 CCOC(=O)c1cc(c(cc1O)F)F 271570a_203496583355_100010195690 [1,1,0,0,0,0|2,0,0]=4 1739 B14R1.7265 CCCC(=O)c1ccc(c(c1Br)O)Br 1458a_100016068111_100000210303 [1,1,0,0,0,0|2,0,0]=4 1740 B14R1.7265 CCCC(=O)c1ccc(c(c1Cl)O)O 1458a_100009910189_100000210303 [1,1,0,0,0,0|1,0,0]=3 1741 B14R1.7265 CCCC(=O)c1ccc(c(c1F)F)O 1458a_100000036740_100000210303 [1,1,0,0,0,0|2,0,0]=4 1742 B14R1.7265 CCCC(=O)c1ccc(c(c1F)O)F 1458a_100000084588_100000210303 [1,1,0,0,0,0|2,0,0]=4 1743 B14R1.7265 CCCC(=O)c1ccc(c(c1O)O)O 1458a_100000037941_100000210303 [1,1,0,0,0,0|1,0,0]=3 1744 B14R1.7265 CCNC(=O)c1ccc(c(c1Br)O)Br 240690a_100015525214_100016068111 [1,1,0,0,0,0|2,0,0]=4 1745 B14R1.7265 CCNC(=O)c1ccc(c(c1Br)O)Br 527a_100015525214_100016068111 [1,1,0,0,0,0|2,0,0]=4 1746 B14R1.7265 CCNC(=O)c1ccc(c(c1Cl)O)O 240690a_100015525214_100009910189 [1,1,0,0,0,0|1,0,0]=3 1747 B14R1.7265 CCNC(=O)c1ccc(c(c1F)F)O 240690a_100015525214_100000036740 [1,1,0,0,0,0|2,0,0]=4 1748 B14R1.7265 CCNC(=O)c1ccc(c(c1F)O)F 240690a_100015525214_100000084588 [1,1,0,0,0,0|2,0,0]=4 1749 B14R1.7265 CCOC(=O)c1ccc(c(c1C)O)F 271570a_203496583355_200000729658 [1,1,0,0,0,0|1,0,0]=3 1750 B14R1.7265 CNNC(=O)c1ccc(c(c1Cl)O)O 22a_100016993582_100009910189 [1,1,0,0,0,0|2,0,0]=4 1751 B14R1.7265 O=C(CCF)c1ccc(c(c1Cl)O)O 1458a_100009910189_100011217306 [1,1,0,0,0,0|2,0,0]=4 1752 B14R1.7265 O=C(CCF)c1ccc(c(c1O)O)O 1458a_100000037941_100011217306 [1,1,0,0,0,0|2,0,0]=4 1753 B14R1.7265 O=C(CCO)c1ccc(c(c1Cl)O)O 1458a_100009910189_100000211926 [1,1,0,0,0,0|2,0,0]=4 1754 B14R1.7265 O=C(CCO)c1ccc(c(c1O)O)O 1458a_100000037941_100000211926 [1,1,0,0,0,0|2,0,0]=4 1755 B14R1.358 C=Cc1cc(cc(c1O)Cl)C(=O)OC 271570a_100011290941_100135280131 [1,1,0,0,0,0|2,0,0]=4 1756 B14R1.358 C=Cc1cc(cc(c1O)N)C(=O)OC 271570a_100011290941_100010372079 [1,1,0,0,0,0|2,0,0]=4 1757 B14R1.358 CCC(=O)c1cc(c(c(c1)OC)Cl)Br 1458a_100020639751_100000210202 [1,1,0,0,0,0|2,0,0]=4 1758 B14R1.358 CCC(=O)c1cc(c(c(c1)OC)F)F 1458a_100000081826_100000210202 [1,1,0,0,0,0|2,0,0]=4 1759 B14R1.358 CCC(=O)c1cc(c(c(c1)OC)O)Cl 1458a_100000209947_100000210202 [1,1,0,0,0,0|1,0,0]=3 1760 B14R1.358 CCC(=O)c1cc(c(c(c1)OC)O)O 1458a_100000061230_100000210202 [1,1,0,0,0,0|0,0,0]=2 1761 B14R1.358 CNC(=O)c1cc(c(c(c1)OC)O)Cl 240690a_100102657272_100000209947 [1,1,0,0,0,0|2,0,0]=4 1762 B14R1.358 COC(=O)c1cc(c(c(c1)C=O)O)O 271570a_203496583355_100010724619 [1,1,0,0,0,0|0,0,1]=3 1763 B14R1.358 COC(=O)c1cc(c(c(c1)OC)C)F 34a_100000101006_200000210301 [1,1,0,0,0,0|2,0,0]=4 1764 B14R1.358 COC(=O)c1cc(c(c(c1)OC)C)F 7a_100000101006_200000210301 [1,1,0,0,0,0|2,0,0]=4 1765 B14R1.358 COC(=O)c1cc(c(c(c1)OC)Cl)Br 34a_200020639753_200000210301 [1,1,0,0,0,0|2,0,0]=4 1766 B14R1.358 COC(=O)c1cc(c(c(c1)OC)Cl)Br 7a_200020639753_200000210301 [1,1,0,0,0,0|2,0,0]=4 1767 B14R1.358 COC(=O)c1cc(c(c(c1)OC)N)O 271570a_203496583355_100010236038 [1,1,0,0,0,0|1,0,0]=3 1768 B14R1.358 COC(=O)c1cc(c(c(c1)OC)O)O 271570a_203496583355_200009811556 [1,1,0,0,0,0|0,0,0]=2 1769 B14R1.358 COC(=O)c1cc(c(c(c1)O[13CH3])C)F 34a_100000101006_200025704644 [1,1,0,0,0,0|2,0,0]=4 1770 B14R1.358 COC(=O)c1cc(c(c(c1)O[13CH3])C)F 7a_100000101006_200025704644 [1,1,0,0,0,0|2,0,0]=4 1771 B14R1.358 COC(=O)c1cc(c(c(c1)O[13CH3])Cl)Br 34a_200020639753_200025704644 [1,1,0,0,0,0|2,0,0]=4 1772 B14R1.358 COC(=O)c1cc(c(c(c1)O[13CH3])Cl)Br 7a_200020639753_200025704644 [1,1,0,0,0,0|2,0,0]=4 1773 B14R1.358 COC(=O)c1cc(c(c(c1)SC)O)Cl 62a_100135280131_200000210301 [1,1,0,0,0,0|1,1,0]=4 1774 B14R1.358 COC(=O)c1cc(c(c(c1)SC)O)Cl 62a_200000210301_100135280131 [1,1,0,0,0,0|1,1,0]=4 1775 B14R1.358 COC(=O)c1cc(c(c(c1)SC)O)N 62a_100010372079_200000210301 [1,1,0,0,0,0|1,1,0]=4 1776 B14R1.358 COC(=O)c1cc(c(c(c1)SC)O)N 62a_200000210301_100010372079 [1,1,0,0,0,0|1,1,0]=4 1777 B14R1.358 COC(=O)c1cc(c(c(c1)S[13CH3])O)Cl 62a_100135280131_200025704644 [1,1,0,0,0,0|1,1,0]=4 1778 B14R1.358 COC(=O)c1cc(c(c(c1)S[13CH3])O)Cl 62a_200025704644_100135280131 [1,1,0,0,0,0|1,1,0]=4 1779 B14R1.358 COC(=O)c1cc(c(c(c1)S[13CH3])O)N 62a_100010372079_200025704644 [1,1,0,0,0,0|1,1,0]=4 1780 B14R1.358 COC(=O)c1cc(c(c(c1)S[13CH3])O)N 62a_200025704644_100010372079 [1,1,0,0,0,0|1,1,0]=4 1781 B14R1.358 COc1cc(cc(c1O)Cl)C(=O)CF 1458a_100000209947_100015361967 [1,1,0,0,0,0|2,0,0]=4 1782 B14R1.358 COc1cc(cc(c1O)O)C(=O)CF 1458a_100000061230_100015361967 [1,1,0,0,0,0|1,0,0]=3 1783 B14R1.2876 CCC(=O)c1cc(c(c(c1F)F)O)F 1458a_100000088966_100000210202 [1,1,0,0,0,0|2,0,0]=4 1784 B14R1.2876 CCC(=O)c1cc(c(c(c1F)O)F)F 1458a_100000737090_100000210202 [1,1,0,0,0,0|2,0,0]=4 1785 B14R1.2876 COC(=O)c1cc(c(c(c1F)F)F)O 271570a_203496583355_100010167422 [1,1,0,0,0,0|2,0,0]=4 1786 B14R1.2876 COC(=O)c1cc(c(c(c1F)O)F)F 271570a_203496583355_100010238687 [1,1,0,0,0,0|2,0,0]=4 1787 B14R1.12512 C=Cc1c(cc(cc1O)C(=O)OC)O 271570a_100011290941_100010192586 [1,1,0,0,0,0|1,0,0]=3 1788 B14R1.12512 CCC(=O)c1cc(c(c(c1)Br)OC)Br 1458a_100012337705_100000210202 [1,1,0,0,0,0|2,0,0]=4 1789 B14R1.12512 CCC(=O)c1cc(c(c(c1)Br)OC)O 1458a_100010760816_100000210202 [1,1,0,0,0,0|1,0,0]=3 1790 B14R1.12512 CCC(=O)c1cc(c(c(c1)C)OC)C 1458a_100000696790_100000210202 [1,1,0,0,0,0|2,0,0]=4 1791 B14R1.12512 CCC(=O)c1cc(c(c(c1)Cl)OC)Cl 1458a_100000013545_100000210202 [1,1,0,0,0,0|2,0,0]=4 1792 B14R1.12512 CCC(=O)c1cc(c(c(c1)Cl)OC)F 1458a_100011356498_100000210202 [1,1,0,0,0,0|2,0,0]=4 1793 B14R1.12512 CCC(=O)c1cc(c(c(c1)F)CO)F 1458a_200009844098_100000210202 [1,1,0,0,0,0|2,0,0]=4 1794 B14R1.12512 CCC(=O)c1cc(c(c(c1)F)OC)F 1458a_100011216840_100000210202 [1,1,0,0,0,0|2,0,0]=4 1795 B14R1.12512 CCC(=O)c1cc(c(c(c1)F)OC)F 34a_100011216017_200000210301 [1,1,0,0,0,0|2,0,0]=4 1796 B14R1.12512 CCC(=O)c1cc(c(c(c1)F)OC)F 7a_100011216017_200000210301 [1,1,0,0,0,0|2,0,0]=4 1797 B14R1.12512 CCC(=O)c1cc(c(c(c1)F)O[13CH3])F 34a_100011216017_200025704644 [1,1,0,0,0,0|2,0,0]=4 1798 B14R1.12512 CCC(=O)c1cc(c(c(c1)F)O[13CH3])F 7a_100011216017_200025704644 [1,1,0,0,0,0|2,0,0]=4 1799 B14R1.12512 CCC(=O)c1cc(c(c(c1)I)OC)F 1458a_100012920440_100000210202 [1,1,0,0,0,0|2,0,0]=4 1800 B14R1.12512 CCC(=O)c1cc(c(c(c1)O)OC)O 1458a_100000073573_100000210202 [1,1,0,0,0,0|0,0,0]=2 1801 B14R1.12512 CNC(=O)c1cc(c(c(c1)Br)OC)O 240690a_100102657272_100010760816 [1,1,0,0,0,0|2,0,0]=4 1802 B14R1.12512 CNC(=O)c1cc(c(c(c1)Br)OC)O 527a_100102657272_100010760816 [1,1,0,0,0,0|2,0,0]=4 1803 B14R1.12512 COC(=O)c1cc(c(c(c1)Br)OC)Br 34a_100009813172_200000210301 [1,1,0,0,0,0|2,0,0]=4 1804 B14R1.12512 COC(=O)c1cc(c(c(c1)Br)OC)Br 7a_100009813172_200000210301 [1,1,0,0,0,0|2,0,0]=4 1805 B14R1.12512 COC(=O)c1cc(c(c(c1)Br)OC)Cl 34a_100010873366_200000210301 [1,1,0,0,0,0|2,0,0]=4 1806 B14R1.12512 COC(=O)c1cc(c(c(c1)Br)OC)Cl 7a_100010873366_200000210301 [1,1,0,0,0,0|2,0,0]=4 1807 B14R1.12512 COC(=O)c1cc(c(c(c1)Br)OC)N 34a_100010372079_200000210301 [1,1,0,0,0,0|2,0,0]=4 1808 B14R1.12512 COC(=O)c1cc(c(c(c1)Br)OC)N 7a_100010372079_200000210301 [1,1,0,0,0,0|2,0,0]=4 1809 B14R1.12512 COC(=O)c1cc(c(c(c1)Br)O[13CH3])Br 34a_100009813172_200025704644 [1,1,0,0,0,0|2,0,0]=4 1810 B14R1.12512 COC(=O)c1cc(c(c(c1)Br)O[13CH3])Br 7a_100009813172_200025704644 [1,1,0,0,0,0|2,0,0]=4 1811 B14R1.12512 COC(=O)c1cc(c(c(c1)Br)O[13CH3])Cl 34a_100010873366_200025704644 [1,1,0,0,0,0|2,0,0]=4 1812 B14R1.12512 COC(=O)c1cc(c(c(c1)Br)O[13CH3])Cl 7a_100010873366_200025704644 [1,1,0,0,0,0|2,0,0]=4 1813 B14R1.12512 COC(=O)c1cc(c(c(c1)Br)O[13CH3])N 34a_100010372079_200025704644 [1,1,0,0,0,0|2,0,0]=4 1814 B14R1.12512 COC(=O)c1cc(c(c(c1)Br)O[13CH3])N 7a_100010372079_200025704644 [1,1,0,0,0,0|2,0,0]=4 1815 B14R1.12512 COC(=O)c1cc(c(c(c1)Cl)OC)Cl 34a_100000148585_200000210301 [1,1,0,0,0,0|2,0,0]=4 1816 B14R1.12512 COC(=O)c1cc(c(c(c1)Cl)OC)Cl 7a_100000148585_200000210301 [1,1,0,0,0,0|2,0,0]=4 1817 B14R1.12512 COC(=O)c1cc(c(c(c1)Cl)OC)N 34a_100010571316_200000210301 [1,1,0,0,0,0|2,0,0]=4 1818 B14R1.12512 COC(=O)c1cc(c(c(c1)Cl)OC)N 7a_100010571316_200000210301 [1,1,0,0,0,0|2,0,0]=4 1819 B14R1.12512 COC(=O)c1cc(c(c(c1)Cl)O[13CH3])Cl 34a_100000148585_200025704644 [1,1,0,0,0,0|2,0,0]=4 1820 B14R1.12512 COC(=O)c1cc(c(c(c1)Cl)O[13CH3])Cl 7a_100000148585_200025704644 [1,1,0,0,0,0|2,0,0]=4 1821 B14R1.12512 COC(=O)c1cc(c(c(c1)Cl)O[13CH3])N 34a_100010571316_200025704644 [1,1,0,0,0,0|2,0,0]=4 1822 B14R1.12512 COC(=O)c1cc(c(c(c1)Cl)O[13CH3])N 7a_100010571316_200025704644 [1,1,0,0,0,0|2,0,0]=4 1823 B14R1.12512 COC(=O)c1cc(c(c(c1)F)OC)F 34a_100009871777_200000210301 [1,1,0,0,0,0|2,0,0]=4 1824 B14R1.12512 COC(=O)c1cc(c(c(c1)F)OC)F 7a_100009871777_200000210301 [1,1,0,0,0,0|2,0,0]=4 1825 B14R1.12512 COC(=O)c1cc(c(c(c1)F)O[13CH3])F 34a_100009871777_200025704644 [1,1,0,0,0,0|2,0,0]=4 1826 B14R1.12512 COC(=O)c1cc(c(c(c1)F)O[13CH3])F 7a_100009871777_200025704644 [1,1,0,0,0,0|2,0,0]=4 1827 B14R1.12512 COC(=O)c1cc(c(c(c1)I)OC)Cl 34a_100135280131_200000210301 [1,1,0,0,0,0|2,0,0]=4 1828 B14R1.12512 COC(=O)c1cc(c(c(c1)I)OC)Cl 7a_100135280131_200000210301 [1,1,0,0,0,0|2,0,0]=4 1829 B14R1.12512 COC(=O)c1cc(c(c(c1)I)OC)I 7a_100010007818_200000210301 [1,1,0,0,0,0|2,0,0]=4 1830 B14R1.12512 COC(=O)c1cc(c(c(c1)I)O[13CH3])Cl 34a_100135280131_200025704644 [1,1,0,0,0,0|2,0,0]=4 1831 B14R1.12512 COC(=O)c1cc(c(c(c1)I)O[13CH3])Cl 7a_100135280131_200025704644 [1,1,0,0,0,0|2,0,0]=4 1832 B14R1.12512 COC(=O)c1cc(c(c(c1)I)O[13CH3])I 7a_100010007818_200025704644 [1,1,0,0,0,0|2,0,0]=4 1833 B14R1.12512 COC(=O)c1cc(c(c(c1)O)SC)O 62a_200000210301_100010192586 [1,1,0,0,0,0|0,1,0]=3 1834 B14R1.12512 COC(=O)c1cc(c(c(c1)O)S[13CH3])O 62a_200025704644_100010192586 [1,1,0,0,0,0|0,1,0]=3 1835 B14R1.12512 COc1c(cc(cc1Br)C(=O)CF)O 1458a_100010760816_100015361967 [1,1,0,0,0,0|2,0,0]=4 1836 B14R1.12512 COc1c(cc(cc1O)C(=O)CF)O 1458a_100000073573_100015361967 [1,1,0,0,0,0|1,0,0]=3 1837 B14R1.15551 CC(C)C(=O)c1cc(c(c(c1)Br)O)Br 1458a_100000692688_100000210206 [1,1,0,0,0,0|2,0,0]=4 1838 B14R1.15551 CC(C)C(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100000210206 [1,1,0,0,0,0|1,0,0]=3 1839 B14R1.15551 CC(C)C(=O)c1cc(c(c(c1)Cl)O)Cl 1458a_100000184433_100000210206 [1,1,0,0,0,0|2,0,0]=4 1840 B14R1.15551 CC(C)C(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100000210206 [1,1,0,0,0,0|1,0,0]=3 1841 B14R1.15551 CC(C)C(=O)c1cc(c(c(c1)F)F)O 1458a_200000081825_100000210206 [1,1,0,0,0,0|2,0,0]=4 1842 B14R1.15551 CC(C)C(=O)c1cc(c(c(c1)F)O)F 1458a_100000766045_100000210206 [1,1,0,0,0,0|2,0,0]=4 1843 B14R1.15551 CC(C)C(=O)c1cc(c(c(c1)I)O)I 1458a_100000034356_100000210206 [1,1,0,0,0,0|2,0,0]=4 1844 B14R1.15551 CC(C)C(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_100000210206 [1,1,0,0,0,0|1,0,0]=3 1845 B14R1.15551 CC(C)C(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000210206 [1,1,0,0,0,0|0,0,0]=2 1846 B14R1.15551 CN(C)C(=O)c1cc(c(c(c1)Br)O)O 240690a_100102631434_200009992764 [1,1,0,0,0,0|2,0,0]=4 1847 B14R1.15551 CN(C)C(=O)c1cc(c(c(c1)Cl)O)O 240690a_100102631434_200000078382 [1,1,0,0,0,0|2,0,0]=4 1848 B14R1.15551 CN(C)C(=O)c1cc(c(c(c1)O)Br)O 240690a_100102631434_100009812877 [1,1,0,0,0,0|2,0,0]=4 1849 B14R1.15551 CN(C)C(=O)c1cc(c(c(c1)O)Cl)O 240690a_100102631434_100000074654 [1,1,0,0,0,0|2,0,0]=4 1850 B14R1.15551 Cc1c(cc(cc1O)C(=O)C(C)C)O 1458a_100000031928_100000210206 [1,1,0,0,0,0|1,0,0]=3 1851 B14R1.15551 Cc1c(cc(cc1O)C(=O)N(C)C)O 240690a_100102631434_100000031928 [1,1,0,0,0,0|2,0,0]=4 1852 B14R1.15551 Cc1c(cc(cc1O)C(=O)N(C)C)O 527a_100102631434_100000031928 [1,1,0,0,0,0|2,0,0]=4 1853 B14R1.15551 Cc1cc(cc(c1O)C)C(=O)C(C)C 1458a_100011219978_100000210206 [1,1,0,0,0,0|2,0,0]=4 1854 B16R1.1451 CCOCC(=O)Nc1cc(c(c(c1)Br)O)Br 22a_200000186426_100000211967 [0,1,0,0,0,1|2,0,0]=4 1855 B16R1.1451 CCOCC(=O)Nc1cc(c(c(c1)Br)O)Br 527a_200000186426_100000211967 [0,1,0,0,0,1|2,0,0]=4 1856 B16R1.1451 CCOCC(=O)Nc1cc(c(c(c1)Br)O)C 11a_100010064301_100000211967 [0,1,0,0,0,1|2,0,0]=4 1857 B16R1.1451 CCOCC(=O)Nc1cc(c(c(c1)Br)O)C 22a_100010064301_100000211967 [0,1,0,0,0,1|2,0,0]=4 1858 B16R1.1451 CCOCC(=O)Nc1cc(c(c(c1)Br)O)C 527a_100010064301_100000211967 [0,1,0,0,0,1|2,0,0]=4 1859 B16R1.1451 CCOCC(=O)Nc1cc(c(c(c1)C)O)C 11a_100000703291_100000211967 [0,1,0,0,0,1|2,0,0]=4 1860 B16R1.1451 CCOCC(=O)Nc1cc(c(c(c1)C)O)C 1626a_100000703291_100000211967 [0,1,0,0,0,1|2,0,0]=4 1861 B16R1.1451 CCOCC(=O)Nc1cc(c(c(c1)C)O)C 22a_100000703291_100000211967 [0,1,0,0,0,1|2,0,0]=4 1862 B16R1.1451 CCOCC(=O)Nc1cc(c(c(c1)C)O)C 527a_100000703291_100000211967 [0,1,0,0,0,1|2,0,0]=4 1863 B16R1.1451 CCOCC(=O)Nc1cc(c(c(c1)Cl)Cl)O 22a_100015839415_100000211967 [0,1,0,0,0,1|2,0,0]=4 1864 B16R1.1451 CCOCC(=O)Nc1cc(c(c(c1)Cl)O)Cl 22a_100000695418_100000211967 [0,1,0,0,0,1|2,0,0]=4 1865 B16R1.1451 CCOCC(=O)Nc1cc(c(c(c1)Cl)O)Cl 527a_100000695418_100000211967 [0,1,0,0,0,1|2,0,0]=4 1866 B16R1.1451 CCOCC(=O)Nc1cc(c(c(c1)F)O)F 1626a_100016987357_100000211967 [0,1,0,0,0,1|2,0,0]=4 1867 B16R1.1451 CCOCC(=O)Nc1cc(c(c(c1)F)O)F 22a_100016987357_100000211967 [0,1,0,0,0,1|2,0,0]=4 1868 B16R1.1451 CCOCC(=O)Nc1cc(c(c(c1)F)O)F 527a_100016987357_100000211967 [0,1,0,0,0,1|2,0,0]=4 1869 B16R1.15044 CCCC(=O)Cc1cc(c(c(c1)OC)O)Br 1458a_100009814412_100000210303 [0,1,0,0,0,1|2,0,0]=4 1870 B16R1.15044 CCNC(=O)Cc1cc(c(c(c1)OC)O)Br 240690a_100015525214_100009814412 [0,1,0,0,0,1|2,0,0]=4 1871 B16R1.15044 CCNC(=O)Cc1cc(c(c(c1)OC)O)Br 527a_100015525214_100009814412 [0,1,0,0,0,1|2,0,0]=4 1872 B16R1.409 CCC(C)C(=O)c1cc(c(c(c1)OC)O)Cl 1458a_100000209947_100000758301 [0,2,0,0,0,0|2,0,0]=4 1873 B16R1.409 CCC(C)C(=O)c1cc(c(c(c1)OC)O)O 1458a_100000061230_100000758301 [0,2,0,0,0,0|1,0,0]=3 1874 B16R1.409 CCN(C)C(=O)c1cc(c(c(c1)OC)O)Cl 240690a_100000225621_100000209947 [0,2,0,0,0,0|2,0,0]=4 1875 B16R1.36205 CCC(C)C(=O)c1cc(c(c(c1)Br)OC)O 1458a_100010760816_100000758301 [0,2,0,0,0,0|2,0,0]=4 1876 B16R1.36205 CCC(C)C(=O)c1cc(c(c(c1)O)OC)O 1458a_100000073573_100000758301 [0,2,0,0,0,0|1,0,0]=3 1877 B16R1.36205 CCN(C)C(=O)c1cc(c(c(c1)Br)OC)O 240690a_100000225621_100010760816 [0,2,0,0,0,0|2,0,0]=4 1878 B16R1.36205 CCN(C)C(=O)c1cc(c(c(c1)Br)OC)O 527a_100000225621_100010760816 [0,2,0,0,0,0|2,0,0]=4 1879 B16R1.52958 CC(=O)C(C)C(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000179758 [0,2,0,0,0,0|1,0,1]=4 1880 B16R1.52958 CC(C)N(C)C(=O)c1cc(c(c(c1)Br)O)O 240690a_200000211004_200009992764 [0,2,0,0,0,0|2,0,0]=4 1881 B16R1.52958 CC(C)N(C)C(=O)c1cc(c(c(c1)Cl)O)O 240690a_200000211004_200000078382 [0,2,0,0,0,0|2,0,0]=4 1882 B16R1.52958 CC(C)N(C)C(=O)c1cc(c(c(c1)O)Br)O 240690a_200000211004_100009812877 [0,2,0,0,0,0|2,0,0]=4 1883 B16R1.52958 CC(C)N(C)C(=O)c1cc(c(c(c1)O)Cl)O 240690a_200000211004_100000074654 [0,2,0,0,0,0|2,0,0]=4 1884 B16R1.52958 Cc1c(cc(cc1O)C(=O)N(C)C(C)C)O 240690a_200000211004_100000031928 [0,2,0,0,0,0|2,0,0]=4 1885 B16R1.52958 Cc1c(cc(cc1O)C(=O)N(C)C(C)C)O 527a_200000211004_100000031928 [0,2,0,0,0,0|2,0,0]=4 1886 B16R1.67886 CCC(CC)C(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100000210505 [0,2,0,0,0,0|2,0,0]=4 1887 B16R1.67886 CCC(CC)C(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100000210505 [0,2,0,0,0,0|2,0,0]=4 1888 B16R1.67886 CCC(CC)C(=O)c1cc(c(c(c1)O)C)O 1458a_100000031928_100000210505 [0,2,0,0,0,0|2,0,0]=4 1889 B16R1.67886 CCC(CC)C(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_100000210505 [0,2,0,0,0,0|2,0,0]=4 1890 B16R1.67886 CCC(CC)C(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000210505 [0,2,0,0,0,0|1,0,0]=3 1891 B16R1.67886 CCN(CC)C(=O)c1cc(c(c(c1)Br)O)O 240690a_100000724800_200009992764 [0,2,0,0,0,0|2,0,0]=4 1892 B16R1.67886 CCN(CC)C(=O)c1cc(c(c(c1)Cl)O)O 240690a_100000724800_200000078382 [0,2,0,0,0,0|2,0,0]=4 1893 B16R1.67886 CCN(CC)C(=O)c1cc(c(c(c1)O)Br)O 240690a_100000724800_100009812877 [0,2,0,0,0,0|2,0,0]=4 1894 B16R1.67886 CCN(CC)C(=O)c1cc(c(c(c1)O)C)O 240690a_100000724800_100000031928 [0,2,0,0,0,0|2,0,0]=4 1895 B16R1.67886 CCN(CC)C(=O)c1cc(c(c(c1)O)C)O 527a_100000724800_100000031928 [0,2,0,0,0,0|2,0,0]=4 1896 B16R1.67886 CCN(CC)C(=O)c1cc(c(c(c1)O)Cl)O 240690a_100000724800_100000074654 [0,2,0,0,0,0|2,0,0]=4 1897 B16R1.3548 C#CCCCC(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100000731252 [0,2,0,0,0,0|2,0,0]=4 1898 B16R1.3548 C#CCCCC(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100000731252 [0,2,0,0,0,0|2,0,0]=4 1899 B16R1.3548 C#CCCCC(=O)c1cc(c(c(c1)O)C)O 1458a_100000031928_100000731252 [0,2,0,0,0,0|2,0,0]=4 1900 B16R1.3548 C#CCCCC(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_100000731252 [0,2,0,0,0,0|2,0,0]=4 1901 B16R1.3548 C#CCCCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000731252 [0,2,0,0,0,0|1,0,0]=3 1902 B16R1.3548 C#CCCNC(=O)c1cc(c(c(c1)Br)O)O 240690a_100000755551_200009992764 [0,2,0,0,0,0|2,0,0]=4 1903 B16R1.3548 C#CCCNC(=O)c1cc(c(c(c1)Cl)O)O 240690a_100000755551_200000078382 [0,2,0,0,0,0|2,0,0]=4 1904 B16R1.3548 C#CCCNC(=O)c1cc(c(c(c1)O)Br)O 240690a_100000755551_100009812877 [0,2,0,0,0,0|2,0,0]=4 1905 B16R1.3548 C#CCCNC(=O)c1cc(c(c(c1)O)C)O 240690a_100000755551_100000031928 [0,2,0,0,0,0|2,0,0]=4 1906 B16R1.3548 C#CCCNC(=O)c1cc(c(c(c1)O)C)O 527a_100000755551_100000031928 [0,2,0,0,0,0|2,0,0]=4 1907 B16R1.3548 C#CCCNC(=O)c1cc(c(c(c1)O)Cl)O 240690a_100000755551_100000074654 [0,2,0,0,0,0|2,0,0]=4 1908 B16R1.3548 C=CCCCC(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100000757094 [0,2,0,0,0,0|2,0,0]=4 1909 B16R1.3548 C=CCCCC(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100000757094 [0,2,0,0,0,0|2,0,0]=4 1910 B16R1.3548 C=CCCCC(=O)c1cc(c(c(c1)O)C)O 1458a_100000031928_100000757094 [0,2,0,0,0,0|2,0,0]=4 1911 B16R1.3548 C=CCCCC(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_100000757094 [0,2,0,0,0,0|2,0,0]=4 1912 B16R1.3548 C=CCCCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000757094 [0,2,0,0,0,0|1,0,0]=3 1913 B16R1.3548 C=CCCNC(=O)c1cc(c(c(c1)Br)O)O 240690a_100015191253_200009992764 [0,2,0,0,0,0|2,0,0]=4 1914 B16R1.3548 C=CCCNC(=O)c1cc(c(c(c1)Cl)O)O 240690a_100015191253_200000078382 [0,2,0,0,0,0|2,0,0]=4 1915 B16R1.3548 C=CCCNC(=O)c1cc(c(c(c1)O)Br)O 240690a_100015191253_100009812877 [0,2,0,0,0,0|2,0,0]=4 1916 B16R1.3548 C=CCCNC(=O)c1cc(c(c(c1)O)C)O 240690a_100015191253_100000031928 [0,2,0,0,0,0|2,0,0]=4 1917 B16R1.3548 C=CCCNC(=O)c1cc(c(c(c1)O)C)O 527a_100015191253_100000031928 [0,2,0,0,0,0|2,0,0]=4 1918 B16R1.3548 C=CCCNC(=O)c1cc(c(c(c1)O)Cl)O 240690a_100015191253_100000074654 [0,2,0,0,0,0|2,0,0]=4 1919 B16R1.3548 C=CCNNC(=O)c1cc(c(c(c1)O)O)O 22a_100020588587_100000212154 [0,2,0,0,0,0|1,0,1]=4 1920 B16R1.3548 C=COCCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000039644 [0,2,0,0,0,0|0,0,2]=4 1921 B16R1.3548 CC#CCNC(=O)c1cc(c(c(c1)O)C)O 527a_100000685387_100000031928 [0,2,0,0,0,0|2,0,0]=4 1922 B16R1.3548 CC/C=C\CC(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100103147603 [0,2,0,0,0,0|2,0,0]=4 1923 B16R1.3548 CC/C=C\CC(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100103147603 [0,2,0,0,0,0|2,0,0]=4 1924 B16R1.3548 CC/C=C\CC(=O)c1cc(c(c(c1)O)C)O 1458a_100000031928_100103147603 [0,2,0,0,0,0|2,0,0]=4 1925 B16R1.3548 CC/C=C\CC(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_100103147603 [0,2,0,0,0,0|2,0,0]=4 1926 B16R1.3548 CC/C=C\CC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100103147603 [0,2,0,0,0,0|1,0,0]=3 1927 B16R1.3548 CCC#CCC(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100009813939 [0,2,0,0,0,0|2,0,0]=4 1928 B16R1.3548 CCC#CCC(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100009813939 [0,2,0,0,0,0|2,0,0]=4 1929 B16R1.3548 CCC#CCC(=O)c1cc(c(c(c1)O)C)O 1458a_100000031928_100009813939 [0,2,0,0,0,0|2,0,0]=4 1930 B16R1.3548 CCC#CCC(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_100009813939 [0,2,0,0,0,0|2,0,0]=4 1931 B16R1.3548 CCC#CCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100009813939 [0,2,0,0,0,0|1,0,0]=3 1932 B16R1.3548 CCCCCC(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100000210326 [0,2,0,0,0,0|2,0,0]=4 1933 B16R1.3548 CCCCCC(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100000210326 [0,2,0,0,0,0|2,0,0]=4 1934 B16R1.3548 CCCCCC(=O)c1cc(c(c(c1)O)C)O 1458a_100000031928_100000210326 [0,2,0,0,0,0|2,0,0]=4 1935 B16R1.3548 CCCCCC(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_100000210326 [0,2,0,0,0,0|2,0,0]=4 1936 B16R1.3548 CCCCCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000210326 [0,2,0,0,0,0|1,0,0]=3 1937 B16R1.3548 CCCCNC(=O)c1cc(c(c(c1)Br)O)O 240690a_100000102301_200009992764 [0,2,0,0,0,0|2,0,0]=4 1938 B16R1.3548 CCCCNC(=O)c1cc(c(c(c1)Cl)O)O 240690a_100000102301_200000078382 [0,2,0,0,0,0|2,0,0]=4 1939 B16R1.3548 CCCCNC(=O)c1cc(c(c(c1)O)Br)O 240690a_100000102301_100009812877 [0,2,0,0,0,0|2,0,0]=4 1940 B16R1.3548 CCCCNC(=O)c1cc(c(c(c1)O)C)O 240690a_100000102301_100000031928 [0,2,0,0,0,0|2,0,0]=4 1941 B16R1.3548 CCCCNC(=O)c1cc(c(c(c1)O)C)O 527a_100000102301_100000031928 [0,2,0,0,0,0|2,0,0]=4 1942 B16R1.3548 CCCCNC(=O)c1cc(c(c(c1)O)Cl)O 240690a_100000102301_100000074654 [0,2,0,0,0,0|2,0,0]=4 1943 B16R1.3548 CCCNNC(=O)c1cc(c(c(c1)Br)O)O 22a_100000740057_200009992764 [0,2,0,0,0,0|2,0,0]=4 1944 B16R1.3548 CCCNNC(=O)c1cc(c(c(c1)Cl)O)O 22a_100000740057_200000078382 [0,2,0,0,0,0|2,0,0]=4 1945 B16R1.3548 CCCNNC(=O)c1cc(c(c(c1)O)Br)O 22a_100000740057_100009812877 [0,2,0,0,0,0|2,0,0]=4 1946 B16R1.3548 CCCNNC(=O)c1cc(c(c(c1)O)C)O 22a_100000740057_100000031928 [0,2,0,0,0,0|2,0,0]=4 1947 B16R1.3548 CCCNNC(=O)c1cc(c(c(c1)O)Cl)O 22a_100000740057_100000074654 [0,2,0,0,0,0|2,0,0]=4 1948 B16R1.3548 CCCNNC(=O)c1cc(c(c(c1)O)O)O 22a_100000740057_100000212154 [0,2,0,0,0,0|1,0,0]=3 1949 B16R1.3548 CCOCCC(=O)c1cc(c(c(c1)Br)O)Br 1458a_100000692688_100011215890 [0,2,0,0,0,0|2,0,0]=4 1950 B16R1.3548 CCOCCC(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100011215890 [0,2,0,0,0,0|1,0,0]=3 1951 B16R1.3548 CCOCCC(=O)c1cc(c(c(c1)C)O)C 1458a_100011219978_100011215890 [0,2,0,0,0,0|2,0,0]=4 1952 B16R1.3548 CCOCCC(=O)c1cc(c(c(c1)Cl)O)Cl 1458a_100000184433_100011215890 [0,2,0,0,0,0|2,0,0]=4 1953 B16R1.3548 CCOCCC(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100011215890 [0,2,0,0,0,0|1,0,0]=3 1954 B16R1.3548 CCOCCC(=O)c1cc(c(c(c1)F)F)O 1458a_200000081825_100011215890 [0,2,0,0,0,0|2,0,0]=4 1955 B16R1.3548 CCOCCC(=O)c1cc(c(c(c1)F)O)F 1458a_100000766045_100011215890 [0,2,0,0,0,0|2,0,0]=4 1956 B16R1.3548 CCOCCC(=O)c1cc(c(c(c1)I)O)I 1458a_100000034356_100011215890 [0,2,0,0,0,0|2,0,0]=4 1957 B16R1.3548 CCOCCC(=O)c1cc(c(c(c1)O)C)O 1458a_100000031928_100011215890 [0,2,0,0,0,0|1,0,0]=3 1958 B16R1.3548 CCOCCC(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_100011215890 [0,2,0,0,0,0|1,0,0]=3 1959 B16R1.3548 CCOCCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100011215890 [0,2,0,0,0,0|0,0,0]=2 1960 B16R1.3548 CCSCCC(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100000757381 [0,2,0,0,0,0|1,1,0]=4 1961 B16R1.3548 CCSCCC(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100000757381 [0,2,0,0,0,0|1,1,0]=4 1962 B16R1.3548 CCSCCC(=O)c1cc(c(c(c1)O)C)O 1458a_100000031928_100000757381 [0,2,0,0,0,0|1,1,0]=4 1963 B16R1.3548 CCSCCC(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_100000757381 [0,2,0,0,0,0|1,1,0]=4 1964 B16R1.3548 CCSCCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000757381 [0,2,0,0,0,0|0,1,0]=3 1965 B16R1.3548 COCCCC(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100000740836 [0,2,0,0,0,0|2,0,0]=4 1966 B16R1.3548 COCCCC(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100000740836 [0,2,0,0,0,0|2,0,0]=4 1967 B16R1.3548 COCCCC(=O)c1cc(c(c(c1)O)C)O 1458a_100000031928_100000740836 [0,2,0,0,0,0|2,0,0]=4 1968 B16R1.3548 COCCCC(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_100000740836 [0,2,0,0,0,0|2,0,0]=4 1969 B16R1.3548 COCCCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000740836 [0,2,0,0,0,0|1,0,0]=3 1970 B16R1.3548 COCCNC(=O)c1cc(c(c(c1)Br)O)O 240690a_100000209980_200009992764 [0,2,0,0,0,0|2,0,0]=4 1971 B16R1.3548 COCCNC(=O)c1cc(c(c(c1)Cl)O)O 240690a_100000209980_200000078382 [0,2,0,0,0,0|2,0,0]=4 1972 B16R1.3548 COCCNC(=O)c1cc(c(c(c1)O)Br)O 240690a_100000209980_100009812877 [0,2,0,0,0,0|2,0,0]=4 1973 B16R1.3548 COCCNC(=O)c1cc(c(c(c1)O)C)O 240690a_100000209980_100000031928 [0,2,0,0,0,0|2,0,0]=4 1974 B16R1.3548 COCCNC(=O)c1cc(c(c(c1)O)C)O 527a_100000209980_100000031928 [0,2,0,0,0,0|2,0,0]=4 1975 B16R1.3548 COCCNC(=O)c1cc(c(c(c1)O)Cl)O 240690a_100000209980_100000074654 [0,2,0,0,0,0|2,0,0]=4 1976 B16R1.3548 CSCCNC(=O)c1cc(c(c(c1)Br)O)O 240690a_100020590264_200009992764 [0,2,0,0,0,0|2,0,0]=4 1977 B16R1.3548 CSCCNC(=O)c1cc(c(c(c1)Cl)O)O 240690a_100020590264_200000078382 [0,2,0,0,0,0|2,0,0]=4 1978 B16R1.3548 CSCCNC(=O)c1cc(c(c(c1)O)Br)O 240690a_100020590264_100009812877 [0,2,0,0,0,0|2,0,0]=4 1979 B16R1.3548 CSCCNC(=O)c1cc(c(c(c1)O)C)O 240690a_100020590264_100000031928 [0,2,0,0,0,0|2,0,0]=4 1980 B16R1.3548 CSCCNC(=O)c1cc(c(c(c1)O)C)O 527a_100020590264_100000031928 [0,2,0,0,0,0|2,0,0]=4 1981 B16R1.3548 CSCCNC(=O)c1cc(c(c(c1)O)Cl)O 240690a_100020590264_100000074654 [0,2,0,0,0,0|2,0,0]=4 1982 B16R1.3548 Cc1c(cc(cc1O)C(=O)CCCC#N)O 1458a_100000031928_100000211468 [0,2,0,0,0,0|2,0,0]=4 1983 B16R1.3548 Cc1c(cc(cc1O)C(=O)CCCCF)O 1458a_100000031928_100000729493 [0,2,0,0,0,0|2,0,0]=4 1984 B16R1.3548 Cc1c(cc(cc1O)C(=O)CCCCO)O 1458a_100000031928_100000210776 [0,2,0,0,0,0|2,0,0]=4 1985 B16R1.3548 Cc1c(cc(cc1O)C(=O)NCCC#N)O 240690a_100000720768_100000031928 [0,2,0,0,0,0|2,0,0]=4 1986 B16R1.3548 Cc1c(cc(cc1O)C(=O)NCCC#N)O 527a_100000720768_100000031928 [0,2,0,0,0,0|2,0,0]=4 1987 B16R1.3548 Cc1c(cc(cc1O)C(=O)NCCCF)O 240690a_100015189416_100000031928 [0,2,0,0,0,0|2,0,0]=4 1988 B16R1.3548 Cc1c(cc(cc1O)C(=O)NCCCF)O 527a_100015189416_100000031928 [0,2,0,0,0,0|2,0,0]=4 1989 B16R1.3548 Cc1c(cc(cc1O)C(=O)NCCCO)O 240690a_100000182051_100000031928 [0,2,0,0,0,0|2,0,0]=4 1990 B16R1.3548 Cc1c(cc(cc1O)C(=O)NCCCO)O 527a_100000182051_100000031928 [0,2,0,0,0,0|2,0,0]=4 1991 B16R1.3548 Cc1c(cc(cc1O)C(=O)NNCCO)O 22a_100000210001_100000031928 [0,2,0,0,0,0|2,0,0]=4 1992 B16R1.3548 N#CCCCC(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100000211468 [0,2,0,0,0,0|2,0,0]=4 1993 B16R1.3548 N#CCCCC(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100000211468 [0,2,0,0,0,0|2,0,0]=4 1994 B16R1.3548 N#CCCCC(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_100000211468 [0,2,0,0,0,0|2,0,0]=4 1995 B16R1.3548 N#CCCCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000211468 [0,2,0,0,0,0|1,0,0]=3 1996 B16R1.3548 N#CCCNC(=O)c1cc(c(c(c1)Br)O)O 240690a_100000720768_200009992764 [0,2,0,0,0,0|2,0,0]=4 1997 B16R1.3548 N#CCCNC(=O)c1cc(c(c(c1)Cl)O)O 240690a_100000720768_200000078382 [0,2,0,0,0,0|2,0,0]=4 1998 B16R1.3548 N#CCCNC(=O)c1cc(c(c(c1)O)Br)O 240690a_100000720768_100009812877 [0,2,0,0,0,0|2,0,0]=4 1999 B16R1.3548 N#CCCNC(=O)c1cc(c(c(c1)O)Cl)O 240690a_100000720768_100000074654 [0,2,0,0,0,0|2,0,0]=4 2000 B16R1.3548 O=C(CC#CCO)c1cc(c(c(c1)O)O)O 1458a_100000212154_200000047223 [0,2,0,0,0,0|1,0,1]=4 2001 B16R1.3548 O=C(CCCCF)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100000729493 [0,2,0,0,0,0|2,0,0]=4 2002 B16R1.3548 O=C(CCCCF)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100000729493 [0,2,0,0,0,0|2,0,0]=4 2003 B16R1.3548 O=C(CCCCF)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_100000729493 [0,2,0,0,0,0|2,0,0]=4 2004 B16R1.3548 O=C(CCCCF)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000729493 [0,2,0,0,0,0|1,0,0]=3 2005 B16R1.3548 O=C(CCCCO)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100000210776 [0,2,0,0,0,0|2,0,0]=4 2006 B16R1.3548 O=C(CCCCO)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100000210776 [0,2,0,0,0,0|2,0,0]=4 2007 B16R1.3548 O=C(CCCCO)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_100000210776 [0,2,0,0,0,0|2,0,0]=4 2008 B16R1.3548 O=C(CCCCO)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000210776 [0,2,0,0,0,0|1,0,0]=3 2009 B16R1.3548 O=C(NCCCF)c1cc(c(c(c1)Br)O)O 240690a_100015189416_200009992764 [0,2,0,0,0,0|2,0,0]=4 2010 B16R1.3548 O=C(NCCCF)c1cc(c(c(c1)Cl)O)O 240690a_100015189416_200000078382 [0,2,0,0,0,0|2,0,0]=4 2011 B16R1.3548 O=C(NCCCF)c1cc(c(c(c1)O)Br)O 240690a_100015189416_100009812877 [0,2,0,0,0,0|2,0,0]=4 2012 B16R1.3548 O=C(NCCCF)c1cc(c(c(c1)O)Cl)O 240690a_100015189416_100000074654 [0,2,0,0,0,0|2,0,0]=4 2013 B16R1.3548 O=C(NCCCO)c1cc(c(c(c1)Br)O)O 240690a_100000182051_200009992764 [0,2,0,0,0,0|2,0,0]=4 2014 B16R1.3548 O=C(NCCCO)c1cc(c(c(c1)Cl)O)O 240690a_100000182051_200000078382 [0,2,0,0,0,0|2,0,0]=4 2015 B16R1.3548 O=C(NCCCO)c1cc(c(c(c1)O)Br)O 240690a_100000182051_100009812877 [0,2,0,0,0,0|2,0,0]=4 2016 B16R1.3548 O=C(NCCCO)c1cc(c(c(c1)O)Cl)O 240690a_100000182051_100000074654 [0,2,0,0,0,0|2,0,0]=4 2017 B16R1.3548 O=C(NNCCO)c1cc(c(c(c1)Br)O)O 22a_100000210001_200009992764 [0,2,0,0,0,0|2,0,0]=4 2018 B16R1.3548 O=C(NNCCO)c1cc(c(c(c1)Cl)O)O 22a_100000210001_200000078382 [0,2,0,0,0,0|2,0,0]=4 2019 B16R1.3548 O=C(NNCCO)c1cc(c(c(c1)O)Br)O 22a_100000210001_100009812877 [0,2,0,0,0,0|2,0,0]=4 2020 B16R1.3548 O=C(NNCCO)c1cc(c(c(c1)O)Cl)O 22a_100000210001_100000074654 [0,2,0,0,0,0|2,0,0]=4 2021 B16R1.3548 O=C(NNCCO)c1cc(c(c(c1)O)O)O 22a_100000210001_100000212154 [0,2,0,0,0,0|1,0,0]=3 2022 B16R1.14848 C#CC(C)NC(=O)c1cc(c(c(c1)Br)O)O 240690a_100000707721_200009992764 [0,2,0,0,0,0|2,0,0]=4 2023 B16R1.14848 C#CC(C)NC(=O)c1cc(c(c(c1)Cl)O)O 240690a_100000707721_200000078382 [0,2,0,0,0,0|2,0,0]=4 2024 B16R1.14848 C#CC(C)NC(=O)c1cc(c(c(c1)O)Br)O 240690a_100000707721_100009812877 [0,2,0,0,0,0|2,0,0]=4 2025 B16R1.14848 C#CC(C)NC(=O)c1cc(c(c(c1)O)C)O 240690a_100000707721_100000031928 [0,2,0,0,0,0|2,0,0]=4 2026 B16R1.14848 C#CC(C)NC(=O)c1cc(c(c(c1)O)C)O 527a_100000707721_100000031928 [0,2,0,0,0,0|2,0,0]=4 2027 B16R1.14848 C#CC(C)NC(=O)c1cc(c(c(c1)O)Cl)O 240690a_100000707721_100000074654 [0,2,0,0,0,0|2,0,0]=4 2028 B16R1.14848 CCC(=O)CC(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100000747405 [0,2,0,0,0,0|2,0,0]=4 2029 B16R1.14848 CCC(=O)CC(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100000747405 [0,2,0,0,0,0|2,0,0]=4 2030 B16R1.14848 CCC(=O)CC(=O)c1cc(c(c(c1)O)C)O 1458a_100000031928_100000747405 [0,2,0,0,0,0|2,0,0]=4 2031 B16R1.14848 CCC(=O)CC(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_100000747405 [0,2,0,0,0,0|2,0,0]=4 2032 B16R1.14848 CCC(=O)CC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000747405 [0,2,0,0,0,0|1,0,0]=3 2033 B16R1.14848 CCC(C)CC(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100000748023 [0,2,0,0,0,0|2,0,0]=4 2034 B16R1.14848 CCC(C)CC(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100000748023 [0,2,0,0,0,0|2,0,0]=4 2035 B16R1.14848 CCC(C)CC(=O)c1cc(c(c(c1)O)C)O 1458a_100000031928_100000748023 [0,2,0,0,0,0|2,0,0]=4 2036 B16R1.14848 CCC(C)CC(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_100000748023 [0,2,0,0,0,0|2,0,0]=4 2037 B16R1.14848 CCC(C)CC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000748023 [0,2,0,0,0,0|1,0,0]=3 2038 B16R1.14848 CCC(C)NC(=O)c1cc(c(c(c1)Br)O)O 240690a_100000209981_200009992764 [0,2,0,0,0,0|2,0,0]=4 2039 B16R1.14848 CCC(C)NC(=O)c1cc(c(c(c1)Cl)O)O 240690a_100000209981_200000078382 [0,2,0,0,0,0|2,0,0]=4 2040 B16R1.14848 CCC(C)NC(=O)c1cc(c(c(c1)O)Br)O 240690a_100000209981_100009812877 [0,2,0,0,0,0|2,0,0]=4 2041 B16R1.14848 CCC(C)NC(=O)c1cc(c(c(c1)O)C)O 240690a_100000209981_100000031928 [0,2,0,0,0,0|2,0,0]=4 2042 B16R1.14848 CCC(C)NC(=O)c1cc(c(c(c1)O)C)O 527a_100000209981_100000031928 [0,2,0,0,0,0|2,0,0]=4 2043 B16R1.14848 CCC(C)NC(=O)c1cc(c(c(c1)O)Cl)O 240690a_100000209981_100000074654 [0,2,0,0,0,0|2,0,0]=4 2044 B16R1.14848 CCC(O)CC(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100011218378 [0,2,0,0,0,0|2,0,0]=4 2045 B16R1.14848 CCC(O)CC(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100011218378 [0,2,0,0,0,0|2,0,0]=4 2046 B16R1.14848 CCC(O)CC(=O)c1cc(c(c(c1)O)C)O 1458a_100000031928_100011218378 [0,2,0,0,0,0|2,0,0]=4 2047 B16R1.14848 CCC(O)CC(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_100011218378 [0,2,0,0,0,0|2,0,0]=4 2048 B16R1.14848 CCC(O)CC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100011218378 [0,2,0,0,0,0|1,0,0]=3 2049 B16R1.14848 CC[C@H](C)CC(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100009816398 [0,2,0,0,0,0|2,0,0]=4 2050 B16R1.14848 CC[C@H](C)CC(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100009816398 [0,2,0,0,0,0|2,0,0]=4 2051 B16R1.14848 CC[C@H](C)CC(=O)c1cc(c(c(c1)O)C)O 1458a_100000031928_100009816398 [0,2,0,0,0,0|2,0,0]=4 2052 B16R1.14848 CC[C@H](C)CC(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_100009816398 [0,2,0,0,0,0|2,0,0]=4 2053 B16R1.14848 CC[C@H](C)CC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100009816398 [0,2,0,0,0,0|1,0,0]=3 2054 B16R1.14848 CNC(=O)CC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000183359 [0,2,0,0,0,0|1,0,1]=4 2055 B16R1.14848 COC(=O)CC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000747449 [0,2,0,0,0,0|1,0,1]=4 2056 B16R1.14848 C[C@@H](CO)CC(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100000059175 [0,2,0,0,0,0|2,0,0]=4 2057 B16R1.14848 C[C@@H](CO)CC(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100000059175 [0,2,0,0,0,0|2,0,0]=4 2058 B16R1.14848 C[C@@H](CO)CC(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_100000059175 [0,2,0,0,0,0|2,0,0]=4 2059 B16R1.14848 C[C@@H](CO)CC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000059175 [0,2,0,0,0,0|1,0,0]=3 2060 B16R1.14848 C[C@H](CF)NC(=O)c1cc(c(c(c1)Br)O)O 240690a_100102880703_200009992764 [0,2,0,0,0,0|2,0,0]=4 2061 B16R1.14848 C[C@H](CF)NC(=O)c1cc(c(c(c1)Cl)O)O 240690a_100102880703_200000078382 [0,2,0,0,0,0|2,0,0]=4 2062 B16R1.14848 C[C@H](CF)NC(=O)c1cc(c(c(c1)O)Br)O 240690a_100102880703_100009812877 [0,2,0,0,0,0|2,0,0]=4 2063 B16R1.14848 C[C@H](CF)NC(=O)c1cc(c(c(c1)O)Cl)O 240690a_100102880703_100000074654 [0,2,0,0,0,0|2,0,0]=4 2064 B16R1.14848 C[C@H](CO)NC(=O)c1cc(c(c(c1)Br)O)O 240690a_100000737577_200009992764 [0,2,0,0,0,0|2,0,0]=4 2065 B16R1.14848 C[C@H](CO)NC(=O)c1cc(c(c(c1)Cl)O)O 240690a_100000737577_200000078382 [0,2,0,0,0,0|2,0,0]=4 2066 B16R1.14848 C[C@H](CO)NC(=O)c1cc(c(c(c1)O)Br)O 240690a_100000737577_100009812877 [0,2,0,0,0,0|2,0,0]=4 2067 B16R1.14848 C[C@H](CO)NC(=O)c1cc(c(c(c1)O)Cl)O 240690a_100000737577_100000074654 [0,2,0,0,0,0|2,0,0]=4 2068 B16R1.14848 Cc1c(cc(cc1O)C(=O)C[C@@H](C)CO)O 1458a_100000031928_100000059175 [0,2,0,0,0,0|2,0,0]=4 2069 B16R1.14848 Cc1c(cc(cc1O)C(=O)NC(C)C#N)O 527a_100000737613_100000031928 [0,2,0,0,0,0|2,0,0]=4 2070 B16R1.14848 Cc1c(cc(cc1O)C(=O)N[C@H](C)CF)O 240690a_100102880703_100000031928 [0,2,0,0,0,0|2,0,0]=4 2071 B16R1.14848 Cc1c(cc(cc1O)C(=O)N[C@H](C)CF)O 527a_100102880703_100000031928 [0,2,0,0,0,0|2,0,0]=4 2072 B16R1.14848 Cc1c(cc(cc1O)C(=O)N[C@H](C)CO)O 240690a_100000737577_100000031928 [0,2,0,0,0,0|2,0,0]=4 2073 B16R1.14848 Cc1c(cc(cc1O)C(=O)N[C@H](C)CO)O 527a_100000737577_100000031928 [0,2,0,0,0,0|2,0,0]=4 2074 B16R1.52957 C=C(C)CCC(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100000730704 [0,2,0,0,0,0|2,0,0]=4 2075 B16R1.52957 C=C(C)CCC(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100000730704 [0,2,0,0,0,0|2,0,0]=4 2076 B16R1.52957 C=C(C)CCC(=O)c1cc(c(c(c1)O)C)O 1458a_100000031928_100000730704 [0,2,0,0,0,0|2,0,0]=4 2077 B16R1.52957 C=C(C)CCC(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_100000730704 [0,2,0,0,0,0|2,0,0]=4 2078 B16R1.52957 C=C(C)CCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000730704 [0,2,0,0,0,0|1,0,0]=3 2079 B16R1.52957 C=C(C)CNC(=O)c1cc(c(c(c1)Br)O)O 240690a_100000765925_200009992764 [0,2,0,0,0,0|2,0,0]=4 2080 B16R1.52957 C=C(C)CNC(=O)c1cc(c(c(c1)Cl)O)O 240690a_100000765925_200000078382 [0,2,0,0,0,0|2,0,0]=4 2081 B16R1.52957 C=C(C)CNC(=O)c1cc(c(c(c1)O)Br)O 240690a_100000765925_100009812877 [0,2,0,0,0,0|2,0,0]=4 2082 B16R1.52957 C=C(C)CNC(=O)c1cc(c(c(c1)O)C)O 240690a_100000765925_100000031928 [0,2,0,0,0,0|2,0,0]=4 2083 B16R1.52957 C=C(C)CNC(=O)c1cc(c(c(c1)O)C)O 527a_100000765925_100000031928 [0,2,0,0,0,0|2,0,0]=4 2084 B16R1.52957 C=C(C)CNC(=O)c1cc(c(c(c1)O)Cl)O 240690a_100000765925_100000074654 [0,2,0,0,0,0|2,0,0]=4 2085 B16R1.52957 CC(=CCC(=O)c1cc(c(c(c1)O)O)O)C 1458a_100000212154_100000761012 [0,2,0,0,0,0|1,0,1]=4 2086 B16R1.52957 CC(=O)NNC(=O)c1cc(c(c(c1)O)O)O 22a_100000189765_100000212154 [0,2,0,0,0,0|1,0,1]=4 2087 B16R1.52957 CC(C)CCC(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100000210312 [0,2,0,0,0,0|2,0,0]=4 2088 B16R1.52957 CC(C)CCC(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100000210312 [0,2,0,0,0,0|2,0,0]=4 2089 B16R1.52957 CC(C)CCC(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_100000210312 [0,2,0,0,0,0|2,0,0]=4 2090 B16R1.52957 CC(C)CCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000210312 [0,2,0,0,0,0|1,0,0]=3 2091 B16R1.52957 CC(C)CNC(=O)c1cc(c(c(c1)Br)O)O 240690a_100000210953_200009992764 [0,2,0,0,0,0|2,0,0]=4 2092 B16R1.52957 CC(C)CNC(=O)c1cc(c(c(c1)Cl)O)O 240690a_100000210953_200000078382 [0,2,0,0,0,0|2,0,0]=4 2093 B16R1.52957 CC(C)CNC(=O)c1cc(c(c(c1)O)Br)O 240690a_100000210953_100009812877 [0,2,0,0,0,0|2,0,0]=4 2094 B16R1.52957 CC(C)CNC(=O)c1cc(c(c(c1)O)Cl)O 240690a_100000210953_100000074654 [0,2,0,0,0,0|2,0,0]=4 2095 B16R1.52957 CC(C)NNC(=O)c1cc(c(c(c1)Br)O)O 22a_100000741168_200009992764 [0,2,0,0,0,0|2,0,0]=4 2096 B16R1.52957 CC(C)NNC(=O)c1cc(c(c(c1)Cl)O)O 22a_100000741168_200000078382 [0,2,0,0,0,0|2,0,0]=4 2097 B16R1.52957 CC(C)NNC(=O)c1cc(c(c(c1)O)Br)O 22a_100000741168_100009812877 [0,2,0,0,0,0|2,0,0]=4 2098 B16R1.52957 CC(C)NNC(=O)c1cc(c(c(c1)O)Cl)O 22a_100000741168_100000074654 [0,2,0,0,0,0|2,0,0]=4 2099 B16R1.52957 CC(C)NNC(=O)c1cc(c(c(c1)O)O)O 22a_100000741168_100000212154 [0,2,0,0,0,0|1,0,0]=3 2100 B16R1.52957 CC(O)CCC(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100012276601 [0,2,0,0,0,0|2,0,0]=4 2101 B16R1.52957 CC(O)CCC(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100012276601 [0,2,0,0,0,0|2,0,0]=4 2102 B16R1.52957 CC(O)CCC(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_100012276601 [0,2,0,0,0,0|2,0,0]=4 2103 B16R1.52957 CC(O)CCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100012276601 [0,2,0,0,0,0|1,0,0]=3 2104 B16R1.52957 CC(O)CNC(=O)c1cc(c(c(c1)Br)O)O 240690a_100000210904_200009992764 [0,2,0,0,0,0|2,0,0]=4 2105 B16R1.52957 CC(O)CNC(=O)c1cc(c(c(c1)Cl)O)O 240690a_100000210904_200000078382 [0,2,0,0,0,0|2,0,0]=4 2106 B16R1.52957 CC(O)CNC(=O)c1cc(c(c(c1)O)Br)O 240690a_100000210904_100009812877 [0,2,0,0,0,0|2,0,0]=4 2107 B16R1.52957 CC(O)CNC(=O)c1cc(c(c(c1)O)Cl)O 240690a_100000210904_100000074654 [0,2,0,0,0,0|2,0,0]=4 2108 B16R1.52957 Cc1c(cc(cc1O)C(=O)CCC(C)C)O 1458a_100000031928_100000210312 [0,2,0,0,0,0|2,0,0]=4 2109 B16R1.52957 Cc1c(cc(cc1O)C(=O)CCC(C)O)O 1458a_100000031928_100012276601 [0,2,0,0,0,0|2,0,0]=4 2110 B16R1.52957 Cc1c(cc(cc1O)C(=O)NCC(C)C)O 240690a_100000210953_100000031928 [0,2,0,0,0,0|2,0,0]=4 2111 B16R1.52957 Cc1c(cc(cc1O)C(=O)NCC(C)C)O 527a_100000210953_100000031928 [0,2,0,0,0,0|2,0,0]=4 2112 B16R1.52957 Cc1c(cc(cc1O)C(=O)NCC(C)O)O 240690a_100000210904_100000031928 [0,2,0,0,0,0|2,0,0]=4 2113 B16R1.52957 Cc1c(cc(cc1O)C(=O)NCC(C)O)O 527a_100000210904_100000031928 [0,2,0,0,0,0|2,0,0]=4 2114 B16R1.52957 Cc1c(cc(cc1O)C(=O)NCC(F)F)O 240690a_100000765723_100000031928 [0,2,0,0,0,0|2,0,0]=4 2115 B16R1.52957 Cc1c(cc(cc1O)C(=O)NCC(F)F)O 527a_100000765723_100000031928 [0,2,0,0,0,0|2,0,0]=4 2116 B16R1.52957 Cc1c(cc(cc1O)C(=O)NNC(C)C)O 22a_100000741168_100000031928 [0,2,0,0,0,0|2,0,0]=4 2117 B16R1.52957 O=C(NCC(F)F)c1cc(c(c(c1)Br)O)O 240690a_100000765723_200009992764 [0,2,0,0,0,0|2,0,0]=4 2118 B16R1.52957 O=C(NCC(F)F)c1cc(c(c(c1)Cl)O)O 240690a_100000765723_200000078382 [0,2,0,0,0,0|2,0,0]=4 2119 B16R1.52957 O=C(NCC(F)F)c1cc(c(c(c1)O)Br)O 240690a_100000765723_100009812877 [0,2,0,0,0,0|2,0,0]=4 2120 B16R1.52957 O=C(NCC(F)F)c1cc(c(c(c1)O)Cl)O 240690a_100000765723_100000074654 [0,2,0,0,0,0|2,0,0]=4 2121 B16R1.89785 C#CCCC(=O)c1cc(c(c(c1)OC)O)O 1458a_100000061230_100000753159 [0,2,0,0,0,0|1,0,1]=4 2122 B16R1.89785 C/C=C/CC(=O)c1cc(c(c(c1)OC)O)O 1458a_100000061230_100102629194 [0,2,0,0,0,0|1,0,1]=4 2123 B16R1.89785 C=CCCC(=O)c1cc(c(c(c1)OC)O)O 1458a_100000061230_100000754431 [0,2,0,0,0,0|1,0,1]=4 2124 B16R1.89785 CC#CCC(=O)c1cc(c(c(c1)OC)O)O 1458a_100000061230_100000748600 [0,2,0,0,0,0|1,0,1]=4 2125 B16R1.89785 CC=CCC(=O)c1cc(c(c(c1)OC)O)O 1458a_100000061230_100000070051 [0,2,0,0,0,0|1,0,1]=4 2126 B16R1.89785 CCCCC(=O)c1cc(c(c(c1)OC)O)Cl 1458a_100000209947_100000210211 [0,2,0,0,0,0|2,0,0]=4 2127 B16R1.89785 CCCCC(=O)c1cc(c(c(c1)OC)O)O 1458a_100000061230_100000210211 [0,2,0,0,0,0|1,0,0]=3 2128 B16R1.89785 CCCNC(=O)c1cc(c(c(c1)OC)O)Cl 240690a_100020643023_100000209947 [0,2,0,0,0,0|2,0,0]=4 2129 B16R1.89785 CCNNC(=O)c1cc(c(c(c1)OC)O)Cl 22a_100000756455_100000209947 [0,2,0,0,0,0|2,0,0]=4 2130 B16R1.89785 CCNNC(=O)c1cc(c(c(c1)OC)O)O 22a_100000756455_100000061230 [0,2,0,0,0,0|1,0,0]=3 2131 B16R1.89785 COCCC(=O)c1cc(c(c(c1)OC)O)Cl 1458a_100000209947_100000233755 [0,2,0,0,0,0|2,0,0]=4 2132 B16R1.89785 COCCC(=O)c1cc(c(c(c1)OC)O)O 1458a_100000061230_100000233755 [0,2,0,0,0,0|1,0,0]=3 2133 B16R1.89785 COc1cc(cc(c1O)Cl)C(=O)CCCF 1458a_100000209947_100011934791 [0,2,0,0,0,0|2,0,0]=4 2134 B16R1.89785 COc1cc(cc(c1O)Cl)C(=O)CCCO 1458a_100000209947_100011215043 [0,2,0,0,0,0|2,0,0]=4 2135 B16R1.89785 COc1cc(cc(c1O)Cl)C(=O)CCSC 1458a_100000209947_100000751147 [0,2,0,0,0,0|2,0,0]=4 2136 B16R1.89785 COc1cc(cc(c1O)Cl)C(=O)NCCF 240690a_100000724931_100000209947 [0,2,0,0,0,0|2,0,0]=4 2137 B16R1.89785 COc1cc(cc(c1O)Cl)C(=O)NCCO 240690a_100000210304_100000209947 [0,2,0,0,0,0|2,0,0]=4 2138 B16R1.89785 COc1cc(cc(c1O)O)C(=O)CCC#N 1458a_100000061230_100011215226 [0,2,0,0,0,0|1,0,1]=4 2139 B16R1.89785 COc1cc(cc(c1O)O)C(=O)CCCF 1458a_100000061230_100011934791 [0,2,0,0,0,0|1,0,0]=3 2140 B16R1.89785 COc1cc(cc(c1O)O)C(=O)CCCO 1458a_100000061230_100011215043 [0,2,0,0,0,0|1,0,0]=3 2141 B16R1.89785 COc1cc(cc(c1O)O)C(=O)CCSC 1458a_100000061230_100000751147 [0,2,0,0,0,0|1,0,0]=3 2142 B16R1.89786 C#CCCC(=O)c1cc(c(c(c1)O)OC)O 1458a_100000073573_100000753159 [0,2,0,0,0,0|1,0,1]=4 2143 B16R1.89786 C/C=C/CC(=O)c1cc(c(c(c1)O)OC)O 1458a_100000073573_100102629194 [0,2,0,0,0,0|1,0,1]=4 2144 B16R1.89786 C=CCCC(=O)c1cc(c(c(c1)O)OC)O 1458a_100000073573_100000754431 [0,2,0,0,0,0|1,0,1]=4 2145 B16R1.89786 CC#CCC(=O)c1cc(c(c(c1)O)OC)O 1458a_100000073573_100000748600 [0,2,0,0,0,0|1,0,1]=4 2146 B16R1.89786 CC=CCC(=O)c1cc(c(c(c1)O)OC)O 1458a_100000073573_100000070051 [0,2,0,0,0,0|1,0,1]=4 2147 B16R1.89786 CCCCC(=O)c1cc(c(c(c1)Br)OC)O 1458a_100010760816_100000210211 [0,2,0,0,0,0|2,0,0]=4 2148 B16R1.89786 CCCCC(=O)c1cc(c(c(c1)O)OC)O 1458a_100000073573_100000210211 [0,2,0,0,0,0|1,0,0]=3 2149 B16R1.89786 CCCNC(=O)c1cc(c(c(c1)Br)OC)O 240690a_100020643023_100010760816 [0,2,0,0,0,0|2,0,0]=4 2150 B16R1.89786 CCCNC(=O)c1cc(c(c(c1)Br)OC)O 527a_100020643023_100010760816 [0,2,0,0,0,0|2,0,0]=4 2151 B16R1.89786 CCNNC(=O)c1cc(c(c(c1)Br)OC)O 22a_100000756455_100010760816 [0,2,0,0,0,0|2,0,0]=4 2152 B16R1.89786 CCNNC(=O)c1cc(c(c(c1)O)OC)O 22a_100000756455_100000073573 [0,2,0,0,0,0|1,0,0]=3 2153 B16R1.89786 COCCC(=O)c1cc(c(c(c1)Br)OC)O 1458a_100010760816_100000233755 [0,2,0,0,0,0|2,0,0]=4 2154 B16R1.89786 COCCC(=O)c1cc(c(c(c1)O)OC)O 1458a_100000073573_100000233755 [0,2,0,0,0,0|1,0,0]=3 2155 B16R1.89786 COc1c(cc(cc1Br)C(=O)CCCF)O 1458a_100010760816_100011934791 [0,2,0,0,0,0|2,0,0]=4 2156 B16R1.89786 COc1c(cc(cc1Br)C(=O)CCCO)O 1458a_100010760816_100011215043 [0,2,0,0,0,0|2,0,0]=4 2157 B16R1.89786 COc1c(cc(cc1Br)C(=O)CCSC)O 1458a_100010760816_100000751147 [0,2,0,0,0,0|2,0,0]=4 2158 B16R1.89786 COc1c(cc(cc1Br)C(=O)NCCF)O 240690a_100000724931_100010760816 [0,2,0,0,0,0|2,0,0]=4 2159 B16R1.89786 COc1c(cc(cc1Br)C(=O)NCCF)O 527a_100000724931_100010760816 [0,2,0,0,0,0|2,0,0]=4 2160 B16R1.89786 COc1c(cc(cc1Br)C(=O)NCCO)O 240690a_100000210304_100010760816 [0,2,0,0,0,0|2,0,0]=4 2161 B16R1.89786 COc1c(cc(cc1Br)C(=O)NCCO)O 527a_100000210304_100010760816 [0,2,0,0,0,0|2,0,0]=4 2162 B16R1.89786 COc1c(cc(cc1O)C(=O)CCC#N)O 1458a_100000073573_100011215226 [0,2,0,0,0,0|1,0,1]=4 2163 B16R1.89786 COc1c(cc(cc1O)C(=O)CCCF)O 1458a_100000073573_100011934791 [0,2,0,0,0,0|1,0,0]=3 2164 B16R1.89786 COc1c(cc(cc1O)C(=O)CCCO)O 1458a_100000073573_100011215043 [0,2,0,0,0,0|1,0,0]=3 2165 B16R1.89786 COc1c(cc(cc1O)C(=O)CCSC)O 1458a_100000073573_100000751147 [0,2,0,0,0,0|1,0,0]=3 2166 B16R1.64527 CCOC(=O)c1cc(c(c(c1F)OC)F)F 34a_200011302609_200000210301 [0,2,0,0,0,0|2,0,0]=4 2167 B16R1.64527 CCOC(=O)c1cc(c(c(c1F)OC)F)F 7a_200011302609_200000210301 [0,2,0,0,0,0|2,0,0]=4 2168 B16R1.64527 CCOC(=O)c1cc(c(c(c1F)O[13CH3])F)F 34a_200011302609_200025704644 [0,2,0,0,0,0|2,0,0]=4 2169 B16R1.64527 CCOC(=O)c1cc(c(c(c1F)O[13CH3])F)F 7a_200011302609_200025704644 [0,2,0,0,0,0|2,0,0]=4 2170 B16R1.64528 CCCC(=O)c1cc(c(c(c1Cl)Cl)O)OC 1458a_200000065980_100000210303 [0,2,0,0,0,0|2,0,0]=4 2171 B16R1.64528 CCNC(=O)c1cc(c(c(c1Cl)Cl)O)OC 240690a_100015525214_200000065980 [0,2,0,0,0,0|2,0,0]=4 2172 B16R1.64529 CCOC(=O)c1cc(c(c(c1F)F)OC)F 34a_100010189710_200000210301 [0,2,0,0,0,0|2,0,0]=4 2173 B16R1.64529 CCOC(=O)c1cc(c(c(c1F)F)OC)F 7a_100010189710_200000210301 [0,2,0,0,0,0|2,0,0]=4 2174 B16R1.64529 CCOC(=O)c1cc(c(c(c1F)F)O[13CH3])F 34a_100010189710_200025704644 [0,2,0,0,0,0|2,0,0]=4 2175 B16R1.64529 CCOC(=O)c1cc(c(c(c1F)F)O[13CH3])F 7a_100010189710_200025704644 [0,2,0,0,0,0|2,0,0]=4 2176 B16R1.404 C=C(C)CC(=O)c1cc(c(c(c1)OC)O)O 1458a_100000061230_100000748629 [0,2,0,0,0,0|1,0,1]=4 2177 B16R1.404 COc1cc(cc(c1O)Cl)C(=O)CC(C)C 1458a_100000209947_100000210624 [0,2,0,0,0,0|2,0,0]=4 2178 B16R1.404 COc1cc(cc(c1O)Cl)C(=O)CC(C)O 1458a_100000209947_100011218427 [0,2,0,0,0,0|2,0,0]=4 2179 B16R1.404 COc1cc(cc(c1O)Cl)C(=O)NC(C)C 240690a_100138425928_100000209947 [0,2,0,0,0,0|2,0,0]=4 2180 B16R1.404 COc1cc(cc(c1O)O)C(=O)CC(C)C 1458a_100000061230_100000210624 [0,2,0,0,0,0|1,0,0]=3 2181 B16R1.404 COc1cc(cc(c1O)O)C(=O)CC(C)O 1458a_100000061230_100011218427 [0,2,0,0,0,0|1,0,0]=3 2182 B16R1.404 COc1cc(cc(c1O)O)C(=O)CC(F)F 1458a_100000061230_100011934356 [0,2,0,0,0,0|2,0,0]=4 2183 B16R1.36365 C=C(C)CC(=O)c1cc(c(c(c1)O)OC)O 1458a_100000073573_100000748629 [0,2,0,0,0,0|1,0,1]=4 2184 B16R1.36365 COc1c(cc(cc1Br)C(=O)CC(C)C)O 1458a_100010760816_100000210624 [0,2,0,0,0,0|2,0,0]=4 2185 B16R1.36365 COc1c(cc(cc1Br)C(=O)CC(C)O)O 1458a_100010760816_100011218427 [0,2,0,0,0,0|2,0,0]=4 2186 B16R1.36365 COc1c(cc(cc1Br)C(=O)NC(C)C)O 240690a_100138425928_100010760816 [0,2,0,0,0,0|2,0,0]=4 2187 B16R1.36365 COc1c(cc(cc1Br)C(=O)NC(C)C)O 527a_100138425928_100010760816 [0,2,0,0,0,0|2,0,0]=4 2188 B16R1.36365 COc1c(cc(cc1O)C(=O)CC(C)C)O 1458a_100000073573_100000210624 [0,2,0,0,0,0|1,0,0]=3 2189 B16R1.36365 COc1c(cc(cc1O)C(=O)CC(C)O)O 1458a_100000073573_100011218427 [0,2,0,0,0,0|1,0,0]=3 2190 B16R1.36365 COc1c(cc(cc1O)C(=O)CC(F)F)O 1458a_100000073573_100011934356 [0,2,0,0,0,0|2,0,0]=4 2191 B16R1.44806 CC(C)(C)NC(=O)c1cc(c(c(c1)Br)O)O 240690a_100000715429_200009992764 [0,2,0,0,0,0|2,0,0]=4 2192 B16R1.44806 CC(C)(C)NC(=O)c1cc(c(c(c1)Cl)O)O 240690a_100000715429_200000078382 [0,2,0,0,0,0|2,0,0]=4 2193 B16R1.44806 CC(C)(C)NC(=O)c1cc(c(c(c1)O)Br)O 240690a_100000715429_100009812877 [0,2,0,0,0,0|2,0,0]=4 2194 B16R1.44806 CC(C)(C)NC(=O)c1cc(c(c(c1)O)Cl)O 240690a_100000715429_100000074654 [0,2,0,0,0,0|2,0,0]=4 2195 B16R1.44806 CS(=O)(=O)NC(=O)c1cc(c(c(c1)O)O)O 2740a_100000171171_100000212154 [0,2,0,0,0,0|2,0,0]=4 2196 B16R1.44806 C[Si](C)(C)CC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000233785 [0,2,0,0,0,0|1,1,0]=4 2197 B16R1.44806 Cc1c(cc(cc1O)C(=O)NC(C)(C)C)O 240690a_100000715429_100000031928 [0,2,0,0,0,0|2,0,0]=4 2198 B16R1.44806 Cc1c(cc(cc1O)C(=O)NC(C)(C)C)O 527a_100000715429_100000031928 [0,2,0,0,0,0|2,0,0]=4 2199 B16R1.4012 CCCC(=O)c1cc(c(c(c1)OCC)O)Cl 1458a_100000010658_100000210303 [0,2,0,0,0,0|2,0,0]=4 2200 B16R1.4012 CCNC(=O)c1cc(c(c(c1)OCC)O)Cl 240690a_100015525214_100000010658 [0,2,0,0,0,0|2,0,0]=4 2201 B16R1.64535 CCCC(=O)c1cc(c(c(c1)OC)Br)OC 1458a_100000212323_100000210303 [0,2,0,0,0,0|2,0,0]=4 2202 B16R1.64535 CCCC(=O)c1cc(c(c(c1)OC)C)OC 1458a_100000211643_100000210303 [0,2,0,0,0,0|2,0,0]=4 2203 B16R1.64535 CCCC(=O)c1cc(c(c(c1)OC)O)OC 1458a_100000692901_100000210303 [0,2,0,0,0,0|1,0,0]=3 2204 B16R1.64535 CCNC(=O)c1cc(c(c(c1)OC)Br)OC 11a_100015525214_100000212323 [0,2,0,0,0,0|2,0,0]=4 2205 B16R1.64535 CCNC(=O)c1cc(c(c(c1)OC)Br)OC 240690a_100015525214_100000212323 [0,2,0,0,0,0|2,0,0]=4 2206 B16R1.64535 CCNC(=O)c1cc(c(c(c1)OC)Br)OC 527a_100015525214_100000212323 [0,2,0,0,0,0|2,0,0]=4 2207 B16R1.64535 CCNC(=O)c1cc(c(c(c1)OC)C)OC 11a_100015525214_100000211643 [0,2,0,0,0,0|2,0,0]=4 2208 B16R1.64535 CCNC(=O)c1cc(c(c(c1)OC)C)OC 240690a_100015525214_100000211643 [0,2,0,0,0,0|2,0,0]=4 2209 B16R1.64535 CCNC(=O)c1cc(c(c(c1)OC)C)OC 527a_100015525214_100000211643 [0,2,0,0,0,0|2,0,0]=4 2210 B16R1.64535 CCNC(=O)c1cc(c(c(c1)OC)O)OC 240690a_100015525214_100000692901 [0,2,0,0,0,0|1,0,0]=3 2211 B16R1.64535 CCNC(=O)c1cc(c(c(c1)OC)O)OC 527a_100015525214_100000692901 [0,2,0,0,0,0|1,0,0]=3 2212 B16R1.64535 CNNC(=O)c1cc(c(c(c1)OC)O)OC 22a_100016993582_100000692901 [0,2,0,0,0,0|2,0,0]=4 2213 B16R1.64535 COc1cc(cc(c1O)OC)C(=O)CCF 1458a_100000692901_100011217306 [0,2,0,0,0,0|2,0,0]=4 2214 B16R1.64535 COc1cc(cc(c1O)OC)C(=O)CCO 1458a_100000692901_100000211926 [0,2,0,0,0,0|2,0,0]=4 2215 B16R1.64536 CCCC(=O)c1cc(c(c(c1)OC)OC)Cl 1458a_100000180162_100000210303 [0,2,0,0,0,0|2,0,0]=4 2216 B16R1.64536 CCCC(=O)c1cc(c(c(c1)OC)OC)O 1458a_100000032013_100000210303 [0,2,0,0,0,0|1,0,0]=3 2217 B16R1.64536 CCNC(=O)c1cc(c(c(c1)OC)OC)Cl 11a_100015525214_100000180162 [0,2,0,0,0,0|2,0,0]=4 2218 B16R1.64536 CCNC(=O)c1cc(c(c(c1)OC)OC)Cl 240690a_100015525214_100000180162 [0,2,0,0,0,0|2,0,0]=4 2219 B16R1.64536 CCNC(=O)c1cc(c(c(c1)OC)OC)Cl 527a_100015525214_100000180162 [0,2,0,0,0,0|2,0,0]=4 2220 B16R1.64536 CCNC(=O)c1cc(c(c(c1)OC)OC)O 240690a_100015525214_100000032013 [0,2,0,0,0,0|1,0,0]=3 2221 B16R1.64536 CCNC(=O)c1cc(c(c(c1)OC)OC)O 527a_100015525214_100000032013 [0,2,0,0,0,0|1,0,0]=3 2222 B16R1.64536 CNNC(=O)c1cc(c(c(c1)OC)OC)O 22a_100016993582_100000032013 [0,2,0,0,0,0|2,0,0]=4 2223 B16R1.64536 COc1cc(cc(c1OC)O)C(=O)CCF 1458a_100000032013_100011217306 [0,2,0,0,0,0|2,0,0]=4 2224 B16R1.64536 COc1cc(cc(c1OC)O)C(=O)CCO 1458a_100000032013_100000211926 [0,2,0,0,0,0|2,0,0]=4 2225 B16R1.64539 CCCC(=O)c1cc(c(c(c1)[N+](=O)[O-])O)O 1458a_100009843786_100000210303 [0,2,0,0,0,0|1,0,1]=4 2226 B16R1.64539 CCNC(=O)c1cc(c(c(c1)[N+](=O)[O-])O)O 240690a_100015525214_100009843786 [0,2,0,0,0,0|1,0,1]=4 2227 B16R1.47583 CCOC(=O)c1cc(c(c(c1)Br)OCC)Br 7a_100010164392_100000210202 [0,2,0,0,0,0|2,0,0]=4 2228 B16R1.47583 CCOC(=O)c1cc(c(c(c1)Br)OCF)Br 7a_100010164392_100015361967 [0,2,0,0,0,0|2,0,0]=4 2229 B16R1.47583 CCOC(=O)c1cc(c(c(c1)Cl)OCC)Cl 7a_100000172512_100000210202 [0,2,0,0,0,0|2,0,0]=4 2230 B16R1.47583 CCOC(=O)c1cc(c(c(c1)Cl)OCF)Cl 7a_100000172512_100015361967 [0,2,0,0,0,0|2,0,0]=4 2231 B16R1.47583 CCOC(=O)c1cc(c(c(c1)I)OCC)I 7a_100009990389_100000210202 [0,2,0,0,0,0|2,0,0]=4 2232 B16R1.47583 CCOC(=O)c1cc(c(c(c1)I)OCF)I 7a_100009990389_100015361967 [0,2,0,0,0,0|2,0,0]=4 2233 B14R2.249 Oc1cc(cc(c1)C2=CCCC2)O 271570a_100000089523_100009868816 [1,0,0,1,0,0|2,0,0]=4 2234 B14R2.8045 O=C1CCCc2c1cc(cc2F)O 271570a_203496583355_100010133405 [1,0,0,1,0,0|2,0,0]=4 2235 B14R2.8045 O=C1NCCc2c1cc(cc2F)O 271570a_203496583355_100000698053 [1,0,0,1,0,0|2,0,0]=4 2236 B14R2.20636 C=C(c1cc(cc(c1)O)O)C2CC2 271570a_100010895485_100009868816 [1,0,0,1,0,0|2,0,0]=4 2237 B14R2.70 Oc1ccc(cc1O)C2=CCCC2 271570a_100000089523_100009813601 [1,0,0,1,0,0|2,0,0]=4 2238 B14R2.954 C=C(c1ccc(c(c1)O)O)C2CC2 271570a_100010895485_100009813601 [1,0,0,1,0,0|2,0,0]=4 2239 B14R2.28472 Cc1cc2c(cc1O)C(=O)CCC2 271570a_203496583355_100010011086 [1,0,0,1,0,0|2,0,0]=4 2240 B14R2.28472 Cc1cc2c(cc1O)CCCC2=O 271570a_203496583355_100010011082 [1,0,0,1,0,0|2,0,0]=4 2241 B14R2.28472 O=C1CCCc2c1cc(c(c2)F)O 271570a_203496583355_200010133568 [1,0,0,1,0,0|2,0,0]=4 2242 B14R2.28472 O=C1CCCc2c1cc(c(c2)O)F 271570a_203496583355_100010133566 [1,0,0,1,0,0|2,0,0]=4 2243 B16R2.79225 Cc1noc(n1)c2cc(c(c(c2)O)O)O 270196a_100000212224_100000212154 [0,1,0,1,0,0|1,0,1]=4 2244 B16R2.338810 Cc1c(cc(cc1O)C(=O)C2CCC2)O 1458a_100000031928_100000749161 [0,1,0,1,0,0|2,0,0]=4 2245 B16R2.338810 Cc1c(cc(cc1O)C(=O)C2COC2)O 1458a_100000031928_100000687716 [0,1,0,1,0,0|2,0,0]=4 2246 B16R2.338810 Cc1c(cc(cc1O)C(=O)N2CCC2)O 240690a_100000754969_100000031928 [0,1,0,1,0,0|2,0,0]=4 2247 B16R2.338810 Cc1c(cc(cc1O)C(=O)N2CCC2)O 527a_100000754969_100000031928 [0,1,0,1,0,0|2,0,0]=4 2248 B16R2.338810 O=C(c1cc(c(c(c1)Br)O)O)C2CCC2 1458a_200009992764_100000749161 [0,1,0,1,0,0|2,0,0]=4 2249 B16R2.338810 O=C(c1cc(c(c(c1)Br)O)O)C2COC2 1458a_200009992764_100000687716 [0,1,0,1,0,0|2,0,0]=4 2250 B16R2.338810 O=C(c1cc(c(c(c1)Br)O)O)N2CCC2 240690a_100000754969_200009992764 [0,1,0,1,0,0|2,0,0]=4 2251 B16R2.338810 O=C(c1cc(c(c(c1)Cl)O)O)C2CCC2 1458a_200000078382_100000749161 [0,1,0,1,0,0|2,0,0]=4 2252 B16R2.338810 O=C(c1cc(c(c(c1)Cl)O)O)C2COC2 1458a_200000078382_100000687716 [0,1,0,1,0,0|2,0,0]=4 2253 B16R2.338810 O=C(c1cc(c(c(c1)Cl)O)O)N2CCC2 240690a_100000754969_200000078382 [0,1,0,1,0,0|2,0,0]=4 2254 B16R2.338810 O=C(c1cc(c(c(c1)O)Br)O)N2CCC2 240690a_100000754969_100009812877 [0,1,0,1,0,0|2,0,0]=4 2255 B16R2.338810 O=C(c1cc(c(c(c1)O)Cl)O)C2CCC2 1458a_100000074654_100000749161 [0,1,0,1,0,0|2,0,0]=4 2256 B16R2.338810 O=C(c1cc(c(c(c1)O)Cl)O)C2COC2 1458a_100000074654_100000687716 [0,1,0,1,0,0|2,0,0]=4 2257 B16R2.338810 O=C(c1cc(c(c(c1)O)Cl)O)N2CCC2 240690a_100000754969_100000074654 [0,1,0,1,0,0|2,0,0]=4 2258 B16R2.338810 O=C(c1cc(c(c(c1)O)O)O)C2CCC2 1458a_100000212154_100000749161 [0,1,0,1,0,0|1,0,0]=3 2259 B16R2.338810 O=C(c1cc(c(c(c1)O)O)O)C2COC2 1458a_100000212154_100000687716 [0,1,0,1,0,0|1,0,0]=3 2260 B16R2.375760 Cc1c(cc(cc1O)C(=O)CC2CC2)O 1458a_100000031928_100000742324 [0,1,0,1,0,0|2,0,0]=4 2261 B16R2.375760 Cc1c(cc(cc1O)C(=O)CC2CO2)O 1458a_100000031928_100011216344 [0,1,0,1,0,0|2,0,0]=4 2262 B16R2.375760 Cc1c(cc(cc1O)C(=O)CC2CS2)O 1458a_100000031928_100000031435 [0,1,0,1,0,0|2,0,0]=4 2263 B16R2.375760 Cc1c(cc(cc1O)C(=O)C[C@@H]2CO2)O 1458a_100000031928_100000745022 [0,1,0,1,0,0|2,0,0]=4 2264 B16R2.375760 Cc1c(cc(cc1O)C(=O)NC2CC2)O 240690a_100000212008_100000031928 [0,1,0,1,0,0|2,0,0]=4 2265 B16R2.375760 Cc1c(cc(cc1O)C(=O)NC2CC2)O 527a_100000212008_100000031928 [0,1,0,1,0,0|2,0,0]=4 2266 B16R2.375760 O=C(CC1CC1)c2cc(c(c(c2)Br)O)O 1458a_200009992764_100000742324 [0,1,0,1,0,0|2,0,0]=4 2267 B16R2.375760 O=C(CC1CC1)c2cc(c(c(c2)Cl)O)O 1458a_200000078382_100000742324 [0,1,0,1,0,0|2,0,0]=4 2268 B16R2.375760 O=C(CC1CC1)c2cc(c(c(c2)O)Cl)O 1458a_100000074654_100000742324 [0,1,0,1,0,0|2,0,0]=4 2269 B16R2.375760 O=C(CC1CC1)c2cc(c(c(c2)O)O)O 1458a_100000212154_100000742324 [0,1,0,1,0,0|1,0,0]=3 2270 B16R2.375760 O=C(CC1CO1)c2cc(c(c(c2)Br)O)O 1458a_200009992764_100011216344 [0,1,0,1,0,0|2,0,0]=4 2271 B16R2.375760 O=C(CC1CO1)c2cc(c(c(c2)Cl)O)O 1458a_200000078382_100011216344 [0,1,0,1,0,0|2,0,0]=4 2272 B16R2.375760 O=C(CC1CO1)c2cc(c(c(c2)O)Cl)O 1458a_100000074654_100011216344 [0,1,0,1,0,0|2,0,0]=4 2273 B16R2.375760 O=C(CC1CO1)c2cc(c(c(c2)O)O)O 1458a_100000212154_100011216344 [0,1,0,1,0,0|1,0,0]=3 2274 B16R2.375760 O=C(CC1CS1)c2cc(c(c(c2)Br)O)O 1458a_200009992764_100000031435 [0,1,0,1,0,0|2,0,0]=4 2275 B16R2.375760 O=C(CC1CS1)c2cc(c(c(c2)Cl)O)O 1458a_200000078382_100000031435 [0,1,0,1,0,0|2,0,0]=4 2276 B16R2.375760 O=C(CC1CS1)c2cc(c(c(c2)O)Cl)O 1458a_100000074654_100000031435 [0,1,0,1,0,0|2,0,0]=4 2277 B16R2.375760 O=C(CC1CS1)c2cc(c(c(c2)O)O)O 1458a_100000212154_100000031435 [0,1,0,1,0,0|1,0,0]=3 2278 B16R2.375760 O=C(C[C@@H]1CO1)c2cc(c(c(c2)Br)O)O 1458a_200009992764_100000745022 [0,1,0,1,0,0|2,0,0]=4 2279 B16R2.375760 O=C(C[C@@H]1CO1)c2cc(c(c(c2)Cl)O)O 1458a_200000078382_100000745022 [0,1,0,1,0,0|2,0,0]=4 2280 B16R2.375760 O=C(C[C@@H]1CO1)c2cc(c(c(c2)O)Cl)O 1458a_100000074654_100000745022 [0,1,0,1,0,0|2,0,0]=4 2281 B16R2.375760 O=C(C[C@@H]1CO1)c2cc(c(c(c2)O)O)O 1458a_100000212154_100000745022 [0,1,0,1,0,0|1,0,0]=3 2282 B16R2.375760 O=C(NC1CC1)c2cc(c(c(c2)Br)O)O 240690a_100000212008_200009992764 [0,1,0,1,0,0|2,0,0]=4 2283 B16R2.375760 O=C(NC1CC1)c2cc(c(c(c2)Cl)O)O 240690a_100000212008_200000078382 [0,1,0,1,0,0|2,0,0]=4 2284 B16R2.375760 O=C(NC1CC1)c2cc(c(c(c2)O)Br)O 240690a_100000212008_100009812877 [0,1,0,1,0,0|2,0,0]=4 2285 B16R2.375760 O=C(NC1CC1)c2cc(c(c(c2)O)Cl)O 240690a_100000212008_100000074654 [0,1,0,1,0,0|2,0,0]=4 2286 B16R2.29806 CCCC(=O)c1cc(c2c(c1)OCO2)Br 1458a_100000744664_100000210303 [0,1,0,1,0,0|2,0,0]=4 2287 B16R2.29806 CCNC(=O)c1cc(c2c(c1)OCO2)Br 11a_100015525214_100000744664 [0,1,0,1,0,0|2,0,0]=4 2288 B16R2.29806 CCNC(=O)c1cc(c2c(c1)OCO2)Br 240690a_100015525214_100000744664 [0,1,0,1,0,0|2,0,0]=4 2289 B16R2.29806 CCNC(=O)c1cc(c2c(c1)OCO2)Br 527a_100015525214_100000744664 [0,1,0,1,0,0|2,0,0]=4 2290 B16R2.29806 CCOC(=O)c1cc(c2[nH]cnc2c1)O 271570a_203496583355_100010271410 [0,1,0,1,0,0|2,0,0]=4 2291 B16R2.29806 CCOC(=O)c1cc(c2[nH]nnc2c1)O 271570a_203496583355_200010271419 [0,1,0,1,0,0|2,0,0]=4 2292 B12R1.314 CCOC(=O)c1cc(c([nH]1)C)O 271570a_203496583355_100010735034 [1,0,0,0,1,0|2,0,0]=4 2293 B12R1.314 CCOC(=O)c1cc(c(s1)O)C 271570a_203496583355_200012676308 [1,0,0,0,1,0|2,0,0]=4 2294 B14R1.952 CCCC(=O)Nc1cc(cc(c1)Cl)O 1626a_100000123917_100000211992 [1,0,0,0,0,1|2,0,0]=4 2295 B14R1.952 CCCC(=O)Nc1cc(cc(c1)Cl)O 22a_100000123917_100000211992 [1,0,0,0,0,1|2,0,0]=4 2296 B14R1.952 CCCC(=O)Nc1cc(cc(c1)O)C 1626a_100011995906_100000211992 [1,0,0,0,0,1|2,0,0]=4 2297 B14R1.952 CCCC(=O)Nc1cc(cc(c1)O)C 22a_100011995906_100000211992 [1,0,0,0,0,1|2,0,0]=4 2298 B14R1.952 CCCC(=O)Nc1cc(cc(c1)O)C 527a_100011995906_100000211992 [1,0,0,0,0,1|2,0,0]=4 2299 B14R1.952 CCCC(=O)Nc1cc(cc(c1)O)O 527a_100000043371_100000211992 [1,0,0,0,0,1|1,0,0]=3 2300 B14R1.952 CCNC(=O)Cc1cc(cc(c1)O)O 240690a_100015525214_100000080560 [1,0,0,0,0,1|1,0,0]=3 2301 B14R1.952 CCNC(=O)Cc1cc(cc(c1)O)O 527a_100015525214_100000080560 [1,0,0,0,0,1|1,0,0]=3 2302 B14R1.952 CCNC(=O)Nc1cc(cc(c1)Cl)O 2430a_100000123917_100015525214 [1,0,0,0,0,1|2,0,0]=4 2303 B14R1.952 CCNC(=O)Nc1cc(cc(c1)Cl)O 512a_100000123917_100015525214 [1,0,0,0,0,1|2,0,0]=4 2304 B14R1.952 CCNC(=O)Nc1cc(cc(c1)O)C 2430a_100011995906_100015525214 [1,0,0,0,0,1|2,0,0]=4 2305 B14R1.952 CCNC(=O)Nc1cc(cc(c1)O)C 512a_100011995906_100015525214 [1,0,0,0,0,1|2,0,0]=4 2306 B14R1.952 CCNC(=O)Nc1cc(cc(c1)O)O 2430a_100000043371_100015525214 [1,0,0,0,0,1|1,0,0]=3 2307 B14R1.952 CCNC(=O)Nc1cc(cc(c1)O)O 512a_100000043371_100015525214 [1,0,0,0,0,1|1,0,0]=3 2308 B14R1.952 CNNC(=O)Cc1cc(cc(c1)O)O 22a_100016993582_100000080560 [1,0,0,0,0,1|2,0,0]=4 2309 B14R1.952 CNNC(=O)Nc1cc(cc(c1)O)O 512a_100000043371_100016993582 [1,0,0,0,0,1|2,0,0]=4 2310 B14R1.952 COCC(=O)Nc1cc(cc(c1)O)O 527a_100000043371_100000210968 [1,0,0,0,0,1|2,0,0]=4 2311 B14R1.952 CSCC(=O)Nc1cc(cc(c1)O)O 527a_100000043371_100000184570 [1,0,0,0,0,1|2,0,0]=4 2312 B14R1.967 CC#CC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000763181 [1,0,0,0,0,1|1,0,1]=4 2313 B14R1.967 CC=CC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000210699 [1,0,0,0,0,1|1,0,1]=4 2314 B14R1.967 CCCC(=O)Cc1ccc(c(c1)Br)O 1458a_100009990404_100000210303 [1,0,0,0,0,1|2,0,0]=4 2315 B14R1.967 CCCC(=O)Cc1ccc(c(c1)C)O 1458a_100000083968_100000210303 [1,0,0,0,0,1|2,0,0]=4 2316 B14R1.967 CCCC(=O)Cc1ccc(c(c1)Cl)O 1458a_100000035197_100000210303 [1,0,0,0,0,1|2,0,0]=4 2317 B14R1.967 CCCC(=O)Cc1ccc(c(c1)F)O 1458a_100000039761_100000210303 [1,0,0,0,0,1|2,0,0]=4 2318 B14R1.967 CCCC(=O)Cc1ccc(c(c1)O)C 1458a_100000082272_100000210303 [1,0,0,0,0,1|2,0,0]=4 2319 B14R1.967 CCCC(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_100000210303 [1,0,0,0,0,1|1,0,0]=3 2320 B14R1.967 CCCC(=O)Nc1ccc(c(c1)Br)O 22a_100011534360_100000211992 [1,0,0,0,0,1|2,0,0]=4 2321 B14R1.967 CCCC(=O)Nc1ccc(c(c1)Br)O 527a_100011534360_100000211992 [1,0,0,0,0,1|2,0,0]=4 2322 B14R1.967 CCCC(=O)Nc1ccc(c(c1)C)O 11a_100011218179_100000211992 [1,0,0,0,0,1|2,0,0]=4 2323 B14R1.967 CCCC(=O)Nc1ccc(c(c1)C)O 22a_100011218179_100000211992 [1,0,0,0,0,1|2,0,0]=4 2324 B14R1.967 CCCC(=O)Nc1ccc(c(c1)C)O 527a_100011218179_100000211992 [1,0,0,0,0,1|2,0,0]=4 2325 B14R1.967 CCCC(=O)Nc1ccc(c(c1)Cl)O 22a_100000744943_100000211992 [1,0,0,0,0,1|2,0,0]=4 2326 B14R1.967 CCCC(=O)Nc1ccc(c(c1)F)O 22a_100011220035_100000211992 [1,0,0,0,0,1|2,0,0]=4 2327 B14R1.967 CCCC(=O)Nc1ccc(c(c1)F)O 527a_100011220035_100000211992 [1,0,0,0,0,1|2,0,0]=4 2328 B14R1.967 CCCC(=O)Nc1ccc(c(c1)O)C 11a_100000759471_100000211992 [1,0,0,0,0,1|2,0,0]=4 2329 B14R1.967 CCCC(=O)Nc1ccc(c(c1)O)C 22a_100000759471_100000211992 [1,0,0,0,0,1|2,0,0]=4 2330 B14R1.967 CCCC(=O)Nc1ccc(c(c1)O)C 527a_100000759471_100000211992 [1,0,0,0,0,1|2,0,0]=4 2331 B14R1.967 CCCC(=O)Nc1ccc(c(c1)O)Cl 22a_100011934209_100000211992 [1,0,0,0,0,1|2,0,0]=4 2332 B14R1.967 CCCC(=O)Nc1ccc(c(c1)O)F 22a_100012017398_100000211992 [1,0,0,0,0,1|2,0,0]=4 2333 B14R1.967 CCCC(=O)Nc1ccc(c(c1)O)F 527a_100012017398_100000211992 [1,0,0,0,0,1|2,0,0]=4 2334 B14R1.967 CCCC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000211992 [1,0,0,0,0,1|1,0,0]=3 2335 B14R1.967 CCCC(=O)Nc1ccc(c(c1)O)O 527a_100102946323_100000211992 [1,0,0,0,0,1|1,0,0]=3 2336 B14R1.967 CCNC(=O)Cc1ccc(c(c1)Br)O 240690a_100015525214_100009990404 [1,0,0,0,0,1|2,0,0]=4 2337 B14R1.967 CCNC(=O)Cc1ccc(c(c1)Br)O 527a_100015525214_100009990404 [1,0,0,0,0,1|2,0,0]=4 2338 B14R1.967 CCNC(=O)Cc1ccc(c(c1)C)O 240690a_100015525214_100000083968 [1,0,0,0,0,1|2,0,0]=4 2339 B14R1.967 CCNC(=O)Cc1ccc(c(c1)C)O 527a_100015525214_100000083968 [1,0,0,0,0,1|2,0,0]=4 2340 B14R1.967 CCNC(=O)Cc1ccc(c(c1)Cl)O 240690a_100015525214_100000035197 [1,0,0,0,0,1|2,0,0]=4 2341 B14R1.967 CCNC(=O)Cc1ccc(c(c1)Cl)O 527a_100015525214_100000035197 [1,0,0,0,0,1|2,0,0]=4 2342 B14R1.967 CCNC(=O)Cc1ccc(c(c1)F)O 240690a_100015525214_100000039761 [1,0,0,0,0,1|2,0,0]=4 2343 B14R1.967 CCNC(=O)Cc1ccc(c(c1)F)O 527a_100015525214_100000039761 [1,0,0,0,0,1|2,0,0]=4 2344 B14R1.967 CCNC(=O)Cc1ccc(c(c1)O)C 11a_100015525214_100000082272 [1,0,0,0,0,1|2,0,0]=4 2345 B14R1.967 CCNC(=O)Cc1ccc(c(c1)O)C 240690a_100015525214_100000082272 [1,0,0,0,0,1|2,0,0]=4 2346 B14R1.967 CCNC(=O)Cc1ccc(c(c1)O)C 527a_100015525214_100000082272 [1,0,0,0,0,1|2,0,0]=4 2347 B14R1.967 CCNC(=O)Cc1ccc(c(c1)O)O 527a_100015525214_100000031429 [1,0,0,0,0,1|1,0,0]=3 2348 B14R1.967 CCNC(=O)Nc1ccc(c(c1)Br)O 2430a_100011534360_100015525214 [1,0,0,0,0,1|2,0,0]=4 2349 B14R1.967 CCNC(=O)Nc1ccc(c(c1)C)O 2430a_100011218179_100015525214 [1,0,0,0,0,1|2,0,0]=4 2350 B14R1.967 CCNC(=O)Nc1ccc(c(c1)Cl)O 2430a_100000744943_100015525214 [1,0,0,0,0,1|2,0,0]=4 2351 B14R1.967 CCNC(=O)Nc1ccc(c(c1)F)O 2430a_100011220035_100015525214 [1,0,0,0,0,1|2,0,0]=4 2352 B14R1.967 CCNC(=O)Nc1ccc(c(c1)O)C 2430a_100000759471_100015525214 [1,0,0,0,0,1|2,0,0]=4 2353 B14R1.967 CCNC(=O)Nc1ccc(c(c1)O)Cl 2430a_100011934209_100015525214 [1,0,0,0,0,1|2,0,0]=4 2354 B14R1.967 CCNC(=O)Nc1ccc(c(c1)O)F 2430a_100012017398_100015525214 [1,0,0,0,0,1|2,0,0]=4 2355 B14R1.967 CCNC(=O)Nc1ccc(c(c1)O)O 2430a_100102946323_100015525214 [1,0,0,0,0,1|1,0,0]=3 2356 B14R1.967 CCOC(=O)Cc1ccc(c(c1)F)O 271570a_203496583355_100000692401 [1,0,0,0,0,1|1,0,0]=3 2357 B14R1.967 CCOC(=O)Cc1ccc(c(c1)O)C 271570a_203496583355_200010149176 [1,0,0,0,0,1|1,0,0]=3 2358 B14R1.967 CCOC(=O)Cc1ccc(c(c1)O)N 271570a_203496583355_200010232156 [1,0,0,0,0,1|1,0,0]=3 2359 B14R1.967 CCOC(=O)Cc1ccc(c(c1)O)O 271570a_203496583355_100010222481 [1,0,0,0,0,1|0,0,0]=2 2360 B14R1.967 CNNC(=O)Cc1ccc(c(c1)O)O 22a_100016993582_100000031429 [1,0,0,0,0,1|2,0,0]=4 2361 B14R1.967 COCC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000210968 [1,0,0,0,0,1|2,0,0]=4 2362 B14R1.967 COCC(=O)Nc1ccc(c(c1)O)O 527a_100102946323_100000210968 [1,0,0,0,0,1|2,0,0]=4 2363 B14R1.967 CSCC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000184570 [1,0,0,0,0,1|2,0,0]=4 2364 B14R1.967 CSCC(=O)Nc1ccc(c(c1)O)O 527a_100102946323_100000184570 [1,0,0,0,0,1|2,0,0]=4 2365 B14R1.967 O=C(CCF)Cc1ccc(c(c1)O)O 1458a_100000031429_100011217306 [1,0,0,0,0,1|2,0,0]=4 2366 B14R1.967 O=C(CCO)Cc1ccc(c(c1)O)O 1458a_100000031429_100000211926 [1,0,0,0,0,1|2,0,0]=4 2367 B14R1.967 O=C(CCO)Nc1ccc(c(c1)O)O 22a_100102946323_100011216618 [1,0,0,0,0,1|2,0,0]=4 2368 B16R1.1520 C=COC(=O)CSc1cc(c(c(c1)O)O)O 62a_100000036128_100010658518 [0,0,0,0,0,2|0,0,2]=4 2369 B16R1.1520 CCCC(=O)CSc1cc(c(c(c1)F)O)O 62a_100000747444_100010114375 [0,0,0,0,0,2|2,0,0]=4 2370 B16R1.1520 CCCC(=O)CSc1cc(c(c(c1)O)O)O 62a_100000747444_100010658518 [0,0,0,0,0,2|1,0,0]=3 2371 B16R1.1520 CCNC(=O)CSc1cc(c(c(c1)F)O)O 62a_100000183381_100010114375 [0,0,0,0,0,2|2,0,0]=4 2372 B16R1.1520 CCNC(=O)CSc1cc(c(c(c1)O)O)O 62a_100000183381_100010658518 [0,0,0,0,0,2|1,0,0]=3 2373 B16R1.1520 CCOC(=O)C=Cc1cc(c(c(c1)Br)O)C 271570a_100010199719_100010982682 [0,0,0,0,0,2|2,0,0]=4 2374 B16R1.1520 CCOC(=O)C=Cc1cc(c(c(c1)C)O)C 271570a_100010199719_100000187306 [0,0,0,0,0,2|2,0,0]=4 2375 B16R1.1520 CCOC(=O)C=Cc1cc(c(c(c1)Cl)O)C 271570a_100010199719_200015900153 [0,0,0,0,0,2|2,0,0]=4 2376 B16R1.1520 CCOC(=O)C=Cc1cc(c(c(c1)Cl)O)Cl 271570a_100010199719_100012339652 [0,0,0,0,0,2|2,0,0]=4 2377 B16R1.1520 CCOC(=O)C=Cc1cc(c(c(c1)F)F)O 271570a_100010199719_100000709865 [0,0,0,0,0,2|2,0,0]=4 2378 B16R1.1520 CCOC(=O)C=Cc1cc(c(c(c1)F)N)O 271570a_100010199719_100015475841 [0,0,0,0,0,2|2,0,0]=4 2379 B16R1.1520 CCOC(=O)C=Cc1cc(c(c(c1)F)O)F 271570a_100010199719_100011216917 [0,0,0,0,0,2|2,0,0]=4 2380 B16R1.1520 CCOC(=O)C=Cc1cc(c(c(c1)F)O)N 271570a_100010199719_100011217383 [0,0,0,0,0,2|2,0,0]=4 2381 B16R1.1520 CCOC(=O)C=Cc1cc(c(c(c1)N)O)C 271570a_100010199719_100011825904 [0,0,0,0,0,2|2,0,0]=4 2382 B16R1.1520 CCOC(=O)C=Cc1cc(c(c(c1)O)N)C 271570a_100010199719_100010371313 [0,0,0,0,0,2|2,0,0]=4 2383 B16R1.1520 CCOC(=O)CNc1cc(c(c(c1)Br)O)Br 34a_200000186426_100000188475 [0,0,0,0,0,2|2,0,0]=4 2384 B16R1.1520 CCOC(=O)CNc1cc(c(c(c1)Br)O)C 34a_100010064301_100000188475 [0,0,0,0,0,2|2,0,0]=4 2385 B16R1.1520 CCOC(=O)CNc1cc(c(c(c1)Br)O)C 7a_100010064301_100000188475 [0,0,0,0,0,2|2,0,0]=4 2386 B16R1.1520 CCOC(=O)CNc1cc(c(c(c1)C)O)C 34a_100000703291_100000188475 [0,0,0,0,0,2|2,0,0]=4 2387 B16R1.1520 CCOC(=O)CNc1cc(c(c(c1)C)O)C 7a_100000703291_100000188475 [0,0,0,0,0,2|2,0,0]=4 2388 B16R1.1520 CCOC(=O)CNc1cc(c(c(c1)Cl)Cl)O 34a_100015839415_100000188475 [0,0,0,0,0,2|2,0,0]=4 2389 B16R1.1520 CCOC(=O)CNc1cc(c(c(c1)Cl)Cl)O 7a_100015839415_100000188475 [0,0,0,0,0,2|2,0,0]=4 2390 B16R1.1520 CCOC(=O)CNc1cc(c(c(c1)Cl)O)Cl 34a_100000695418_100000188475 [0,0,0,0,0,2|2,0,0]=4 2391 B16R1.1520 CCOC(=O)CNc1cc(c(c(c1)Cl)O)Cl 7a_100000695418_100000188475 [0,0,0,0,0,2|2,0,0]=4 2392 B16R1.1520 CCOC(=O)CNc1cc(c(c(c1)F)O)F 34a_100016987357_100000188475 [0,0,0,0,0,2|2,0,0]=4 2393 B16R1.1520 CCOC(=O)CNc1cc(c(c(c1)F)O)F 7a_100016987357_100000188475 [0,0,0,0,0,2|2,0,0]=4 2394 B16R1.1520 CCOC(=O)CSc1cc(c(c(c1)Br)O)C 62a_100000188475_100010982682 [0,0,0,0,0,2|2,0,0]=4 2395 B16R1.1520 CCOC(=O)CSc1cc(c(c(c1)Br)O)C 62a_100010982682_100000188475 [0,0,0,0,0,2|2,0,0]=4 2396 B16R1.1520 CCOC(=O)CSc1cc(c(c(c1)C)O)C 62a_100000188475_100011216129 [0,0,0,0,0,2|2,0,0]=4 2397 B16R1.1520 CCOC(=O)CSc1cc(c(c(c1)C)O)C 62a_100011216129_100000188475 [0,0,0,0,0,2|2,0,0]=4 2398 B16R1.1520 CCOC(=O)CSc1cc(c(c(c1)Cl)O)C 62a_100000188475_200015900153 [0,0,0,0,0,2|2,0,0]=4 2399 B16R1.1520 CCOC(=O)CSc1cc(c(c(c1)Cl)O)C 62a_200015900153_100000188475 [0,0,0,0,0,2|2,0,0]=4 2400 B16R1.1520 CCOC(=O)CSc1cc(c(c(c1)Cl)O)Cl 62a_100000188475_100012339652 [0,0,0,0,0,2|2,0,0]=4 2401 B16R1.1520 CCOC(=O)CSc1cc(c(c(c1)Cl)O)Cl 62a_100012339652_100000188475 [0,0,0,0,0,2|2,0,0]=4 2402 B16R1.1520 CCOC(=O)CSc1cc(c(c(c1)F)F)O 62a_100000188475_100000709865 [0,0,0,0,0,2|2,0,0]=4 2403 B16R1.1520 CCOC(=O)CSc1cc(c(c(c1)F)F)O 62a_100000709865_100000188475 [0,0,0,0,0,2|2,0,0]=4 2404 B16R1.1520 CCOC(=O)CSc1cc(c(c(c1)F)N)O 62a_100000188475_100015475841 [0,0,0,0,0,2|2,0,0]=4 2405 B16R1.1520 CCOC(=O)CSc1cc(c(c(c1)F)N)O 62a_100015475841_100000188475 [0,0,0,0,0,2|2,0,0]=4 2406 B16R1.1520 CCOC(=O)CSc1cc(c(c(c1)F)O)F 62a_100000188475_100011216917 [0,0,0,0,0,2|2,0,0]=4 2407 B16R1.1520 CCOC(=O)CSc1cc(c(c(c1)F)O)F 62a_100011216917_100000188475 [0,0,0,0,0,2|2,0,0]=4 2408 B16R1.1520 CCOC(=O)CSc1cc(c(c(c1)F)O)N 62a_100000188475_100011217383 [0,0,0,0,0,2|2,0,0]=4 2409 B16R1.1520 CCOC(=O)CSc1cc(c(c(c1)F)O)N 62a_100011217383_100000188475 [0,0,0,0,0,2|2,0,0]=4 2410 B16R1.1520 CCOC(=O)CSc1cc(c(c(c1)F)O)O 62a_100000188475_100010114375 [0,0,0,0,0,2|1,0,0]=3 2411 B16R1.1520 CCOC(=O)CSc1cc(c(c(c1)N)O)C 62a_100000188475_100011825904 [0,0,0,0,0,2|2,0,0]=4 2412 B16R1.1520 CCOC(=O)CSc1cc(c(c(c1)N)O)C 62a_100011825904_100000188475 [0,0,0,0,0,2|2,0,0]=4 2413 B16R1.1520 CCOC(=O)CSc1cc(c(c(c1)O)N)C 62a_100000188475_100010371313 [0,0,0,0,0,2|2,0,0]=4 2414 B16R1.1520 CCOC(=O)CSc1cc(c(c(c1)O)N)C 62a_100010371313_100000188475 [0,0,0,0,0,2|2,0,0]=4 2415 B16R1.1520 CCOC(=O)CSc1cc(c(c(c1)O)O)O 62a_100000188475_100010658518 [0,0,0,0,0,2|0,0,0]=2 2416 B16R1.1520 CNNC(=O)C=Cc1cc(c(c(c1)O)O)O 22a_100016993582_100016254167 [0,0,0,0,0,2|2,0,0]=4 2417 B16R1.1520 O=C(CSc1cc(c(c(c1)O)O)O)NCO 62a_100000185155_100010658518 [0,0,0,0,0,2|2,0,0]=4 2418 B11R1.14 COc1cc(c(c(c1)O)O)N 271570a_203496583355_200010008348 [3,0,0,0,0,0|1,0,0]=4 2419 B11R1.14 CSc1cc(c(c(c1)O)O)O 62a_200000210301_100010658518 [3,0,0,0,0,0|0,1,0]=4 2420 B11R1.14 O=Cc1cc(c(c(c1)F)O)O 271570a_203496583355_100010295671 [3,0,0,0,0,0|1,0,0]=4 2421 B11R1.14 [13CH3]Sc1cc(c(c(c1)O)O)O 62a_200025704644_100010658518 [3,0,0,0,0,0|0,1,0]=4 2422 B11R1.34 CC=Cc1cc(cc(c1)O)O 271570a_100016259895_100009868816 [3,0,0,0,0,0|0,0,1]=4 2423 B11R1.34 CCNc1cc(cc(c1)O)O 34a_100000043371_100000210202 [3,0,0,0,0,0|1,0,0]=4 2424 B11R1.34 CCOc1cc(cc(c1)F)O 271570a_203496583355_100012343907 [3,0,0,0,0,0|1,0,0]=4 2425 B11R1.34 CCSc1cc(cc(c1)O)O 62a_100000210202_100009868816 [3,0,0,0,0,0|0,1,0]=4 2426 B11R1.192 CC=Cc1ccc(c(c1)O)O 271570a_100016259895_100009813601 [3,0,0,0,0,0|0,0,1]=4 2427 B11R1.192 CCNc1ccc(c(c1)O)O 34a_100102946323_100000210202 [3,0,0,0,0,0|1,0,0]=4 2428 B11R1.192 CCOc1ccc(c(c1)C)O 271570a_203496583355_100012344538 [3,0,0,0,0,0|1,0,0]=4 2429 B11R1.192 CCOc1ccc(c(c1)F)O 271570a_203496583355_100000692347 [3,0,0,0,0,0|1,0,0]=4 2430 B11R1.192 CCOc1ccc(c(c1)O)C 271570a_203496583355_100011099959 [3,0,0,0,0,0|1,0,0]=4 2431 B11R1.192 CCSc1ccc(c(c1)O)O 62a_100000210202_100009813601 [3,0,0,0,0,0|0,1,0]=4 2432 B11R1.24 CCOCc1cccc(c1)O 271570a_203496583355_100011493694 [3,0,0,0,0,0|0,0,1]=4 2433 B11R1.24 CCOCc1cccc(c1)O 34a_100121572206_100011660834 [3,0,0,0,0,0|0,0,1]=4 2434 B11R1.1 CCOCc1ccc(cc1)O 271570a_203496583355_100000758564 [3,0,0,0,0,0|0,0,1]=4 2435 B11R1.16 CCCC(=O)c1ccccc1 1458a_100000185807_100000210303 [3,0,0,0,0,0|1,0,0]=4 2436 B11R1.16 CCNC(=O)c1ccccc1 11a_100015525214_100000185807 [3,0,0,0,0,0|1,0,0]=4 2437 B11R1.16 CCNC(=O)c1ccccc1 240690a_100015525214_100000185807 [3,0,0,0,0,0|1,0,0]=4 2438 B11R1.16 CCNC(=O)c1ccccc1 527a_100015525214_100000185807 [3,0,0,0,0,0|1,0,0]=4 2439 B11R1.23 CCC(=O)c1cc(ccn1)O 271570a_203496583355_200000094848 [3,0,0,0,0,0|1,0,0]=4 2440 B11R1.23 CCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210202 [3,0,0,0,0,0|1,0,0]=4 2441 B11R1.23 CCC(=O)c1cccc(c1)C 1458a_100000189346_100000210202 [3,0,0,0,0,0|1,0,0]=4 2442 B11R1.23 CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210202 [3,0,0,0,0,0|1,0,0]=4 2443 B11R1.23 CCC(=O)c1cccc(c1)F 1458a_100000210950_100000210202 [3,0,0,0,0,0|1,0,0]=4 2444 B11R1.23 CCC(=O)c1cccc(c1)I 1458a_100000184098_100000210202 [3,0,0,0,0,0|1,0,0]=4 2445 B11R1.23 CCC(=O)c1cccc(c1)O 1458a_100000183914_100000210202 [3,0,0,0,0,0|0,0,0]=3 2446 B11R1.23 CCC(=O)c1cccc(c1)O 271570a_203496583355_100000211677 [3,0,0,0,0,0|0,0,0]=3 2447 B11R1.23 CCC(=O)c1cccc(n1)O 271570a_203496583355_100011004013 [3,0,0,0,0,0|1,0,0]=4 2448 B11R1.23 CNC(=O)c1cccc(c1)O 240690a_100102657272_100000183914 [3,0,0,0,0,0|1,0,0]=4 2449 B11R1.23 CNC(=O)c1cccc(c1)O 271570a_203496583355_100000155082 [3,0,0,0,0,0|1,0,0]=4 2450 B11R1.23 CNC(=O)c1cccc(c1)O 527a_100102657272_100000183914 [3,0,0,0,0,0|1,0,0]=4 2451 B11R1.23 COC(=O)c1cc(ccn1)O 271570a_203496583355_100000693414 [3,0,0,0,0,0|1,0,0]=4 2452 B11R1.23 COC(=O)c1cccc(c1)O 271570a_203496583355_100000148679 [3,0,0,0,0,0|0,0,0]=3 2453 B11R1.23 COC(=O)c1cccc(n1)O 271570a_203496583355_100000708286 [3,0,0,0,0,0|1,0,0]=4 2454 B11R1.23 COC(=O)c1ccnc(c1)O 271570a_203496583355_100011934382 [3,0,0,0,0,0|1,0,0]=4 2455 B11R1.23 COC(=O)c1cncc(c1)O 271570a_203496583355_100000148912 [3,0,0,0,0,0|1,0,0]=4 2456 B11R1.23 NCC(=O)c1cccc(c1)O 271570a_203496583355_100020587001 [3,0,0,0,0,0|1,0,0]=4 2457 B11R1.23 O=C(CF)c1cccc(c1)O 1458a_100000183914_100015361967 [3,0,0,0,0,0|1,0,0]=4 2458 B11R1.74 C=C(C)c1cc(cc(c1)O)O 271570a_100000694244_100009868816 [3,0,0,0,0,0|1,0,0]=4 2459 B11R1.74 CC(=O)c1cc(cc(c1)Br)O 1458a_100011934545_200000210301 [3,0,0,0,0,0|1,0,0]=4 2460 B11R1.74 CC(=O)c1cc(cc(c1)Br)O 271570a_203496583355_100010005435 [3,0,0,0,0,0|1,0,0]=4 2461 B11R1.74 CC(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_200000210301 [3,0,0,0,0,0|1,0,0]=4 2462 B11R1.74 CC(=O)c1cc(cc(c1)F)O 1458a_100012017291_200000210301 [3,0,0,0,0,0|1,0,0]=4 2463 B11R1.74 CC(=O)c1cc(cc(c1)F)O 271570a_203496583355_100012361402 [3,0,0,0,0,0|1,0,0]=4 2464 B11R1.74 CC(=O)c1cc(cc(c1)O)C 1458a_100000094094_200000210301 [3,0,0,0,0,0|1,0,0]=4 2465 B11R1.74 CC(=O)c1cc(cc(c1)O)C 271570a_203496583355_100000694479 [3,0,0,0,0,0|1,0,0]=4 2466 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])O 1458a_100000094094_200025704644 [3,0,0,0,0,0|1,0,0]=4 2467 B11R1.74 NC(=O)c1cc(cc(c1)O)O 271570a_203496583355_100010084318 [3,0,0,0,0,0|1,0,0]=4 2468 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Br)O 1458a_100011934545_200025704644 [3,0,0,0,0,0|1,0,0]=4 2469 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_200025704644 [3,0,0,0,0,0|1,0,0]=4 2470 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)F)O 1458a_100012017291_200025704644 [3,0,0,0,0,0|1,0,0]=4 2471 B11R1.22 CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210202 [3,0,0,0,0,0|1,0,0]=4 2472 B11R1.22 CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210202 [3,0,0,0,0,0|1,0,0]=4 2473 B11R1.22 CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210202 [3,0,0,0,0,0|1,0,0]=4 2474 B11R1.22 CCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210202 [3,0,0,0,0,0|1,0,0]=4 2475 B11R1.22 CCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210202 [3,0,0,0,0,0|1,0,0]=4 2476 B11R1.22 CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210202 [3,0,0,0,0,0|0,0,0]=3 2477 B11R1.22 CCC(=O)c1ccc(cc1)O 271570a_203496583355_100000211647 [3,0,0,0,0,0|0,0,0]=3 2478 B11R1.22 CCC(=O)c1ccc(cn1)O 271570a_203496583355_100012351654 [3,0,0,0,0,0|1,0,0]=4 2479 B11R1.22 CNC(=O)c1ccc(cc1)O 240690a_100102657272_100000212099 [3,0,0,0,0,0|1,0,0]=4 2480 B11R1.22 CNC(=O)c1ccc(cc1)O 271570a_203496583355_100000155074 [3,0,0,0,0,0|1,0,0]=4 2481 B11R1.22 CNC(=O)c1ccc(cc1)O 527a_100102657272_100000212099 [3,0,0,0,0,0|1,0,0]=4 2482 B11R1.22 COC(=O)c1ccc(cc1)O 271570a_203496583355_100000150774 [3,0,0,0,0,0|0,0,0]=3 2483 B11R1.22 COC(=O)c1ccc(cn1)O 271570a_203496583355_100000690920 [3,0,0,0,0,0|1,0,0]=4 2484 B11R1.22 COC(=O)c1ccc(nc1)O 271570a_203496583355_100000733799 [3,0,0,0,0,0|1,0,0]=4 2485 B11R1.22 NCC(=O)c1ccc(cc1)O 271570a_203496583355_100000017248 [3,0,0,0,0,0|1,0,0]=4 2486 B11R1.22 O=C(CF)c1ccc(cc1)O 1458a_100000212099_100015361967 [3,0,0,0,0,0|1,0,0]=4 2487 B11R1.22 O=C(CO)c1ccc(cc1)O 271570a_203496583355_100011219529 [3,0,0,0,0,0|1,0,0]=4 2488 B11R1.21 C=C(C)c1ccc(c(c1)O)O 271570a_100000694244_100009813601 [3,0,0,0,0,0|1,0,0]=4 2489 B11R1.21 CC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_200000210301 [3,0,0,0,0,0|1,0,0]=4 2490 B11R1.21 CC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100010146554 [3,0,0,0,0,0|1,0,0]=4 2491 B11R1.21 CC(=O)c1ccc(c(c1)C)O 1458a_100000685612_200000210301 [3,0,0,0,0,0|1,0,0]=4 2492 B11R1.21 CC(=O)c1ccc(c(c1)C)O 271570a_203496583355_100000697869 [3,0,0,0,0,0|1,0,0]=4 2493 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200000210301 [3,0,0,0,0,0|1,0,0]=4 2494 B11R1.21 CC(=O)c1ccc(c(c1)F)O 1458a_100000185466_200000210301 [3,0,0,0,0,0|1,0,0]=4 2495 B11R1.21 CC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000690002 [3,0,0,0,0,0|1,0,0]=4 2496 B11R1.21 CC(=O)c1ccc(c(c1)I)O 1458a_100000037485_200000210301 [3,0,0,0,0,0|1,0,0]=4 2497 B11R1.21 CC(=O)c1ccc(c(c1)N)O 271570a_203496583355_100009816534 [3,0,0,0,0,0|1,0,0]=4 2498 B11R1.21 CC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_200000210301 [3,0,0,0,0,0|1,0,0]=4 2499 B11R1.21 CC(=O)c1ccc(c(c1)O)Br 271570a_203496583355_100010146556 [3,0,0,0,0,0|1,0,0]=4 2500 B11R1.21 CC(=O)c1ccc(c(c1)O)C 1458a_100000233767_200000210301 [3,0,0,0,0,0|1,0,0]=4 2501 B11R1.21 CC(=O)c1ccc(c(c1)O)C 271570a_203496583355_100011934287 [3,0,0,0,0,0|1,0,0]=4 2502 B11R1.21 CC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200000210301 [3,0,0,0,0,0|1,0,0]=4 2503 B11R1.21 CC(=O)c1ccc(c(c1)O)F 1458a_100000035894_200000210301 [3,0,0,0,0,0|1,0,0]=4 2504 B11R1.21 CC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100000239719 [3,0,0,0,0,0|1,0,0]=4 2505 B11R1.21 CC(=O)c1ccc(c(c1)O)I 1458a_100000239334_200000210301 [3,0,0,0,0,0|1,0,0]=4 2506 B11R1.21 CC(=O)c1ccc(c(c1)O)N 271570a_203496583355_100012029215 [3,0,0,0,0,0|1,0,0]=4 2507 B11R1.21 CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_200000210301 [3,0,0,0,0,0|0,0,0]=3 2508 B11R1.21 CC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100011772453 [3,0,0,0,0,0|0,0,0]=3 2509 B11R1.21 Cc1cc(ccc1O)C(=O)[13CH3] 1458a_100000685612_200025704644 [3,0,0,0,0,0|1,0,0]=4 2510 B11R1.21 Cc1ccc(cc1O)C(=O)[13CH3] 1458a_100000233767_200025704644 [3,0,0,0,0,0|1,0,0]=4 2511 B11R1.21 NC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100012344895 [3,0,0,0,0,0|1,0,0]=4 2512 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)O 1458a_100000189672_200025704644 [3,0,0,0,0,0|1,0,0]=4 2513 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200025704644 [3,0,0,0,0,0|1,0,0]=4 2514 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)O 1458a_100000185466_200025704644 [3,0,0,0,0,0|1,0,0]=4 2515 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)O 1458a_100000037485_200025704644 [3,0,0,0,0,0|1,0,0]=4 2516 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)Br 1458a_100000689001_200025704644 [3,0,0,0,0,0|1,0,0]=4 2517 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200025704644 [3,0,0,0,0,0|1,0,0]=4 2518 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)F 1458a_100000035894_200025704644 [3,0,0,0,0,0|1,0,0]=4 2519 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)I 1458a_100000239334_200025704644 [3,0,0,0,0,0|1,0,0]=4 2520 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)O 1458a_100000212155_200025704644 [3,0,0,0,0,0|0,0,0]=3 2521 B13R1.3763 CC(C)Sc1cc(c(c(c1)O)O)O 62a_100000210206_100010658518 [2,1,0,0,0,0|0,1,0]=4 2522 B13R1.4030 CCSc1cc(c(c(c1)OC)O)O 62a_100000210202_200159242197 [2,1,0,0,0,0|0,1,0]=4 2523 B13R1.55 CCCC=Cc1cc(cc(c1)O)O 271570a_100016258520_100009868816 [2,1,0,0,0,0|1,0,0]=4 2524 B13R1.55 CCNN=Cc1cc(cc(c1)O)O 4a_100000756455_100000043415 [2,1,0,0,0,0|1,0,0]=4 2525 B13R1.55 CCOC=Cc1cc(cc(c1)Br)O 271570a_100016256518_100010068917 [2,1,0,0,0,0|1,0,0]=4 2526 B13R1.55 CCOC=Cc1cc(cc(c1)Cl)O 271570a_100016256518_100010068924 [2,1,0,0,0,0|1,0,0]=4 2527 B13R1.55 CCOC=Cc1cc(cc(c1)F)O 271570a_100016256518_100000717995 [2,1,0,0,0,0|1,0,0]=4 2528 B13R1.55 CCOC=Cc1cc(cc(c1)O)C 271570a_100016256518_100011999630 [2,1,0,0,0,0|1,0,0]=4 2529 B13R1.55 CCOC=Cc1cc(cc(c1)O)O 271570a_100016256518_100009868816 [2,1,0,0,0,0|0,0,0]=3 2530 B13R1.55 CCOCSc1cc(cc(c1)O)O 62a_100000739092_100009868816 [2,1,0,0,0,0|0,0,1]=4 2531 B13R1.55 COCC=Cc1cc(cc(c1)O)O 271570a_100016286323_100009868816 [2,1,0,0,0,0|1,0,0]=4 2532 B13R1.3420 CC(C)C=Cc1cc(cc(c1)O)O 271570a_100016257149_100009868816 [2,1,0,0,0,0|1,0,0]=4 2533 B13R1.3420 CC(O)C=Cc1cc(cc(c1)O)O 271570a_200011019289_100009868816 [2,1,0,0,0,0|1,0,0]=4 2534 B13R1.511 CC(C)C=Cc1ccc(c(c1)O)O 271570a_100016257149_100009813601 [2,1,0,0,0,0|1,0,0]=4 2535 B13R1.511 CC(O)C=Cc1ccc(c(c1)O)O 271570a_200011019289_100009813601 [2,1,0,0,0,0|1,0,0]=4 2536 B13R1.669 CCCC=Cc1ccc(c(c1)O)O 271570a_100016258520_100009813601 [2,1,0,0,0,0|1,0,0]=4 2537 B13R1.669 CCNN=Cc1ccc(c(c1)O)O 4a_100000756455_100000184535 [2,1,0,0,0,0|1,0,0]=4 2538 B13R1.669 CCOC=Cc1ccc(c(c1)Br)O 271570a_100016256518_100012361655 [2,1,0,0,0,0|1,0,0]=4 2539 B13R1.669 CCOC=Cc1ccc(c(c1)C)O 271570a_100016256518_100000186361 [2,1,0,0,0,0|1,0,0]=4 2540 B13R1.669 CCOC=Cc1ccc(c(c1)Cl)O 271570a_100016256518_100012360047 [2,1,0,0,0,0|1,0,0]=4 2541 B13R1.669 CCOC=Cc1ccc(c(c1)F)O 271570a_100016256518_100000185481 [2,1,0,0,0,0|1,0,0]=4 2542 B13R1.669 CCOC=Cc1ccc(c(c1)N)O 271570a_100016256518_100000752626 [2,1,0,0,0,0|1,0,0]=4 2543 B13R1.669 CCOC=Cc1ccc(c(c1)O)Br 271570a_100016256518_100012356990 [2,1,0,0,0,0|1,0,0]=4 2544 B13R1.669 CCOC=Cc1ccc(c(c1)O)C 271570a_100016256518_100000766334 [2,1,0,0,0,0|1,0,0]=4 2545 B13R1.669 CCOC=Cc1ccc(c(c1)O)Cl 271570a_100016256518_100011356854 [2,1,0,0,0,0|1,0,0]=4 2546 B13R1.669 CCOC=Cc1ccc(c(c1)O)F 271570a_100016256518_100000686035 [2,1,0,0,0,0|1,0,0]=4 2547 B13R1.669 CCOC=Cc1ccc(c(c1)O)N 271570a_100016256518_100000739049 [2,1,0,0,0,0|1,0,0]=4 2548 B13R1.669 CCOC=Cc1ccc(c(c1)O)O 271570a_100016256518_100009813601 [2,1,0,0,0,0|0,0,0]=3 2549 B13R1.669 CCOCSc1ccc(c(c1)O)O 62a_100000739092_100009813601 [2,1,0,0,0,0|0,0,1]=4 2550 B13R1.669 COCC=Cc1ccc(c(c1)O)O 271570a_100016286323_100009813601 [2,1,0,0,0,0|1,0,0]=4 2551 B13R1.12 CCCC(=O)c1cccc(c1Br)O 1458a_100010230362_100000210303 [2,1,0,0,0,0|1,0,0]=4 2552 B13R1.12 CCCC(=O)c1cccc(c1C)O 1458a_100000766327_100000210303 [2,1,0,0,0,0|1,0,0]=4 2553 B13R1.12 CCCC(=O)c1cccc(c1Cl)O 1458a_100000092362_100000210303 [2,1,0,0,0,0|1,0,0]=4 2554 B13R1.12 CCCC(=O)c1cccc(c1F)O 1458a_100000037433_100000210303 [2,1,0,0,0,0|1,0,0]=4 2555 B13R1.12 CCCC(=O)c1cccc(c1I)O 1458a_100010084636_100000210303 [2,1,0,0,0,0|1,0,0]=4 2556 B13R1.12 CCCC(=O)c1cccc(c1O)O 1458a_100000690420_100000210303 [2,1,0,0,0,0|1,0,0]=4 2557 B13R1.12 CCNC(=O)c1cccc(c1Br)O 240690a_100015525214_100010230362 [2,1,0,0,0,0|1,0,0]=4 2558 B13R1.12 CCNC(=O)c1cccc(c1Br)O 527a_100015525214_100010230362 [2,1,0,0,0,0|1,0,0]=4 2559 B13R1.12 CCNC(=O)c1cccc(c1C)O 240690a_100015525214_100000766327 [2,1,0,0,0,0|1,0,0]=4 2560 B13R1.12 CCNC(=O)c1cccc(c1C)O 527a_100015525214_100000766327 [2,1,0,0,0,0|1,0,0]=4 2561 B13R1.12 CCNC(=O)c1cccc(c1Cl)O 240690a_100015525214_100000092362 [2,1,0,0,0,0|1,0,0]=4 2562 B13R1.12 CCNC(=O)c1cccc(c1Cl)O 527a_100015525214_100000092362 [2,1,0,0,0,0|1,0,0]=4 2563 B13R1.12 CCNC(=O)c1cccc(c1F)O 240690a_100015525214_100000037433 [2,1,0,0,0,0|1,0,0]=4 2564 B13R1.12 CCNC(=O)c1cccc(c1F)O 527a_100015525214_100000037433 [2,1,0,0,0,0|1,0,0]=4 2565 B13R1.12 CCNC(=O)c1cccc(c1I)O 527a_100015525214_100010084636 [2,1,0,0,0,0|1,0,0]=4 2566 B13R1.12 CCNC(=O)c1cccc(c1O)O 527a_100015525214_100000690420 [2,1,0,0,0,0|1,0,0]=4 2567 B13R1.12 CCOC(=O)c1cccc(c1C)O 271570a_203496583355_100012298221 [2,1,0,0,0,0|0,0,0]=3 2568 B13R1.12 CCOC(=O)c1cccc(c1F)O 271570a_203496583355_100012350793 [2,1,0,0,0,0|0,0,0]=3 2569 B13R1.12 CCOC(=O)c1cccc(c1N)O 271570a_203496583355_200011356557 [2,1,0,0,0,0|0,0,0]=3 2570 B13R1.12 CCOC(=O)c1cccc(c1O)C 271570a_203496583355_200012184857 [2,1,0,0,0,0|1,0,0]=4 2571 B13R1.12 CCOC(=O)c1cccc(c1O)F 271570a_203496583355_100012357632 [2,1,0,0,0,0|1,0,0]=4 2572 B13R1.12 CCOC(=O)c1ccnc(c1C)O 271570a_203496583355_100000080207 [2,1,0,0,0,0|1,0,0]=4 2573 B13R1.12 CCOC(=O)c1cncc(c1C)O 271570a_203496583355_100000726969 [2,1,0,0,0,0|1,0,0]=4 2574 B13R1.12 CCOC(=O)c1cncc(c1N)O 271570a_203496583355_100010080842 [2,1,0,0,0,0|1,0,0]=4 2575 B13R1.12 CCOC(=O)c1nccc(c1F)O 271570a_203496583355_100010222487 [2,1,0,0,0,0|1,0,0]=4 2576 B13R1.18 CCCCC(=O)c1cccc(c1)O 1458a_100000183914_100000210211 [2,1,0,0,0,0|1,0,0]=4 2577 B13R1.18 CCCNC(=O)c1cccc(c1)O 240690a_100020643023_100000183914 [2,1,0,0,0,0|1,0,0]=4 2578 B13R1.18 CCCNC(=O)c1cccc(c1)O 271570a_203496583355_200000152271 [2,1,0,0,0,0|1,0,0]=4 2579 B13R1.18 CCCNC(=O)c1cccc(c1)O 527a_100020643023_100000183914 [2,1,0,0,0,0|1,0,0]=4 2580 B13R1.18 CCNNC(=O)c1cccc(c1)O 22a_100000756455_100000183914 [2,1,0,0,0,0|1,0,0]=4 2581 B13R1.18 CCOCC(=O)c1cccc(c1)Br 34a_100121572206_100000212080 [2,1,0,0,0,0|1,0,0]=4 2582 B13R1.18 CCOCC(=O)c1cccc(c1)C 34a_100121572206_100000739480 [2,1,0,0,0,0|1,0,0]=4 2583 B13R1.18 CCOCC(=O)c1cccc(c1)Cl 34a_100121572206_100000211444 [2,1,0,0,0,0|1,0,0]=4 2584 B13R1.18 CCOCC(=O)c1cccc(c1)Cl 7a_200011592804_100000210202 [2,1,0,0,0,0|1,0,0]=4 2585 B13R1.18 CCOCC(=O)c1cccc(c1)F 34a_100011592800_100000210202 [2,1,0,0,0,0|1,0,0]=4 2586 B13R1.18 CCOCC(=O)c1cccc(c1)F 34a_100121572206_100000215616 [2,1,0,0,0,0|1,0,0]=4 2587 B13R1.18 CCOCC(=O)c1cccc(c1)F 7a_100011592800_100000210202 [2,1,0,0,0,0|1,0,0]=4 2588 B13R1.18 CCOCC(=O)c1cccc(c1)O 34a_100121572206_100009813753 [2,1,0,0,0,0|0,0,0]=3 2589 B13R1.18 CCSCC(=O)c1cccc(c1)O 62a_100000210202_100009813753 [2,1,0,0,0,0|0,1,0]=4 2590 B13R1.18 CCSCC(=O)c1cccc(c1)O 62a_100009813753_100000210202 [2,1,0,0,0,0|0,1,0]=4 2591 B13R1.18 COCCC(=O)c1cccc(c1)O 1458a_100000183914_100000233755 [2,1,0,0,0,0|1,0,0]=4 2592 B13R1.18 CSCCC(=O)c1cccc(c1)O 1458a_100000183914_100000751147 [2,1,0,0,0,0|1,0,0]=4 2593 B13R1.18 O=C(CCCF)c1cccc(c1)O 1458a_100000183914_100011934791 [2,1,0,0,0,0|1,0,0]=4 2594 B13R1.18 O=C(CCCO)c1cccc(c1)O 1458a_100000183914_100011215043 [2,1,0,0,0,0|1,0,0]=4 2595 B13R1.18 O=C(NCCF)c1cccc(c1)O 240690a_100000724931_100000183914 [2,1,0,0,0,0|1,0,0]=4 2596 B13R1.18 O=C(NCCF)c1cccc(c1)O 527a_100000724931_100000183914 [2,1,0,0,0,0|1,0,0]=4 2597 B13R1.18 O=C(NCCO)c1cccc(c1)O 240690a_100000210304_100000183914 [2,1,0,0,0,0|1,0,0]=4 2598 B13R1.18 O=C(NCCO)c1cccc(c1)O 271570a_203496583355_200000158903 [2,1,0,0,0,0|1,0,0]=4 2599 B13R1.18 O=C(NCCO)c1cccc(c1)O 527a_100000210304_100000183914 [2,1,0,0,0,0|1,0,0]=4 2600 B13R1.22 CCC(C)C(=O)c1cccc(c1)O 1458a_100000183914_100000758301 [2,1,0,0,0,0|1,0,0]=4 2601 B13R1.22 CCN(C)C(=O)c1cccc(c1)O 240690a_100000225621_100000183914 [2,1,0,0,0,0|1,0,0]=4 2602 B13R1.22 CCN(C)C(=O)c1cccc(c1)O 527a_100000225621_100000183914 [2,1,0,0,0,0|1,0,0]=4 2603 B13R1.147 CC(C)CC(=O)c1cccc(c1)O 1458a_100000183914_100000210624 [2,1,0,0,0,0|1,0,0]=4 2604 B13R1.147 CC(C)CC(=O)c1cccc(c1)O 271570a_203496583355_100000723889 [2,1,0,0,0,0|1,0,0]=4 2605 B13R1.147 CC(C)NC(=O)c1cccc(c1)O 240690a_100138425928_100000183914 [2,1,0,0,0,0|1,0,0]=4 2606 B13R1.147 CC(C)NC(=O)c1cccc(c1)O 271570a_203496583355_200000152632 [2,1,0,0,0,0|1,0,0]=4 2607 B13R1.147 CC(C)NC(=O)c1cccc(c1)O 527a_100138425928_100000183914 [2,1,0,0,0,0|1,0,0]=4 2608 B13R1.147 CC(O)CC(=O)c1cccc(c1)O 1458a_100000183914_100011218427 [2,1,0,0,0,0|1,0,0]=4 2609 B13R1.446 CCCC(=O)c1cc(ccc1Br)O 1458a_100012352043_100000210303 [2,1,0,0,0,0|1,0,0]=4 2610 B13R1.446 CCCC(=O)c1cc(ccc1C)O 1458a_100000687834_100000210303 [2,1,0,0,0,0|1,0,0]=4 2611 B13R1.446 CCCC(=O)c1cc(ccc1Cl)O 1458a_100000719527_100000210303 [2,1,0,0,0,0|1,0,0]=4 2612 B13R1.446 CCCC(=O)c1cc(ccc1F)O 1458a_100000037260_100000210303 [2,1,0,0,0,0|1,0,0]=4 2613 B13R1.446 CCCC(=O)c1cc(ccc1I)O 1458a_200009995701_100000210303 [2,1,0,0,0,0|1,0,0]=4 2614 B13R1.446 CCCC(=O)c1cc(ccc1O)O 1458a_100000758025_100000210303 [2,1,0,0,0,0|1,0,0]=4 2615 B13R1.446 CCNC(=O)c1cc(ccc1Br)O 240690a_100015525214_100012352043 [2,1,0,0,0,0|1,0,0]=4 2616 B13R1.446 CCNC(=O)c1cc(ccc1Br)O 527a_100015525214_100012352043 [2,1,0,0,0,0|1,0,0]=4 2617 B13R1.446 CCNC(=O)c1cc(ccc1C)O 240690a_100015525214_100000687834 [2,1,0,0,0,0|1,0,0]=4 2618 B13R1.446 CCNC(=O)c1cc(ccc1Cl)O 240690a_100015525214_100000719527 [2,1,0,0,0,0|1,0,0]=4 2619 B13R1.446 CCNC(=O)c1cc(ccc1Cl)O 527a_100015525214_100000719527 [2,1,0,0,0,0|1,0,0]=4 2620 B13R1.446 CCNC(=O)c1cc(ccc1F)O 240690a_100015525214_100000037260 [2,1,0,0,0,0|1,0,0]=4 2621 B13R1.446 CCNC(=O)c1cc(ccc1F)O 271570a_203496583355_100000155167 [2,1,0,0,0,0|1,0,0]=4 2622 B13R1.446 CCNC(=O)c1cc(ccc1F)O 527a_100015525214_100000037260 [2,1,0,0,0,0|1,0,0]=4 2623 B13R1.446 CCNC(=O)c1cc(ccc1I)O 240690a_100015525214_200009995701 [2,1,0,0,0,0|1,0,0]=4 2624 B13R1.446 CCNC(=O)c1cc(ccc1I)O 527a_100015525214_200009995701 [2,1,0,0,0,0|1,0,0]=4 2625 B13R1.446 CCOC(=O)c1cc(ccc1Br)O 271570a_203496583355_200012360513 [2,1,0,0,0,0|0,0,0]=3 2626 B13R1.446 CCOC(=O)c1cc(ccc1C)O 271570a_203496583355_100012360117 [2,1,0,0,0,0|0,0,0]=3 2627 B13R1.446 CCOC(=O)c1cc(ccc1Cl)O 271570a_203496583355_200012339456 [2,1,0,0,0,0|0,0,0]=3 2628 B13R1.446 CCOC(=O)c1cc(ccc1F)O 271570a_203496583355_100000716760 [2,1,0,0,0,0|0,0,0]=3 2629 B13R1.446 CCOC(=O)c1cc(ccc1N)O 271570a_203496583355_100000747833 [2,1,0,0,0,0|0,0,0]=3 2630 B13R1.446 CCOC(=O)c1cc(ccc1O)Br 271570a_203496583355_100000171027 [2,1,0,0,0,0|1,0,0]=4 2631 B13R1.446 CCOC(=O)c1cc(ccc1O)C 271570a_203496583355_200012353901 [2,1,0,0,0,0|1,0,0]=4 2632 B13R1.446 CCOC(=O)c1cc(ccc1O)Cl 271570a_203496583355_100011294803 [2,1,0,0,0,0|1,0,0]=4 2633 B13R1.446 CCOC(=O)c1cc(ccc1O)F 271570a_203496583355_100011206316 [2,1,0,0,0,0|1,0,0]=4 2634 B13R1.446 CCOC(=O)c1cc(ccc1O)O 271570a_203496583355_200000174078 [2,1,0,0,0,0|0,0,0]=3 2635 B13R1.446 CCOC(=O)c1cc(cnc1C)O 271570a_203496583355_100012232392 [2,1,0,0,0,0|1,0,0]=4 2636 B13R1.446 CCOC(=O)c1cc(cnc1F)O 271570a_203496583355_200010189675 [2,1,0,0,0,0|1,0,0]=4 2637 B13R1.446 CCOC(=O)c1cc(cnc1N)O 271570a_203496583355_100009816981 [2,1,0,0,0,0|1,0,0]=4 2638 B13R1.446 CCOC(=O)c1cc(cnc1O)O 271570a_203496583355_100010189763 [2,1,0,0,0,0|1,0,0]=4 2639 B13R1.446 CCOC(=O)c1cc(ncc1C)O 271570a_203496583355_100000083727 [2,1,0,0,0,0|1,0,0]=4 2640 B13R1.446 CCOC(=O)c1cc(ncc1F)O 271570a_203496583355_100010189748 [2,1,0,0,0,0|1,0,0]=4 2641 B13R1.446 CCOC(=O)c1cc(ncc1N)O 271570a_203496583355_100010759034 [2,1,0,0,0,0|1,0,0]=4 2642 B13R1.446 CCOC(=O)c1nc(ccc1C)O 271570a_203496583355_100009888570 [2,1,0,0,0,0|1,0,0]=4 2643 B13R1.446 CCOC(=O)c1nc(ccc1F)O 271570a_203496583355_100010189790 [2,1,0,0,0,0|1,0,0]=4 2644 B13R1.446 CCOC(=O)c1nc(ccc1N)O 271570a_203496583355_100010243813 [2,1,0,0,0,0|1,0,0]=4 2645 B13R1.446 CCOC(=O)c1nc(ccc1O)O 271570a_203496583355_200010189762 [2,1,0,0,0,0|1,0,0]=4 2646 B13R1.460 C=Cc1cccc(c1)C(=O)OCC 271570a_100011290941_100000170211 [2,1,0,0,0,0|1,0,0]=4 2647 B13R1.460 CCCC(=O)c1cccc(c1)CO 1458a_100000746274_100000210303 [2,1,0,0,0,0|1,0,0]=4 2648 B13R1.460 CCCC(=O)c1cccc(c1)OC 1458a_100000188888_100000210303 [2,1,0,0,0,0|1,0,0]=4 2649 B13R1.460 CCNC(=O)c1cccc(c1)CO 240690a_100015525214_100000746274 [2,1,0,0,0,0|1,0,0]=4 2650 B13R1.460 CCNC(=O)c1cccc(c1)OC 11a_100015525214_100000188888 [2,1,0,0,0,0|1,0,0]=4 2651 B13R1.460 CCNC(=O)c1cccc(c1)OC 240690a_100015525214_100000188888 [2,1,0,0,0,0|1,0,0]=4 2652 B13R1.460 CCNC(=O)c1cccc(c1)OC 527a_100015525214_100000188888 [2,1,0,0,0,0|1,0,0]=4 2653 B13R1.460 CCNC(=O)c1cccc(c1)OC 7a_100000160095_200000210301 [2,1,0,0,0,0|1,0,0]=4 2654 B13R1.460 CCNC(=O)c1cccc(c1)O[13CH3] 7a_100000160095_200025704644 [2,1,0,0,0,0|1,0,0]=4 2655 B13R1.460 CCOC(=O)c1cccc(c1)OC 7a_100000169910_200000210301 [2,1,0,0,0,0|0,0,0]=3 2656 B13R1.460 CCOC(=O)c1cccc(c1)O[13CH3] 7a_100000169910_200025704644 [2,1,0,0,0,0|0,0,0]=3 2657 B13R1.460 CCOC(=O)c1cccc(c1)SC 62a_100000170211_200000210301 [2,1,0,0,0,0|0,1,0]=4 2658 B13R1.460 CCOC(=O)c1cccc(c1)SC 62a_200000210301_100000170211 [2,1,0,0,0,0|0,1,0]=4 2659 B13R1.460 CCOC(=O)c1cccc(c1)S[13CH3] 62a_100000170211_200025704644 [2,1,0,0,0,0|0,1,0]=4 2660 B13R1.460 CCOC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000170211 [2,1,0,0,0,0|0,1,0]=4 2661 B13R1.460 CCOC(=O)c1cncc(c1)OC 7a_100000185702_200000210301 [2,1,0,0,0,0|1,0,0]=4 2662 B13R1.460 CCOC(=O)c1cncc(c1)O[13CH3] 7a_100000185702_200025704644 [2,1,0,0,0,0|1,0,0]=4 2663 B13R1.314 C=Cc1cc(cc(c1)C(=O)OC)O 271570a_100011290941_100000696291 [2,1,0,0,0,0|1,0,0]=4 2664 B13R1.314 CCC(=O)c1cc(cc(c1)CO)Cl 1458a_100009925505_100000210202 [2,1,0,0,0,0|1,0,0]=4 2665 B13R1.314 CCC(=O)c1cc(cc(c1)CO)F 1458a_100012278920_100000210202 [2,1,0,0,0,0|1,0,0]=4 2666 B13R1.314 CCC(=O)c1cc(cc(c1)OC)Br 1458a_100011934030_100000210202 [2,1,0,0,0,0|1,0,0]=4 2667 B13R1.314 CCC(=O)c1cc(cc(c1)OC)C 1458a_100000117910_100000210202 [2,1,0,0,0,0|1,0,0]=4 2668 B13R1.314 CCC(=O)c1cc(cc(c1)OC)Cl 1458a_100000066651_100000210202 [2,1,0,0,0,0|1,0,0]=4 2669 B13R1.314 CCC(=O)c1cc(cc(c1)OC)F 1458a_100011934639_100000210202 [2,1,0,0,0,0|1,0,0]=4 2670 B13R1.314 CCC(=O)c1cc(cc(c1)OC)I 1458a_200010292657_100000210202 [2,1,0,0,0,0|1,0,0]=4 2671 B13R1.314 CCC(=O)c1cc(cc(c1)OC)O 1458a_100000083963_100000210202 [2,1,0,0,0,0|0,0,0]=3 2672 B13R1.314 CNC(=O)c1cc(cc(c1)OC)O 240690a_100102657272_100000083963 [2,1,0,0,0,0|1,0,0]=4 2673 B13R1.314 CNC(=O)c1cc(cc(c1)OC)O 527a_100102657272_100000083963 [2,1,0,0,0,0|1,0,0]=4 2674 B13R1.314 COC(=O)c1cc(cc(c1)C#N)O 271570a_203496583355_200010072370 [2,1,0,0,0,0|1,0,0]=4 2675 B13R1.314 COC(=O)c1cc(cc(c1)C=O)O 271570a_203496583355_100010371122 [2,1,0,0,0,0|0,0,1]=4 2676 B13R1.314 COC(=O)c1cc(cc(c1)CN)O 271570a_203496583355_100134615983 [2,1,0,0,0,0|1,0,0]=4 2677 B13R1.314 COC(=O)c1cc(cc(c1)CO)O 271570a_203496583355_100010232996 [2,1,0,0,0,0|0,0,0]=3 2678 B13R1.314 COC(=O)c1cc(cc(c1)OC)Br 34a_100000696291_200000210301 [2,1,0,0,0,0|1,0,0]=4 2679 B13R1.314 COC(=O)c1cc(cc(c1)OC)Br 7a_100000696291_200000210301 [2,1,0,0,0,0|1,0,0]=4 2680 B13R1.314 COC(=O)c1cc(cc(c1)OC)Cl 34a_100009870047_200000210301 [2,1,0,0,0,0|1,0,0]=4 2681 B13R1.314 COC(=O)c1cc(cc(c1)OC)Cl 7a_100009870047_200000210301 [2,1,0,0,0,0|1,0,0]=4 2682 B13R1.314 COC(=O)c1cc(cc(c1)OC)F 34a_100000118610_200000210301 [2,1,0,0,0,0|1,0,0]=4 2683 B13R1.314 COC(=O)c1cc(cc(c1)OC)F 7a_100000118610_200000210301 [2,1,0,0,0,0|1,0,0]=4 2684 B13R1.314 COC(=O)c1cc(cc(c1)OC)N 34a_100000069914_200000210301 [2,1,0,0,0,0|1,0,0]=4 2685 B13R1.314 COC(=O)c1cc(cc(c1)OC)N 7a_100000069914_200000210301 [2,1,0,0,0,0|1,0,0]=4 2686 B13R1.314 COC(=O)c1cc(cc(c1)OC)O 271570a_203496583355_200010233337 [2,1,0,0,0,0|0,0,0]=3 2687 B13R1.314 COC(=O)c1cc(cc(c1)O[13CH3])Br 34a_100000696291_200025704644 [2,1,0,0,0,0|1,0,0]=4 2688 B13R1.314 COC(=O)c1cc(cc(c1)O[13CH3])Br 7a_100000696291_200025704644 [2,1,0,0,0,0|1,0,0]=4 2689 B13R1.314 COC(=O)c1cc(cc(c1)O[13CH3])Cl 34a_100009870047_200025704644 [2,1,0,0,0,0|1,0,0]=4 2690 B13R1.314 COC(=O)c1cc(cc(c1)O[13CH3])Cl 7a_100009870047_200025704644 [2,1,0,0,0,0|1,0,0]=4 2691 B13R1.314 COC(=O)c1cc(cc(c1)O[13CH3])F 34a_100000118610_200025704644 [2,1,0,0,0,0|1,0,0]=4 2692 B13R1.314 COC(=O)c1cc(cc(c1)O[13CH3])F 7a_100000118610_200025704644 [2,1,0,0,0,0|1,0,0]=4 2693 B13R1.314 COC(=O)c1cc(cc(c1)O[13CH3])N 34a_100000069914_200025704644 [2,1,0,0,0,0|1,0,0]=4 2694 B13R1.314 COC(=O)c1cc(cc(c1)O[13CH3])N 7a_100000069914_200025704644 [2,1,0,0,0,0|1,0,0]=4 2695 B13R1.314 COC(=O)c1cc(cc(c1)SC)O 62a_100000696291_200000210301 [2,1,0,0,0,0|0,1,0]=4 2696 B13R1.314 COC(=O)c1cc(cc(c1)SC)O 62a_200000210301_100000696291 [2,1,0,0,0,0|0,1,0]=4 2697 B13R1.314 COC(=O)c1cc(cc(c1)S[13CH3])O 62a_100000696291_200025704644 [2,1,0,0,0,0|0,1,0]=4 2698 B13R1.314 COC(=O)c1cc(cc(c1)S[13CH3])O 62a_200025704644_100000696291 [2,1,0,0,0,0|0,1,0]=4 2699 B13R1.314 COC(=O)c1cc(cc(n1)CO)O 271570a_203496583355_100010204487 [2,1,0,0,0,0|1,0,0]=4 2700 B13R1.314 COC(=O)c1cc(cc(n1)O)OC 271570a_203496583355_100010161163 [2,1,0,0,0,0|1,0,0]=4 2701 B13R1.314 COC(=O)c1cc(cc(n1)OC)O 271570a_203496583355_100010136341 [2,1,0,0,0,0|1,0,0]=4 2702 B13R1.314 COC(=O)c1cc(nc(c1)OC)O 271570a_203496583355_100009994165 [2,1,0,0,0,0|1,0,0]=4 2703 B13R1.314 COc1cc(cc(c1)C(=O)CF)O 1458a_100000083963_100015361967 [2,1,0,0,0,0|1,0,0]=4 2704 B13R1.3423 CC(C)C(=O)c1cc(cc(c1)Br)O 1458a_100011934545_100000210206 [2,1,0,0,0,0|1,0,0]=4 2705 B13R1.3423 CC(C)C(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_100000210206 [2,1,0,0,0,0|1,0,0]=4 2706 B13R1.3423 CC(C)C(=O)c1cc(cc(c1)F)O 1458a_100012017291_100000210206 [2,1,0,0,0,0|1,0,0]=4 2707 B13R1.3423 CC(C)C(=O)c1cc(cc(c1)F)O 271570a_203496583355_100012353570 [2,1,0,0,0,0|1,0,0]=4 2708 B13R1.3423 CN(C)C(=O)c1cc(cc(c1)O)O 240690a_100102631434_100000690292 [2,1,0,0,0,0|1,0,0]=4 2709 B13R1.3423 CN(C)C(=O)c1cc(cc(c1)O)O 527a_100102631434_100000690292 [2,1,0,0,0,0|1,0,0]=4 2710 B13R1.3423 Cc1cc(cc(c1)C(=O)C(C)C)O 1458a_100000094094_100000210206 [2,1,0,0,0,0|1,0,0]=4 2711 B13R1.4789 CCC(=O)c1cc(cc(c1C)O)Br 1458a_100011101721_100000210202 [2,1,0,0,0,0|1,0,0]=4 2712 B13R1.4789 CCC(=O)c1cc(cc(c1O)O)Br 1458a_200010196872_100000210202 [2,1,0,0,0,0|1,0,0]=4 2713 B13R1.4789 COC(=O)c1cc(cc(c1C)Br)O 271570a_203496583355_100012569200 [2,1,0,0,0,0|1,0,0]=4 2714 B13R1.4789 COC(=O)c1cc(cc(c1C)F)O 271570a_203496583355_100015527428 [2,1,0,0,0,0|1,0,0]=4 2715 B13R1.4789 COC(=O)c1cc(cc(c1C)N)O 271570a_203496583355_100012257200 [2,1,0,0,0,0|1,0,0]=4 2716 B13R1.4789 COC(=O)c1cc(cc(c1C)O)F 271570a_203496583355_100012347598 [2,1,0,0,0,0|1,0,0]=4 2717 B13R1.4789 COC(=O)c1cc(cc(c1C)O)O 271570a_203496583355_200011012443 [2,1,0,0,0,0|0,0,0]=3 2718 B13R1.4789 COC(=O)c1cc(cc(c1F)C)O 271570a_203496583355_200012928940 [2,1,0,0,0,0|1,0,0]=4 2719 B13R1.4789 COC(=O)c1cc(cc(c1F)F)O 271570a_203496583355_100012362532 [2,1,0,0,0,0|1,0,0]=4 2720 B13R1.4789 COC(=O)c1cc(cc(c1F)N)O 271570a_203496583355_100011794250 [2,1,0,0,0,0|1,0,0]=4 2721 B13R1.4789 COC(=O)c1cc(cc(c1N)C)O 271570a_203496583355_100011356660 [2,1,0,0,0,0|1,0,0]=4 2722 B13R1.4789 COC(=O)c1cc(cc(c1N)N)O 271570a_203496583355_100010127340 [2,1,0,0,0,0|1,0,0]=4 2723 B13R1.4789 COC(=O)c1cc(cc(c1N)O)Br 271570a_203496583355_100010726126 [2,1,0,0,0,0|1,0,0]=4 2724 B13R1.4789 COC(=O)c1cc(cc(c1N)O)C 271570a_203496583355_100000216481 [2,1,0,0,0,0|1,0,0]=4 2725 B13R1.4789 COC(=O)c1cc(cc(c1N)O)Cl 271570a_203496583355_100000043629 [2,1,0,0,0,0|1,0,0]=4 2726 B13R1.4789 COC(=O)c1cc(cc(c1O)O)Br 271570a_203496583355_100009996593 [2,1,0,0,0,0|1,0,0]=4 2727 B13R1.17 CCCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210211 [2,1,0,0,0,0|1,0,0]=4 2728 B13R1.17 CCCCC(=O)c1ccc(cc1)O 271570a_203496583355_100011215321 [2,1,0,0,0,0|1,0,0]=4 2729 B13R1.17 CCCNC(=O)c1ccc(cc1)O 240690a_100020643023_100000212099 [2,1,0,0,0,0|1,0,0]=4 2730 B13R1.17 CCCNC(=O)c1ccc(cc1)O 271570a_203496583355_200000152267 [2,1,0,0,0,0|1,0,0]=4 2731 B13R1.17 CCCNC(=O)c1ccc(cc1)O 527a_100020643023_100000212099 [2,1,0,0,0,0|1,0,0]=4 2732 B13R1.17 CCNNC(=O)c1ccc(cc1)O 22a_100000756455_100000212099 [2,1,0,0,0,0|1,0,0]=4 2733 B13R1.17 CCOCC(=O)c1ccc(cc1)Br 34a_100121572206_100000188085 [2,1,0,0,0,0|1,0,0]=4 2734 B13R1.17 CCOCC(=O)c1ccc(cc1)C 34a_100121572206_100000211441 [2,1,0,0,0,0|1,0,0]=4 2735 B13R1.17 CCOCC(=O)c1ccc(cc1)F 34a_100000246311_100000210202 [2,1,0,0,0,0|1,0,0]=4 2736 B13R1.17 CCOCC(=O)c1ccc(cc1)I 34a_100121572206_100011216261 [2,1,0,0,0,0|1,0,0]=4 2737 B13R1.17 CCOCC(=O)c1ccc(cc1)O 34a_100121572206_100009814261 [2,1,0,0,0,0|0,0,0]=3 2738 B13R1.17 CCSCC(=O)c1ccc(cc1)O 62a_100000210202_100009814261 [2,1,0,0,0,0|0,1,0]=4 2739 B13R1.17 CCSCC(=O)c1ccc(cc1)O 62a_100009814261_100000210202 [2,1,0,0,0,0|0,1,0]=4 2740 B13R1.17 CNCCC(=O)c1ccc(cc1)O 2230a_106832991635_100009879949 [2,1,0,0,0,0|1,0,0]=4 2741 B13R1.17 CNCCC(=O)c1ccc(cc1)O 7a_106832991635_100009879949 [2,1,0,0,0,0|1,0,0]=4 2742 B13R1.17 COCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000233755 [2,1,0,0,0,0|1,0,0]=4 2743 B13R1.17 CSCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000751147 [2,1,0,0,0,0|1,0,0]=4 2744 B13R1.17 CSCCC(=O)c1ccc(cc1)O 62a_200000210301_100009879949 [2,1,0,0,0,0|1,0,0]=4 2745 B13R1.17 O=C(CCCF)c1ccc(cc1)O 1458a_100000212099_100011934791 [2,1,0,0,0,0|1,0,0]=4 2746 B13R1.17 O=C(CCCO)c1ccc(cc1)O 1458a_100000212099_100011215043 [2,1,0,0,0,0|1,0,0]=4 2747 B13R1.17 O=C(NCCF)c1ccc(cc1)O 240690a_100000724931_100000212099 [2,1,0,0,0,0|1,0,0]=4 2748 B13R1.17 O=C(NCCF)c1ccc(cc1)O 527a_100000724931_100000212099 [2,1,0,0,0,0|1,0,0]=4 2749 B13R1.17 O=C(NCCO)c1ccc(cc1)O 240690a_100000210304_100000212099 [2,1,0,0,0,0|1,0,0]=4 2750 B13R1.17 O=C(NCCO)c1ccc(cc1)O 271570a_203496583355_200000158904 [2,1,0,0,0,0|1,0,0]=4 2751 B13R1.17 O=C(NCCO)c1ccc(cc1)O 527a_100000210304_100000212099 [2,1,0,0,0,0|1,0,0]=4 2752 B13R1.17 [13CH3]SCCC(=O)c1ccc(cc1)O 62a_200025704644_100009879949 [2,1,0,0,0,0|1,0,0]=4 2753 B13R1.21 CCC(C)C(=O)c1ccc(cc1)O 1458a_100000212099_100000758301 [2,1,0,0,0,0|1,0,0]=4 2754 B13R1.21 CCN(C)C(=O)c1ccc(cc1)O 240690a_100000225621_100000212099 [2,1,0,0,0,0|1,0,0]=4 2755 B13R1.21 CCN(C)C(=O)c1ccc(cc1)O 527a_100000225621_100000212099 [2,1,0,0,0,0|1,0,0]=4 2756 B13R1.132 CC(C)CC(=O)c1ccc(cc1)O 1458a_100000212099_100000210624 [2,1,0,0,0,0|1,0,0]=4 2757 B13R1.132 CC(C)NC(=O)c1ccc(cc1)O 240690a_100138425928_100000212099 [2,1,0,0,0,0|1,0,0]=4 2758 B13R1.132 CC(C)NC(=O)c1ccc(cc1)O 271570a_203496583355_200000152628 [2,1,0,0,0,0|1,0,0]=4 2759 B13R1.132 CC(C)NC(=O)c1ccc(cc1)O 527a_100138425928_100000212099 [2,1,0,0,0,0|1,0,0]=4 2760 B13R1.132 CC(O)CC(=O)c1ccc(cc1)O 1458a_100000212099_100011218427 [2,1,0,0,0,0|1,0,0]=4 2761 B13R1.452 C=Cc1ccc(cc1)C(=O)OCC 271570a_100011290941_100000170077 [2,1,0,0,0,0|1,0,0]=4 2762 B13R1.452 CCCC(=O)c1ccc(cc1)CO 1458a_100000183892_100000210303 [2,1,0,0,0,0|1,0,0]=4 2763 B13R1.452 CCCC(=O)c1ccc(cc1)OC 1458a_100000184203_100000210303 [2,1,0,0,0,0|1,0,0]=4 2764 B13R1.452 CCCC(=O)c1ccc(cc1)OC 34a_100011216482_200000210301 [2,1,0,0,0,0|1,0,0]=4 2765 B13R1.452 CCCC(=O)c1ccc(cc1)OC 7a_100011216482_200000210301 [2,1,0,0,0,0|1,0,0]=4 2766 B13R1.452 CCCC(=O)c1ccc(cc1)O[13CH3] 34a_100011216482_200025704644 [2,1,0,0,0,0|1,0,0]=4 2767 B13R1.452 CCCC(=O)c1ccc(cc1)O[13CH3] 7a_100011216482_200025704644 [2,1,0,0,0,0|1,0,0]=4 2768 B13R1.452 CCNC(=O)c1ccc(cc1)CO 240690a_100015525214_100000183892 [2,1,0,0,0,0|1,0,0]=4 2769 B13R1.452 CCNC(=O)c1ccc(cc1)OC 11a_100015525214_100000184203 [2,1,0,0,0,0|1,0,0]=4 2770 B13R1.452 CCNC(=O)c1ccc(cc1)OC 240690a_100015525214_100000184203 [2,1,0,0,0,0|1,0,0]=4 2771 B13R1.452 CCNC(=O)c1ccc(cc1)OC 527a_100015525214_100000184203 [2,1,0,0,0,0|1,0,0]=4 2772 B13R1.452 CCOC(=O)c1ccc(cc1)OC 34a_100000169885_200000210301 [2,1,0,0,0,0|0,0,0]=3 2773 B13R1.452 CCOC(=O)c1ccc(cc1)OC 7a_100000169885_200000210301 [2,1,0,0,0,0|0,0,0]=3 2774 B13R1.452 CCOC(=O)c1ccc(cc1)O[13CH3] 34a_100000169885_200025704644 [2,1,0,0,0,0|0,0,0]=3 2775 B13R1.452 CCOC(=O)c1ccc(cc1)O[13CH3] 7a_100000169885_200025704644 [2,1,0,0,0,0|0,0,0]=3 2776 B13R1.452 CCOC(=O)c1ccc(cc1)SC 62a_100000169895_200000210301 [2,1,0,0,0,0|0,1,0]=4 2777 B13R1.452 CCOC(=O)c1ccc(cc1)SC 62a_200000210301_100000169919 [2,1,0,0,0,0|0,1,0]=4 2778 B13R1.452 CCOC(=O)c1ccc(cc1)S[13CH3] 62a_100000169895_200025704644 [2,1,0,0,0,0|0,1,0]=4 2779 B13R1.452 CCOC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000169919 [2,1,0,0,0,0|0,1,0]=4 2780 B13R1.1511 CCCC(=O)c1ccc(cc1Br)O 1458a_100012344906_100000210303 [2,1,0,0,0,0|1,0,0]=4 2781 B13R1.1511 CCCC(=O)c1ccc(cc1C)O 1458a_100000692822_100000210303 [2,1,0,0,0,0|1,0,0]=4 2782 B13R1.1511 CCCC(=O)c1ccc(cc1Cl)O 1458a_100000702456_100000210303 [2,1,0,0,0,0|1,0,0]=4 2783 B13R1.1511 CCCC(=O)c1ccc(cc1F)O 1458a_100000689029_100000210303 [2,1,0,0,0,0|1,0,0]=4 2784 B13R1.1511 CCCC(=O)c1ccc(cc1F)O 271570a_203496583355_100012345046 [2,1,0,0,0,0|1,0,0]=4 2785 B13R1.1511 CCCC(=O)c1ccc(cc1O)O 1458a_100000212172_100000210303 [2,1,0,0,0,0|1,0,0]=4 2786 B13R1.1511 CCNC(=O)c1ccc(cc1Br)O 240690a_100015525214_100012344906 [2,1,0,0,0,0|1,0,0]=4 2787 B13R1.1511 CCNC(=O)c1ccc(cc1Br)O 527a_100015525214_100012344906 [2,1,0,0,0,0|1,0,0]=4 2788 B13R1.1511 CCNC(=O)c1ccc(cc1C)O 240690a_100015525214_100000692822 [2,1,0,0,0,0|1,0,0]=4 2789 B13R1.1511 CCNC(=O)c1ccc(cc1C)O 527a_100015525214_100000692822 [2,1,0,0,0,0|1,0,0]=4 2790 B13R1.1511 CCNC(=O)c1ccc(cc1Cl)O 240690a_100015525214_100000702456 [2,1,0,0,0,0|1,0,0]=4 2791 B13R1.1511 CCNC(=O)c1ccc(cc1Cl)O 527a_100015525214_100000702456 [2,1,0,0,0,0|1,0,0]=4 2792 B13R1.1511 CCNC(=O)c1ccc(cc1F)O 240690a_100015525214_100000689029 [2,1,0,0,0,0|1,0,0]=4 2793 B13R1.1511 CCNC(=O)c1ccc(cc1F)O 271570a_203496583355_200000215476 [2,1,0,0,0,0|1,0,0]=4 2794 B13R1.1511 CCNC(=O)c1ccc(cc1F)O 527a_100015525214_100000689029 [2,1,0,0,0,0|1,0,0]=4 2795 B13R1.1511 CCOC(=O)c1ccc(cc1C)O 271570a_203496583355_100011327926 [2,1,0,0,0,0|0,0,0]=3 2796 B13R1.1511 CCOC(=O)c1ccc(cc1Cl)O 271570a_203496583355_100000060723 [2,1,0,0,0,0|0,0,0]=3 2797 B13R1.1511 CCOC(=O)c1ccc(cc1F)O 271570a_203496583355_100010244673 [2,1,0,0,0,0|0,0,0]=3 2798 B13R1.1511 CCOC(=O)c1ccc(cc1O)C 271570a_203496583355_200012185120 [2,1,0,0,0,0|1,0,0]=4 2799 B13R1.1511 CCOC(=O)c1ccc(cc1O)Cl 271570a_203496583355_100000047509 [2,1,0,0,0,0|1,0,0]=4 2800 B13R1.1511 CCOC(=O)c1ccc(cc1O)F 271570a_203496583355_100011206307 [2,1,0,0,0,0|1,0,0]=4 2801 B13R1.1511 CCOC(=O)c1ccc(nc1C)O 271570a_203496583355_100000106303 [2,1,0,0,0,0|1,0,0]=4 2802 B13R1.1511 CCOC(=O)c1ncc(cc1C)O 271570a_203496583355_100010201522 [2,1,0,0,0,0|1,0,0]=4 2803 B13R1.1511 CCOC(=O)c1ncc(cc1N)O 271570a_203496583355_100010230144 [2,1,0,0,0,0|1,0,0]=4 2804 B13R1.1511 CCOC(=O)c1ncc(cc1O)O 271570a_203496583355_100016103240 [2,1,0,0,0,0|1,0,0]=4 2805 B13R1.49 C=Cc1cc(ccc1O)C(=O)OC 271570a_100011290941_100000216328 [2,1,0,0,0,0|1,0,0]=4 2806 B13R1.49 CCC(=O)c1ccc(c(c1)C#N)O 1458a_100009875055_100000210202 [2,1,0,0,0,0|1,0,0]=4 2807 B13R1.49 CCC(=O)c1ccc(c(c1)CO)Br 1458a_100010218026_100000210202 [2,1,0,0,0,0|1,0,0]=4 2808 B13R1.49 CCC(=O)c1ccc(c(c1)CO)F 1458a_100011803322_100000210202 [2,1,0,0,0,0|1,0,0]=4 2809 B13R1.49 CCC(=O)c1ccc(c(c1)OC)Br 1458a_100011934951_100000210202 [2,1,0,0,0,0|1,0,0]=4 2810 B13R1.49 CCC(=O)c1ccc(c(c1)OC)C 1458a_100000212341_100000210202 [2,1,0,0,0,0|1,0,0]=4 2811 B13R1.49 CCC(=O)c1ccc(c(c1)OC)Cl 1458a_100000181799_100000210202 [2,1,0,0,0,0|1,0,0]=4 2812 B13R1.49 CCC(=O)c1ccc(c(c1)OC)F 1458a_100000757635_100000210202 [2,1,0,0,0,0|1,0,0]=4 2813 B13R1.49 CCC(=O)c1ccc(c(c1)OC)I 1458a_100012356290_100000210202 [2,1,0,0,0,0|1,0,0]=4 2814 B13R1.49 CCC(=O)c1ccc(c(c1)OC)O 1458a_100000687070_100000210202 [2,1,0,0,0,0|0,0,0]=3 2815 B13R1.49 CNC(=O)c1ccc(c(c1)OC)O 240690a_100102657272_100000687070 [2,1,0,0,0,0|1,0,0]=4 2816 B13R1.49 COC(=O)c1cc(c(cn1)O)OC 271570a_203496583355_100010136178 [2,1,0,0,0,0|1,0,0]=4 2817 B13R1.49 COC(=O)c1ccc(c(c1)C#N)O 271570a_203496583355_100010150795 [2,1,0,0,0,0|1,0,0]=4 2818 B13R1.49 COC(=O)c1ccc(c(c1)C=O)O 271570a_203496583355_100012274322 [2,1,0,0,0,0|0,0,1]=4 2819 B13R1.49 COC(=O)c1ccc(c(c1)CO)O 271570a_203496583355_100010201863 [2,1,0,0,0,0|0,0,0]=3 2820 B13R1.49 COC(=O)c1ccc(c(c1)OC)Br 34a_100011934688_200000210301 [2,1,0,0,0,0|1,0,0]=4 2821 B13R1.49 COC(=O)c1ccc(c(c1)OC)Br 7a_100011934688_200000210301 [2,1,0,0,0,0|1,0,0]=4 2822 B13R1.49 COC(=O)c1ccc(c(c1)OC)C 34a_100000736511_200000210301 [2,1,0,0,0,0|1,0,0]=4 2823 B13R1.49 COC(=O)c1ccc(c(c1)OC)C 7a_100000736511_200000210301 [2,1,0,0,0,0|1,0,0]=4 2824 B13R1.49 COC(=O)c1ccc(c(c1)OC)Cl 34a_100000103815_200000210301 [2,1,0,0,0,0|1,0,0]=4 2825 B13R1.49 COC(=O)c1ccc(c(c1)OC)Cl 7a_100000103815_200000210301 [2,1,0,0,0,0|1,0,0]=4 2826 B13R1.49 COC(=O)c1ccc(c(c1)OC)F 34a_100000062259_200000210301 [2,1,0,0,0,0|1,0,0]=4 2827 B13R1.49 COC(=O)c1ccc(c(c1)OC)F 7a_100000062259_200000210301 [2,1,0,0,0,0|1,0,0]=4 2828 B13R1.49 COC(=O)c1ccc(c(c1)OC)I 34a_100012350776_200000210301 [2,1,0,0,0,0|1,0,0]=4 2829 B13R1.49 COC(=O)c1ccc(c(c1)OC)I 7a_100012350776_200000210301 [2,1,0,0,0,0|1,0,0]=4 2830 B13R1.49 COC(=O)c1ccc(c(c1)OC)N 34a_100000757247_200000210301 [2,1,0,0,0,0|1,0,0]=4 2831 B13R1.49 COC(=O)c1ccc(c(c1)OC)N 7a_100000757247_200000210301 [2,1,0,0,0,0|1,0,0]=4 2832 B13R1.49 COC(=O)c1ccc(c(c1)OC)O 271570a_203496583355_100009816954 [2,1,0,0,0,0|0,0,0]=3 2833 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])Br 34a_100011934688_200025704644 [2,1,0,0,0,0|1,0,0]=4 2834 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])Br 7a_100011934688_200025704644 [2,1,0,0,0,0|1,0,0]=4 2835 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])C 34a_100000736511_200025704644 [2,1,0,0,0,0|1,0,0]=4 2836 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])C 7a_100000736511_200025704644 [2,1,0,0,0,0|1,0,0]=4 2837 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])Cl 34a_100000103815_200025704644 [2,1,0,0,0,0|1,0,0]=4 2838 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])Cl 7a_100000103815_200025704644 [2,1,0,0,0,0|1,0,0]=4 2839 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])F 34a_100000062259_200025704644 [2,1,0,0,0,0|1,0,0]=4 2840 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])F 7a_100000062259_200025704644 [2,1,0,0,0,0|1,0,0]=4 2841 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])I 34a_100012350776_200025704644 [2,1,0,0,0,0|1,0,0]=4 2842 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])I 7a_100012350776_200025704644 [2,1,0,0,0,0|1,0,0]=4 2843 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])N 34a_100000757247_200025704644 [2,1,0,0,0,0|1,0,0]=4 2844 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])N 7a_100000757247_200025704644 [2,1,0,0,0,0|1,0,0]=4 2845 B13R1.49 COC(=O)c1ccc(c(c1)SC)O 62a_100000216328_200000210301 [2,1,0,0,0,0|0,1,0]=4 2846 B13R1.49 COC(=O)c1ccc(c(c1)SC)O 62a_200000210301_100000216328 [2,1,0,0,0,0|0,1,0]=4 2847 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])O 62a_100000216328_200025704644 [2,1,0,0,0,0|0,1,0]=4 2848 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])O 62a_200025704644_100000216328 [2,1,0,0,0,0|0,1,0]=4 2849 B13R1.49 COC(=O)c1ccc(c(n1)OC)O 271570a_203496583355_100010189641 [2,1,0,0,0,0|1,0,0]=4 2850 B13R1.49 COC(=O)c1cnc(c(c1)OC)O 271570a_203496583355_100010074909 [2,1,0,0,0,0|1,0,0]=4 2851 B13R1.49 COc1cc(ccc1O)C(=O)CF 1458a_100000687070_100015361967 [2,1,0,0,0,0|1,0,0]=4 2852 B13R1.510 CC(C)C(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100000210206 [2,1,0,0,0,0|1,0,0]=4 2853 B13R1.510 CC(C)C(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100000210206 [2,1,0,0,0,0|1,0,0]=4 2854 B13R1.510 CC(C)C(=O)c1ccc(c(c1)F)O 1458a_100000185466_100000210206 [2,1,0,0,0,0|1,0,0]=4 2855 B13R1.510 CC(C)C(=O)c1ccc(c(c1)I)O 1458a_100000037485_100000210206 [2,1,0,0,0,0|1,0,0]=4 2856 B13R1.510 CC(C)C(=O)c1ccc(c(c1)O)Br 1458a_100000689001_100000210206 [2,1,0,0,0,0|1,0,0]=4 2857 B13R1.510 CC(C)C(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_100000210206 [2,1,0,0,0,0|1,0,0]=4 2858 B13R1.510 CC(C)C(=O)c1ccc(c(c1)O)F 1458a_100000035894_100000210206 [2,1,0,0,0,0|1,0,0]=4 2859 B13R1.510 CC(C)C(=O)c1ccc(c(c1)O)I 1458a_100000239334_100000210206 [2,1,0,0,0,0|1,0,0]=4 2860 B13R1.510 CC(C)C(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000210206 [2,1,0,0,0,0|0,0,0]=3 2861 B13R1.510 Cc1cc(ccc1O)C(=O)C(C)C 1458a_100000685612_100000210206 [2,1,0,0,0,0|1,0,0]=4 2862 B13R1.510 Cc1ccc(cc1O)C(=O)C(C)C 1458a_100000233767_100000210206 [2,1,0,0,0,0|1,0,0]=4 2863 B13R1.1807 CCC(=O)c1cc(c(cc1F)C)O 1458a_100009839767_100000210202 [2,1,0,0,0,0|1,0,0]=4 2864 B13R1.1807 CCC(=O)c1cc(c(cc1F)O)Cl 1458a_200009924051_100000210202 [2,1,0,0,0,0|1,0,0]=4 2865 B13R1.1807 CCC(=O)c1cc(c(cc1O)O)Br 1458a_100009813906_100000210202 [2,1,0,0,0,0|1,0,0]=4 2866 B13R1.1807 COC(=O)c1cc(c(cc1C)C)O 271570a_203496583355_200012360129 [2,1,0,0,0,0|1,0,0]=4 2867 B13R1.1807 COC(=O)c1cc(c(cc1C)F)O 271570a_203496583355_100013328185 [2,1,0,0,0,0|1,0,0]=4 2868 B13R1.1807 COC(=O)c1cc(c(cc1C)N)O 271570a_203496583355_100010236254 [2,1,0,0,0,0|1,0,0]=4 2869 B13R1.1807 COC(=O)c1cc(c(cc1C)O)F 271570a_203496583355_100010291504 [2,1,0,0,0,0|1,0,0]=4 2870 B13R1.1807 COC(=O)c1cc(c(cc1Cl)C)O 271570a_203496583355_100014124666 [2,1,0,0,0,0|1,0,0]=4 2871 B13R1.1807 COC(=O)c1cc(c(cc1Cl)N)O 271570a_203496583355_100010204190 [2,1,0,0,0,0|1,0,0]=4 2872 B13R1.1807 COC(=O)c1cc(c(cc1F)C)O 271570a_203496583355_100012920548 [2,1,0,0,0,0|1,0,0]=4 2873 B13R1.1807 COC(=O)c1cc(c(cc1F)Cl)O 271570a_203496583355_100012920370 [2,1,0,0,0,0|1,0,0]=4 2874 B13R1.1807 COC(=O)c1cc(c(cc1F)F)O 271570a_203496583355_100000718433 [2,1,0,0,0,0|1,0,0]=4 2875 B13R1.1807 COC(=O)c1cc(c(cc1F)N)O 271570a_203496583355_100010764354 [2,1,0,0,0,0|1,0,0]=4 2876 B13R1.1807 COC(=O)c1cc(c(cc1F)O)F 271570a_203496583355_100010769226 [2,1,0,0,0,0|1,0,0]=4 2877 B13R1.1807 COC(=O)c1cc(c(cc1F)O)N 271570a_203496583355_100000760059 [2,1,0,0,0,0|1,0,0]=4 2878 B13R1.1807 COC(=O)c1cc(c(cc1N)C)O 271570a_203496583355_100010892302 [2,1,0,0,0,0|1,0,0]=4 2879 B13R1.1807 COC(=O)c1cc(c(cc1N)Cl)O 271570a_203496583355_100010253894 [2,1,0,0,0,0|1,0,0]=4 2880 B13R1.1807 COC(=O)c1cc(c(cc1N)F)O 271570a_203496583355_100000699149 [2,1,0,0,0,0|1,0,0]=4 2881 B13R1.1807 COC(=O)c1cc(c(cc1N)O)F 271570a_203496583355_100000724440 [2,1,0,0,0,0|1,0,0]=4 2882 B13R1.1807 COC(=O)c1cc(c(cc1O)C)O 271570a_203496583355_100010233952 [2,1,0,0,0,0|1,0,0]=4 2883 B13R1.1807 COC(=O)c1cc(c(cc1O)F)O 271570a_203496583355_100010371811 [2,1,0,0,0,0|1,0,0]=4 2884 B13R1.1807 COC(=O)c1cc(c(cc1O)N)O 271570a_203496583355_100010075205 [2,1,0,0,0,0|1,0,0]=4 2885 B13R1.1807 COC(=O)c1cc(c(cc1O)O)F 271570a_203496583355_100010760826 [2,1,0,0,0,0|1,0,0]=4 2886 B13R1.1807 COC(=O)c1cc(c(nc1C)O)O 271570a_203496583355_100000729808 [2,1,0,0,0,0|1,0,0]=4 2887 B13R1.1808 CCC(=O)c1ccc(c(c1Br)O)Br 1458a_100016068111_100000210202 [2,1,0,0,0,0|1,0,0]=4 2888 B13R1.1808 CCC(=O)c1ccc(c(c1Cl)O)O 1458a_100009910189_100000210202 [2,1,0,0,0,0|0,0,0]=3 2889 B13R1.1808 CCC(=O)c1ccc(c(c1F)F)O 1458a_100000036740_100000210202 [2,1,0,0,0,0|1,0,0]=4 2890 B13R1.1808 CCC(=O)c1ccc(c(c1F)O)F 1458a_100000084588_100000210202 [2,1,0,0,0,0|1,0,0]=4 2891 B13R1.1808 CCC(=O)c1ccc(c(c1O)O)O 1458a_100000037941_100000210202 [2,1,0,0,0,0|0,0,0]=3 2892 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)O)O 240690a_100102657272_100009910189 [2,1,0,0,0,0|1,0,0]=4 2893 B13R1.1808 COC(=O)c1ccc(c(c1C)C)O 271570a_203496583355_100010761469 [2,1,0,0,0,0|1,0,0]=4 2894 B13R1.1808 COC(=O)c1ccc(c(c1C)F)O 271570a_203496583355_100010291505 [2,1,0,0,0,0|1,0,0]=4 2895 B13R1.1808 COC(=O)c1ccc(c(c1C)O)C 271570a_203496583355_200010734123 [2,1,0,0,0,0|1,0,0]=4 2896 B13R1.1808 COC(=O)c1ccc(c(c1C)O)N 271570a_203496583355_100010764323 [2,1,0,0,0,0|1,0,0]=4 2897 B13R1.1808 COC(=O)c1ccc(c(c1C)O)O 271570a_203496583355_100010889012 [2,1,0,0,0,0|0,0,0]=3 2898 B13R1.1808 COC(=O)c1ccc(c(c1Cl)O)N 271570a_203496583355_200016031531 [2,1,0,0,0,0|1,0,0]=4 2899 B13R1.1808 COC(=O)c1ccc(c(c1F)C)O 271570a_203496583355_100010172522 [2,1,0,0,0,0|1,0,0]=4 2900 B13R1.1808 COC(=O)c1ccc(c(c1F)F)O 271570a_203496583355_100010982024 [2,1,0,0,0,0|1,0,0]=4 2901 B13R1.1808 COC(=O)c1ccc(c(c1F)O)F 271570a_203496583355_100000697099 [2,1,0,0,0,0|1,0,0]=4 2902 B13R1.1808 COC(=O)c1ccc(c(c1F)O)O 271570a_203496583355_100011096176 [2,1,0,0,0,0|0,0,0]=3 2903 B13R1.1808 COC(=O)c1ccc(c(c1N)C)O 271570a_203496583355_100000764893 [2,1,0,0,0,0|1,0,0]=4 2904 B13R1.1808 COC(=O)c1ccc(c(c1N)F)O 271570a_203496583355_100022009169 [2,1,0,0,0,0|1,0,0]=4 2905 B13R1.1808 COC(=O)c1ccc(c(c1O)F)O 271570a_203496583355_100011092008 [2,1,0,0,0,0|1,0,0]=4 2906 B13R1.1808 O=C(CF)c1ccc(c(c1Cl)O)O 1458a_100009910189_100015361967 [2,1,0,0,0,0|1,0,0]=4 2907 B13R1.1808 O=C(CF)c1ccc(c(c1O)O)O 1458a_100000037941_100015361967 [2,1,0,0,0,0|1,0,0]=4 2908 B13R1.3088 C=Cc1ccc(cc1O)C(=O)OC 271570a_100011290941_100012350776 [2,1,0,0,0,0|1,0,0]=4 2909 B13R1.3088 CCC(=O)c1ccc(c(c1)Br)OC 1458a_100000187947_100000210202 [2,1,0,0,0,0|1,0,0]=4 2910 B13R1.3088 CCC(=O)c1ccc(c(c1)C)OC 1458a_100011202886_100000210202 [2,1,0,0,0,0|1,0,0]=4 2911 B13R1.3088 CCC(=O)c1ccc(c(c1)Cl)OC 1458a_100000188346_100000210202 [2,1,0,0,0,0|1,0,0]=4 2912 B13R1.3088 CCC(=O)c1ccc(c(c1)Cl)OC 34a_100011218862_200000210301 [2,1,0,0,0,0|1,0,0]=4 2913 B13R1.3088 CCC(=O)c1ccc(c(c1)Cl)OC 7a_100011218862_200000210301 [2,1,0,0,0,0|1,0,0]=4 2914 B13R1.3088 CCC(=O)c1ccc(c(c1)Cl)O[13CH3] 34a_100011218862_200025704644 [2,1,0,0,0,0|1,0,0]=4 2915 B13R1.3088 CCC(=O)c1ccc(c(c1)Cl)O[13CH3] 7a_100011218862_200025704644 [2,1,0,0,0,0|1,0,0]=4 2916 B13R1.3088 CCC(=O)c1ccc(c(c1)F)CO 1458a_100000687192_100000210202 [2,1,0,0,0,0|1,0,0]=4 2917 B13R1.3088 CCC(=O)c1ccc(c(c1)F)OC 1458a_100000186160_100000210202 [2,1,0,0,0,0|1,0,0]=4 2918 B13R1.3088 CCC(=O)c1ccc(c(c1)I)OC 1458a_100000188716_100000210202 [2,1,0,0,0,0|1,0,0]=4 2919 B13R1.3088 CCC(=O)c1ccc(c(c1)O)CC 1458a_100000089006_100000210202 [2,1,0,0,0,0|1,0,0]=4 2920 B13R1.3088 CCC(=O)c1ccc(c(c1)O)OC 1458a_100000766810_100000210202 [2,1,0,0,0,0|0,0,0]=3 2921 B13R1.3088 CCc1ccc(cc1O)C(=O)OC 271570a_203496583355_200012360130 [2,1,0,0,0,0|1,0,0]=4 2922 B13R1.3088 CNC(=O)c1ccc(c(c1)O)OC 240690a_100102657272_100000766810 [2,1,0,0,0,0|1,0,0]=4 2923 B13R1.3088 CNC(=O)c1ccc(c(c1)O)OC 527a_100102657272_100000766810 [2,1,0,0,0,0|1,0,0]=4 2924 B13R1.3088 COC(=O)c1cc(c(cn1)OC)O 271570a_203496583355_200010136175 [2,1,0,0,0,0|1,0,0]=4 2925 B13R1.3088 COC(=O)c1ccc(c(c1)Br)OC 34a_100000216328_200000210301 [2,1,0,0,0,0|1,0,0]=4 2926 B13R1.3088 COC(=O)c1ccc(c(c1)Br)OC 7a_100000216328_200000210301 [2,1,0,0,0,0|1,0,0]=4 2927 B13R1.3088 COC(=O)c1ccc(c(c1)Br)O[13CH3] 34a_100000216328_200025704644 [2,1,0,0,0,0|1,0,0]=4 2928 B13R1.3088 COC(=O)c1ccc(c(c1)Br)O[13CH3] 7a_100000216328_200025704644 [2,1,0,0,0,0|1,0,0]=4 2929 B13R1.3088 COC(=O)c1ccc(c(c1)C)OC 34a_100011997373_200000210301 [2,1,0,0,0,0|1,0,0]=4 2930 B13R1.3088 COC(=O)c1ccc(c(c1)C)OC 7a_100011997373_200000210301 [2,1,0,0,0,0|1,0,0]=4 2931 B13R1.3088 COC(=O)c1ccc(c(c1)C)O[13CH3] 34a_100011997373_200025704644 [2,1,0,0,0,0|1,0,0]=4 2932 B13R1.3088 COC(=O)c1ccc(c(c1)C)O[13CH3] 7a_100011997373_200025704644 [2,1,0,0,0,0|1,0,0]=4 2933 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)OC 34a_100000151454_200000210301 [2,1,0,0,0,0|1,0,0]=4 2934 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)OC 7a_100000151454_200000210301 [2,1,0,0,0,0|1,0,0]=4 2935 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)O[13CH3] 34a_100000151454_200025704644 [2,1,0,0,0,0|1,0,0]=4 2936 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)O[13CH3] 7a_100000151454_200025704644 [2,1,0,0,0,0|1,0,0]=4 2937 B13R1.3088 COC(=O)c1ccc(c(c1)F)OC 34a_100000075456_200000210301 [2,1,0,0,0,0|1,0,0]=4 2938 B13R1.3088 COC(=O)c1ccc(c(c1)F)OC 7a_100000075456_200000210301 [2,1,0,0,0,0|1,0,0]=4 2939 B13R1.3088 COC(=O)c1ccc(c(c1)F)O[13CH3] 34a_100000075456_200025704644 [2,1,0,0,0,0|1,0,0]=4 2940 B13R1.3088 COC(=O)c1ccc(c(c1)F)O[13CH3] 7a_100000075456_200025704644 [2,1,0,0,0,0|1,0,0]=4 2941 B13R1.3088 COC(=O)c1ccc(c(c1)I)OC 34a_100010162523_200000210301 [2,1,0,0,0,0|1,0,0]=4 2942 B13R1.3088 COC(=O)c1ccc(c(c1)I)OC 7a_100010162523_200000210301 [2,1,0,0,0,0|1,0,0]=4 2943 B13R1.3088 COC(=O)c1ccc(c(c1)I)O[13CH3] 34a_100010162523_200025704644 [2,1,0,0,0,0|1,0,0]=4 2944 B13R1.3088 COC(=O)c1ccc(c(c1)I)O[13CH3] 7a_100010162523_200025704644 [2,1,0,0,0,0|1,0,0]=4 2945 B13R1.3088 COC(=O)c1ccc(c(c1)N)OC 34a_100000724433_200000210301 [2,1,0,0,0,0|1,0,0]=4 2946 B13R1.3088 COC(=O)c1ccc(c(c1)N)OC 7a_100000724433_200000210301 [2,1,0,0,0,0|1,0,0]=4 2947 B13R1.3088 COC(=O)c1ccc(c(c1)N)O[13CH3] 34a_100000724433_200025704644 [2,1,0,0,0,0|1,0,0]=4 2948 B13R1.3088 COC(=O)c1ccc(c(c1)N)O[13CH3] 7a_100000724433_200025704644 [2,1,0,0,0,0|1,0,0]=4 2949 B13R1.3088 COC(=O)c1ccc(c(c1)O)C#N 271570a_203496583355_100009861381 [2,1,0,0,0,0|1,0,0]=4 2950 B13R1.3088 COC(=O)c1ccc(c(c1)O)C=O 271570a_203496583355_100012179231 [2,1,0,0,0,0|0,0,1]=4 2951 B13R1.3088 COC(=O)c1ccc(c(c1)O)CO 271570a_203496583355_100012355398 [2,1,0,0,0,0|0,0,0]=3 2952 B13R1.3088 COC(=O)c1ccc(c(c1)O)OC 271570a_203496583355_100000189012 [2,1,0,0,0,0|0,0,0]=3 2953 B13R1.3088 COC(=O)c1ccc(c(c1)O)SC 62a_100012350776_200000210301 [2,1,0,0,0,0|0,1,0]=4 2954 B13R1.3088 COC(=O)c1ccc(c(c1)O)SC 62a_200000210301_100012350776 [2,1,0,0,0,0|0,1,0]=4 2955 B13R1.3088 COC(=O)c1ccc(c(c1)O)S[13CH3] 62a_100012350776_200025704644 [2,1,0,0,0,0|0,1,0]=4 2956 B13R1.3088 COC(=O)c1ccc(c(c1)O)S[13CH3] 62a_200025704644_100012350776 [2,1,0,0,0,0|0,1,0]=4 2957 B13R1.3088 COC(=O)c1ccc(c(n1)O)OC 271570a_203496583355_100010205418 [2,1,0,0,0,0|1,0,0]=4 2958 B13R1.3088 COC(=O)c1cnc(c(c1)O)OC 271570a_203496583355_100010189640 [2,1,0,0,0,0|1,0,0]=4 2959 B13R1.3088 COc1ccc(cc1O)C(=O)CF 1458a_100000766810_100015361967 [2,1,0,0,0,0|1,0,0]=4 2960 B13R1.298 COc1cc(cc(c1O)Cl)C(=O)C 1458a_100000209947_200000210301 [2,1,0,0,0,0|1,0,0]=4 2961 B13R1.298 COc1cc(cc(c1O)Cl)C(=O)[13CH3] 1458a_100000209947_200025704644 [2,1,0,0,0,0|1,0,0]=4 2962 B13R1.298 COc1cc(cc(c1O)O)C(=O)C 1458a_100000061230_200000210301 [2,1,0,0,0,0|0,0,0]=3 2963 B13R1.298 COc1cc(cc(c1O)O)C(=O)[13CH3] 1458a_100000061230_200025704644 [2,1,0,0,0,0|0,0,0]=3 2964 B13R1.3380 COc1c(cc(cc1Br)C(=O)C)O 1458a_100010760816_200000210301 [2,1,0,0,0,0|1,0,0]=4 2965 B13R1.3380 COc1c(cc(cc1Br)C(=O)[13CH3])O 1458a_100010760816_200025704644 [2,1,0,0,0,0|1,0,0]=4 2966 B13R1.3380 COc1c(cc(cc1O)C(=O)C)O 1458a_100000073573_200000210301 [2,1,0,0,0,0|0,0,0]=3 2967 B13R1.3380 COc1c(cc(cc1O)C(=O)[13CH3])O 1458a_100000073573_200025704644 [2,1,0,0,0,0|0,0,0]=3 2968 B15R1.1258 CCCC(=O)Nc1cc(cc(c1)CO)O 22a_200000124675_100000211992 [1,1,0,0,0,1|1,0,0]=4 2969 B15R1.1258 CCCC(=O)Nc1cc(cc(c1)CO)O 527a_200000124675_100000211992 [1,1,0,0,0,1|1,0,0]=4 2970 B15R1.1258 CCCC(=O)Nc1cc(cc(c1)OC)O 1626a_200000692186_100000211992 [1,1,0,0,0,1|1,0,0]=4 2971 B15R1.1258 CCCC(=O)Nc1cc(cc(c1)OC)O 22a_200000692186_100000211992 [1,1,0,0,0,1|1,0,0]=4 2972 B15R1.1258 CCCC(=O)Nc1cc(cc(c1)OC)O 527a_200000692186_100000211992 [1,1,0,0,0,1|1,0,0]=4 2973 B15R1.1258 CCNC(=O)Nc1cc(cc(c1)CO)O 2430a_200000124675_100015525214 [1,1,0,0,0,1|1,0,0]=4 2974 B15R1.1258 CCNC(=O)Nc1cc(cc(c1)CO)O 512a_200000124675_100015525214 [1,1,0,0,0,1|1,0,0]=4 2975 B15R1.1258 CCNC(=O)Nc1cc(cc(c1)OC)O 2430a_200000692186_100015525214 [1,1,0,0,0,1|1,0,0]=4 2976 B15R1.1258 CCNC(=O)Nc1cc(cc(c1)OC)O 512a_200000692186_100015525214 [1,1,0,0,0,1|1,0,0]=4 2977 B15R1.3898 CCCCC(=O)Nc1cc(cc(c1)O)O 527a_100000043371_100000210183 [1,1,0,0,0,1|1,0,0]=4 2978 B15R1.3898 CCCNC(=O)Cc1cc(cc(c1)O)O 240690a_100020643023_100000080560 [1,1,0,0,0,1|1,0,0]=4 2979 B15R1.3898 CCCNC(=O)Cc1cc(cc(c1)O)O 527a_100020643023_100000080560 [1,1,0,0,0,1|1,0,0]=4 2980 B15R1.3898 CCCNC(=O)Nc1cc(cc(c1)O)O 2430a_100000043371_100020643023 [1,1,0,0,0,1|1,0,0]=4 2981 B15R1.3898 CCCNC(=O)Nc1cc(cc(c1)O)O 512a_100000043371_100020643023 [1,1,0,0,0,1|1,0,0]=4 2982 B15R1.3898 CCNNC(=O)Cc1cc(cc(c1)O)O 22a_100000756455_100000080560 [1,1,0,0,0,1|1,0,0]=4 2983 B15R1.3898 CCNNC(=O)Nc1cc(cc(c1)O)O 512a_100000043371_100000756455 [1,1,0,0,0,1|1,0,0]=4 2984 B15R1.3898 CCOCC(=O)Nc1cc(cc(c1)Cl)O 1626a_100000123917_100000211967 [1,1,0,0,0,1|1,0,0]=4 2985 B15R1.3898 CCOCC(=O)Nc1cc(cc(c1)Cl)O 22a_100000123917_100000211967 [1,1,0,0,0,1|1,0,0]=4 2986 B15R1.3898 CCOCC(=O)Nc1cc(cc(c1)O)C 1626a_100011995906_100000211967 [1,1,0,0,0,1|1,0,0]=4 2987 B15R1.3898 CCOCC(=O)Nc1cc(cc(c1)O)C 22a_100011995906_100000211967 [1,1,0,0,0,1|1,0,0]=4 2988 B15R1.3898 CCOCC(=O)Nc1cc(cc(c1)O)C 527a_100011995906_100000211967 [1,1,0,0,0,1|1,0,0]=4 2989 B15R1.3898 CCOCC(=O)Nc1cc(cc(c1)O)O 527a_100000043371_100000211967 [1,1,0,0,0,1|0,0,0]=3 2990 B15R1.3898 CCSCC(=O)Nc1cc(cc(c1)O)O 527a_100000043371_100000230394 [1,1,0,0,0,1|0,1,0]=4 2991 B15R1.3898 COCCC(=O)Nc1cc(cc(c1)O)O 527a_100000043371_100000749529 [1,1,0,0,0,1|1,0,0]=4 2992 B15R1.3898 CSCCC(=O)Nc1cc(cc(c1)O)O 527a_100000043371_100000174002 [1,1,0,0,0,1|1,0,0]=4 2993 B15R1.3898 O=C(Cc1cc(cc(c1)O)O)NCCF 240690a_100000724931_100000080560 [1,1,0,0,0,1|1,0,0]=4 2994 B15R1.3898 O=C(Cc1cc(cc(c1)O)O)NCCF 527a_100000724931_100000080560 [1,1,0,0,0,1|1,0,0]=4 2995 B15R1.3898 O=C(Cc1cc(cc(c1)O)O)NCCO 240690a_100000210304_100000080560 [1,1,0,0,0,1|1,0,0]=4 2996 B15R1.3898 O=C(Cc1cc(cc(c1)O)O)NCCO 527a_100000210304_100000080560 [1,1,0,0,0,1|1,0,0]=4 2997 B15R1.3898 O=C(NCCF)Nc1cc(cc(c1)O)O 2430a_100000043371_100000724931 [1,1,0,0,0,1|1,0,0]=4 2998 B15R1.3898 O=C(NCCF)Nc1cc(cc(c1)O)O 512a_100000043371_100000724931 [1,1,0,0,0,1|1,0,0]=4 2999 B15R1.3898 O=C(NCCO)Nc1cc(cc(c1)O)O 2430a_100000043371_100000210304 [1,1,0,0,0,1|1,0,0]=4 3000 B15R1.3898 O=C(NCCO)Nc1cc(cc(c1)O)O 512a_100000043371_100000210304 [1,1,0,0,0,1|1,0,0]=4 3001 B15R1.5446 CC(C)CC(=O)Nc1cc(cc(c1)O)O 527a_100000043371_100000210554 [1,1,0,0,0,1|1,0,0]=4 3002 B15R1.5446 CC(C)NC(=O)Cc1cc(cc(c1)O)O 240690a_100138425928_100000080560 [1,1,0,0,0,1|1,0,0]=4 3003 B15R1.5446 CC(C)NC(=O)Cc1cc(cc(c1)O)O 527a_100138425928_100000080560 [1,1,0,0,0,1|1,0,0]=4 3004 B15R1.5446 CC(C)NC(=O)Nc1cc(cc(c1)O)O 2430a_100000043371_100138425928 [1,1,0,0,0,1|1,0,0]=4 3005 B15R1.5446 CC(C)NC(=O)Nc1cc(cc(c1)O)O 512a_100000043371_100138425928 [1,1,0,0,0,1|1,0,0]=4 3006 B15R1.5515 CCC(C)C(=O)Nc1cc(cc(c1)O)O 527a_100000043371_100011192722 [1,1,0,0,0,1|1,0,0]=4 3007 B15R1.5515 CCN(C)C(=O)Cc1cc(cc(c1)O)O 240690a_100000225621_100000080560 [1,1,0,0,0,1|1,0,0]=4 3008 B15R1.5515 CCN(C)C(=O)Cc1cc(cc(c1)O)O 527a_100000225621_100000080560 [1,1,0,0,0,1|1,0,0]=4 3009 B15R1.5515 CCN(C)C(=O)Nc1cc(cc(c1)O)O 2430a_100000043371_100000225621 [1,1,0,0,0,1|1,0,0]=4 3010 B15R1.883 CC(C)CC(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_100000210624 [1,1,0,0,0,1|1,0,0]=4 3011 B15R1.883 CC(C)CC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000210554 [1,1,0,0,0,1|1,0,0]=4 3012 B15R1.883 CC(C)CC(=O)Nc1ccc(c(c1)O)O 527a_100102946323_100000210554 [1,1,0,0,0,1|1,0,0]=4 3013 B15R1.883 CC(C)NC(=O)Cc1ccc(c(c1)O)O 527a_100138425928_100000031429 [1,1,0,0,0,1|1,0,0]=4 3014 B15R1.883 CC(C)NC(=O)Nc1ccc(c(c1)O)O 2430a_100102946323_100138425928 [1,1,0,0,0,1|1,0,0]=4 3015 B15R1.883 CC(O)CC(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_100011218427 [1,1,0,0,0,1|1,0,0]=4 3016 B15R1.883 C[C@@H](O)CC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100011933948 [1,1,0,0,0,1|1,0,0]=4 3017 B15R1.1277 C=Cc1cc(ccc1O)CC(=O)OCC 271570a_100011290941_100010222481 [1,1,0,0,0,1|1,0,0]=4 3018 B15R1.1277 CCCC(=O)Cc1ccc(c(c1)OC)O 1458a_100000032101_100000210303 [1,1,0,0,0,1|1,0,0]=4 3019 B15R1.1277 CCCC(=O)Nc1ccc(c(c1)OC)O 22a_100000726020_100000211992 [1,1,0,0,0,1|1,0,0]=4 3020 B15R1.1277 CCCC(=O)Nc1ccc(c(c1)OC)O 527a_100000726020_100000211992 [1,1,0,0,0,1|1,0,0]=4 3021 B15R1.1277 CCNC(=O)Cc1ccc(c(c1)OC)O 240690a_100015525214_100000032101 [1,1,0,0,0,1|1,0,0]=4 3022 B15R1.1277 CCNC(=O)Cc1ccc(c(c1)OC)O 527a_100015525214_100000032101 [1,1,0,0,0,1|1,0,0]=4 3023 B15R1.1277 CCNC(=O)Nc1ccc(c(c1)OC)O 2430a_100000726020_100015525214 [1,1,0,0,0,1|1,0,0]=4 3024 B15R1.1277 CCOC(=O)Cc1ccc(c(c1)SC)O 62a_100010222481_200000210301 [1,1,0,0,0,1|0,1,0]=4 3025 B15R1.1277 CCOC(=O)Cc1ccc(c(c1)SC)O 62a_200000210301_100010222481 [1,1,0,0,0,1|0,1,0]=4 3026 B15R1.1277 CCOC(=O)Cc1ccc(c(c1)S[13CH3])O 62a_100010222481_200025704644 [1,1,0,0,0,1|0,1,0]=4 3027 B15R1.1277 CCOC(=O)Cc1ccc(c(c1)S[13CH3])O 62a_200025704644_100010222481 [1,1,0,0,0,1|0,1,0]=4 3028 B15R1.1279 CCCC(=O)Cc1ccc(c(c1)O)OC 1458a_100000049095_100000210303 [1,1,0,0,0,1|1,0,0]=4 3029 B15R1.1279 CCCC(=O)Nc1ccc(c(c1)O)OC 22a_100000211920_100000211992 [1,1,0,0,0,1|1,0,0]=4 3030 B15R1.1279 CCCC(=O)Nc1ccc(c(c1)O)OC 527a_100000211920_100000211992 [1,1,0,0,0,1|1,0,0]=4 3031 B15R1.1279 CCNC(=O)Cc1ccc(c(c1)O)OC 240690a_100015525214_100000049095 [1,1,0,0,0,1|1,0,0]=4 3032 B15R1.1279 CCNC(=O)Cc1ccc(c(c1)O)OC 527a_100015525214_100000049095 [1,1,0,0,0,1|1,0,0]=4 3033 B15R1.1279 CCNC(=O)Nc1ccc(c(c1)O)OC 2430a_100000211920_100015525214 [1,1,0,0,0,1|1,0,0]=4 3034 B15R1.1279 CCOC(=O)Cc1ccc(c(c1)Br)OC 7a_100010222481_200000210301 [1,1,0,0,0,1|1,0,0]=4 3035 B15R1.1279 CCOC(=O)Cc1ccc(c(c1)Br)O[13CH3] 7a_100010222481_200025704644 [1,1,0,0,0,1|1,0,0]=4 3036 B15R1.1279 CCOC(=O)Cc1ccc(c(c1)O)OC 271570a_203496583355_200012357788 [1,1,0,0,0,1|0,0,0]=3 3037 B15R1.3908 CCC#CC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100011827653 [1,1,0,0,0,1|1,0,0]=4 3038 B15R1.3908 CCC=CC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000212282 [1,1,0,0,0,1|1,0,0]=4 3039 B15R1.3908 CCCCC(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_100000210211 [1,1,0,0,0,1|1,0,0]=4 3040 B15R1.3908 CCCCC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000210183 [1,1,0,0,0,1|1,0,0]=4 3041 B15R1.3908 CCCCC(=O)Nc1ccc(c(c1)O)O 527a_100102946323_100000210183 [1,1,0,0,0,1|1,0,0]=4 3042 B15R1.3908 CCCNC(=O)Cc1ccc(c(c1)O)O 527a_100020643023_100000031429 [1,1,0,0,0,1|1,0,0]=4 3043 B15R1.3908 CCCNC(=O)Nc1ccc(c(c1)O)O 2430a_100102946323_100020643023 [1,1,0,0,0,1|1,0,0]=4 3044 B15R1.3908 CCNNC(=O)Cc1ccc(c(c1)O)O 22a_100000756455_100000031429 [1,1,0,0,0,1|1,0,0]=4 3045 B15R1.3908 CCOCC(=O)Nc1ccc(c(c1)Br)O 22a_100011534360_100000211967 [1,1,0,0,0,1|1,0,0]=4 3046 B15R1.3908 CCOCC(=O)Nc1ccc(c(c1)Br)O 527a_100011534360_100000211967 [1,1,0,0,0,1|1,0,0]=4 3047 B15R1.3908 CCOCC(=O)Nc1ccc(c(c1)C)O 11a_100011218179_100000211967 [1,1,0,0,0,1|1,0,0]=4 3048 B15R1.3908 CCOCC(=O)Nc1ccc(c(c1)C)O 22a_100011218179_100000211967 [1,1,0,0,0,1|1,0,0]=4 3049 B15R1.3908 CCOCC(=O)Nc1ccc(c(c1)C)O 527a_100011218179_100000211967 [1,1,0,0,0,1|1,0,0]=4 3050 B15R1.3908 CCOCC(=O)Nc1ccc(c(c1)Cl)O 22a_100000744943_100000211967 [1,1,0,0,0,1|1,0,0]=4 3051 B15R1.3908 CCOCC(=O)Nc1ccc(c(c1)F)O 22a_100011220035_100000211967 [1,1,0,0,0,1|1,0,0]=4 3052 B15R1.3908 CCOCC(=O)Nc1ccc(c(c1)F)O 527a_100011220035_100000211967 [1,1,0,0,0,1|1,0,0]=4 3053 B15R1.3908 CCOCC(=O)Nc1ccc(c(c1)O)C 11a_100000759471_100000211967 [1,1,0,0,0,1|1,0,0]=4 3054 B15R1.3908 CCOCC(=O)Nc1ccc(c(c1)O)C 22a_100000759471_100000211967 [1,1,0,0,0,1|1,0,0]=4 3055 B15R1.3908 CCOCC(=O)Nc1ccc(c(c1)O)C 527a_100000759471_100000211967 [1,1,0,0,0,1|1,0,0]=4 3056 B15R1.3908 CCOCC(=O)Nc1ccc(c(c1)O)Cl 22a_100011934209_100000211967 [1,1,0,0,0,1|1,0,0]=4 3057 B15R1.3908 CCOCC(=O)Nc1ccc(c(c1)O)F 22a_100012017398_100000211967 [1,1,0,0,0,1|1,0,0]=4 3058 B15R1.3908 CCOCC(=O)Nc1ccc(c(c1)O)F 527a_100012017398_100000211967 [1,1,0,0,0,1|1,0,0]=4 3059 B15R1.3908 CCOCC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000211967 [1,1,0,0,0,1|0,0,0]=3 3060 B15R1.3908 CCOCC(=O)Nc1ccc(c(c1)O)O 527a_100102946323_100000211967 [1,1,0,0,0,1|0,0,0]=3 3061 B15R1.3908 CCSCC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000230394 [1,1,0,0,0,1|0,1,0]=4 3062 B15R1.3908 CCSCC(=O)Nc1ccc(c(c1)O)O 527a_100102946323_100000230394 [1,1,0,0,0,1|0,1,0]=4 3063 B15R1.3908 COCCC(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_100000233755 [1,1,0,0,0,1|1,0,0]=4 3064 B15R1.3908 COCCC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000749529 [1,1,0,0,0,1|1,0,0]=4 3065 B15R1.3908 COCCC(=O)Nc1ccc(c(c1)O)O 527a_100102946323_100000749529 [1,1,0,0,0,1|1,0,0]=4 3066 B15R1.3908 CSCCC(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_100000751147 [1,1,0,0,0,1|1,0,0]=4 3067 B15R1.3908 CSCCC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000174002 [1,1,0,0,0,1|1,0,0]=4 3068 B15R1.3908 CSCCC(=O)Nc1ccc(c(c1)O)O 527a_100102946323_100000174002 [1,1,0,0,0,1|1,0,0]=4 3069 B15R1.3908 O=C(CCCF)Cc1ccc(c(c1)O)O 1458a_100000031429_100011934791 [1,1,0,0,0,1|1,0,0]=4 3070 B15R1.3908 O=C(CCCO)Cc1ccc(c(c1)O)O 1458a_100000031429_100011215043 [1,1,0,0,0,1|1,0,0]=4 3071 B15R1.3908 O=C(Cc1ccc(c(c1)O)O)NCCF 527a_100000724931_100000031429 [1,1,0,0,0,1|1,0,0]=4 3072 B15R1.3908 O=C(Cc1ccc(c(c1)O)O)NCCO 527a_100000210304_100000031429 [1,1,0,0,0,1|1,0,0]=4 3073 B15R1.3908 O=C(NCCF)Nc1ccc(c(c1)O)O 2430a_100102946323_100000724931 [1,1,0,0,0,1|1,0,0]=4 3074 B15R1.3908 O=C(NCCO)Nc1ccc(c(c1)O)O 2430a_100102946323_100000210304 [1,1,0,0,0,1|1,0,0]=4 3075 B15R1.3956 CCCC(=O)C(O)c1ccc(c(c1)O)O 1458a_200000032065_100000210303 [1,1,0,0,0,1|1,0,0]=4 3076 B15R1.3956 CCNC(=O)C(O)c1ccc(c(c1)O)O 240690a_100015525214_200000032065 [1,1,0,0,0,1|1,0,0]=4 3077 B15R1.5521 CCC(C)C(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_100000758301 [1,1,0,0,0,1|1,0,0]=4 3078 B15R1.5521 CCC(C)C(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100011192722 [1,1,0,0,0,1|1,0,0]=4 3079 B15R1.5521 CCC(C)C(=O)Nc1ccc(c(c1)O)O 527a_100102946323_100011192722 [1,1,0,0,0,1|1,0,0]=4 3080 B15R1.5521 CCC(O)C(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100011196387 [1,1,0,0,0,1|1,0,0]=4 3081 B15R1.5521 CCN(C)C(=O)Cc1ccc(c(c1)O)O 527a_100000225621_100000031429 [1,1,0,0,0,1|1,0,0]=4 3082 B15R1.5521 CCN(C)C(=O)Nc1ccc(c(c1)O)O 2430a_100102946323_100000225621 [1,1,0,0,0,1|1,0,0]=4 3083 B15R1.552 CC/C=C\CSc1cc(c(c(c1)O)O)O 62a_100103147603_100010658518 [1,2,0,0,0,0|1,0,0]=4 3084 B15R1.552 CCCNN=Cc1cc(c(c(c1)O)O)O 4a_100000740057_100000042491 [1,2,0,0,0,0|1,0,0]=4 3085 B15R1.552 CCOCCSc1cc(c(c(c1)O)O)O 62a_100000210147_100010658518 [1,2,0,0,0,0|0,0,1]=4 3086 B15R1.552 OCCNN=Cc1cc(c(c(c1)O)O)O 4a_100000210001_100000042491 [1,2,0,0,0,0|1,0,0]=4 3087 B15R1.4141 CCNN=Cc1cc(c(c(c1)OC)O)O 4a_100000756455_100000010769 [1,2,0,0,0,0|1,0,0]=4 3088 B15R1.4141 CCOC=Cc1cc(c(c(c1)OC)F)O 271570a_100016256518_200015524394 [1,2,0,0,0,0|1,0,0]=4 3089 B15R1.4141 CCOCSc1cc(c(c(c1)OC)O)O 62a_100000739092_200159242197 [1,2,0,0,0,0|0,0,1]=4 3090 B15R1.28956 CC(C)NN=Cc1cc(c(c(c1)O)O)O 4a_100000741168_100000042491 [1,2,0,0,0,0|1,0,0]=4 3091 B15R1.28956 CC(C)OCSc1cc(c(c(c1)O)O)O 62a_100000709892_100010658518 [1,2,0,0,0,0|0,0,1]=4 3092 B15R1.381 COc1cc(cc(c1)C(=O)CC(C)C)O 1458a_100000083963_100000210624 [1,2,0,0,0,0|1,0,0]=4 3093 B15R1.381 COc1cc(cc(c1)C(=O)CC(C)O)O 1458a_100000083963_100011218427 [1,2,0,0,0,0|1,0,0]=4 3094 B15R1.381 COc1cc(cc(c1)C(=O)NC(C)C)O 240690a_100138425928_100000083963 [1,2,0,0,0,0|1,0,0]=4 3095 B15R1.381 COc1cc(cc(c1)C(=O)NC(C)C)O 527a_100138425928_100000083963 [1,2,0,0,0,0|1,0,0]=4 3096 B15R1.388 CCC(C)C(=O)c1cc(cc(c1)OC)O 1458a_100000083963_100000758301 [1,2,0,0,0,0|1,0,0]=4 3097 B15R1.388 CCN(C)C(=O)c1cc(cc(c1)OC)O 240690a_100000225621_100000083963 [1,2,0,0,0,0|1,0,0]=4 3098 B15R1.388 CCN(C)C(=O)c1cc(cc(c1)OC)O 527a_100000225621_100000083963 [1,2,0,0,0,0|1,0,0]=4 3099 B15R1.771 CCCC(=O)c1cc(cc(c1)OC)OC 1458a_100000210870_100000210303 [1,2,0,0,0,0|1,0,0]=4 3100 B15R1.771 CCNC(=O)c1cc(cc(c1)OC)OC 11a_100015525214_100000210870 [1,2,0,0,0,0|1,0,0]=4 3101 B15R1.771 CCNC(=O)c1cc(cc(c1)OC)OC 240690a_100015525214_100000210870 [1,2,0,0,0,0|1,0,0]=4 3102 B15R1.771 CCNC(=O)c1cc(cc(c1)OC)OC 527a_100015525214_100000210870 [1,2,0,0,0,0|1,0,0]=4 3103 B15R1.772 CCOC(=O)c1cc(cc(c1)B(O)O)O 271570a_203496583355_200010197224 [1,2,0,0,0,0|0,0,0]=3 3104 B15R1.1216 CCCCC(=O)c1cc(cc(c1)OC)O 1458a_100000083963_100000210211 [1,2,0,0,0,0|1,0,0]=4 3105 B15R1.1216 CCCNC(=O)c1cc(cc(c1)OC)O 240690a_100020643023_100000083963 [1,2,0,0,0,0|1,0,0]=4 3106 B15R1.1216 CCCNC(=O)c1cc(cc(c1)OC)O 527a_100020643023_100000083963 [1,2,0,0,0,0|1,0,0]=4 3107 B15R1.1216 CCNNC(=O)c1cc(cc(c1)OC)O 22a_100000756455_100000083963 [1,2,0,0,0,0|1,0,0]=4 3108 B15R1.1216 COCCC(=O)c1cc(cc(c1)OC)O 1458a_100000083963_100000233755 [1,2,0,0,0,0|1,0,0]=4 3109 B15R1.1216 COc1cc(cc(c1)C(=O)CCCF)O 1458a_100000083963_100011934791 [1,2,0,0,0,0|1,0,0]=4 3110 B15R1.1216 COc1cc(cc(c1)C(=O)CCCO)O 1458a_100000083963_100011215043 [1,2,0,0,0,0|1,0,0]=4 3111 B15R1.1216 COc1cc(cc(c1)C(=O)CCSC)O 1458a_100000083963_100000751147 [1,2,0,0,0,0|1,0,0]=4 3112 B15R1.1216 COc1cc(cc(c1)C(=O)NCCF)O 240690a_100000724931_100000083963 [1,2,0,0,0,0|1,0,0]=4 3113 B15R1.1216 COc1cc(cc(c1)C(=O)NCCF)O 527a_100000724931_100000083963 [1,2,0,0,0,0|1,0,0]=4 3114 B15R1.1216 COc1cc(cc(c1)C(=O)NCCO)O 240690a_100000210304_100000083963 [1,2,0,0,0,0|1,0,0]=4 3115 B15R1.1216 COc1cc(cc(c1)C(=O)NCCO)O 527a_100000210304_100000083963 [1,2,0,0,0,0|1,0,0]=4 3116 B15R1.748 C#CC(C)NC(=O)c1cc(cc(c1)O)O 240690a_100000707721_100000690292 [1,2,0,0,0,0|1,0,0]=4 3117 B15R1.748 C#CC(C)NC(=O)c1cc(cc(c1)O)O 527a_100000707721_100000690292 [1,2,0,0,0,0|1,0,0]=4 3118 B15R1.748 CC(C#N)NC(=O)c1cc(cc(c1)O)O 527a_100000737613_100000690292 [1,2,0,0,0,0|1,0,0]=4 3119 B15R1.748 CCC(C)NC(=O)c1cc(cc(c1)O)O 240690a_100000209981_100000690292 [1,2,0,0,0,0|1,0,0]=4 3120 B15R1.748 CCC(C)NC(=O)c1cc(cc(c1)O)O 527a_100000209981_100000690292 [1,2,0,0,0,0|1,0,0]=4 3121 B15R1.748 CCN(C)CC(=O)c1cc(cc(c1)O)O 2230a_100000225621_100010006762 [1,2,0,0,0,0|1,0,0]=4 3122 B15R1.748 CCN(C)CC(=O)c1cc(cc(c1)O)O 269982a_100000225621_100010006762 [1,2,0,0,0,0|1,0,0]=4 3123 B15R1.748 C[C@H](CF)NC(=O)c1cc(cc(c1)O)O 240690a_100102880703_100000690292 [1,2,0,0,0,0|1,0,0]=4 3124 B15R1.748 C[C@H](CF)NC(=O)c1cc(cc(c1)O)O 527a_100102880703_100000690292 [1,2,0,0,0,0|1,0,0]=4 3125 B15R1.748 C[C@H](CO)NC(=O)c1cc(cc(c1)O)O 240690a_100000737577_100000690292 [1,2,0,0,0,0|1,0,0]=4 3126 B15R1.748 C[C@H](CO)NC(=O)c1cc(cc(c1)O)O 527a_100000737577_100000690292 [1,2,0,0,0,0|1,0,0]=4 3127 B15R1.1386 C#CCCNC(=O)c1cc(cc(c1)O)O 240690a_100000755551_100000690292 [1,2,0,0,0,0|1,0,0]=4 3128 B15R1.1386 C#CCCNC(=O)c1cc(cc(c1)O)O 527a_100000755551_100000690292 [1,2,0,0,0,0|1,0,0]=4 3129 B15R1.1386 C#CCOCC(=O)c1cc(cc(c1)O)O 34a_100000210247_100010006762 [1,2,0,0,0,0|0,0,1]=4 3130 B15R1.1386 C=CCCNC(=O)c1cc(cc(c1)O)O 240690a_100015191253_100000690292 [1,2,0,0,0,0|1,0,0]=4 3131 B15R1.1386 C=CCCNC(=O)c1cc(cc(c1)O)O 527a_100015191253_100000690292 [1,2,0,0,0,0|1,0,0]=4 3132 B15R1.1386 C=CCOCC(=O)c1cc(cc(c1)O)O 34a_200000210373_100010006762 [1,2,0,0,0,0|0,0,1]=4 3133 B15R1.1386 CC#CCNC(=O)c1cc(cc(c1)O)O 527a_100000685387_100000690292 [1,2,0,0,0,0|1,0,0]=4 3134 B15R1.1386 CCCCNC(=O)c1cc(cc(c1)O)O 240690a_100000102301_100000690292 [1,2,0,0,0,0|1,0,0]=4 3135 B15R1.1386 CCCCNC(=O)c1cc(cc(c1)O)O 527a_100000102301_100000690292 [1,2,0,0,0,0|1,0,0]=4 3136 B15R1.1386 CCCNNC(=O)c1cc(cc(c1)O)O 22a_100000740057_100000690292 [1,2,0,0,0,0|1,0,0]=4 3137 B15R1.1386 CCCOCC(=O)c1cc(cc(c1)O)O 34a_100000210258_100010006762 [1,2,0,0,0,0|0,0,0]=3 3138 B15R1.1386 CCCSCC(=O)c1cc(cc(c1)O)O 62a_100000210303_100010006762 [1,2,0,0,0,0|0,1,0]=4 3139 B15R1.1386 CCCSCC(=O)c1cc(cc(c1)O)O 62a_100010006762_100000210303 [1,2,0,0,0,0|0,1,0]=4 3140 B15R1.1386 CCOCCC(=O)c1cc(cc(c1)Br)O 1458a_100011934545_100011215890 [1,2,0,0,0,0|1,0,0]=4 3141 B15R1.1386 CCOCCC(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_100011215890 [1,2,0,0,0,0|1,0,0]=4 3142 B15R1.1386 CCOCCC(=O)c1cc(cc(c1)F)O 1458a_100012017291_100011215890 [1,2,0,0,0,0|1,0,0]=4 3143 B15R1.1386 CCOCCC(=O)c1cc(cc(c1)O)C 1458a_100000094094_100011215890 [1,2,0,0,0,0|1,0,0]=4 3144 B15R1.1386 COCCNC(=O)c1cc(cc(c1)O)O 240690a_100000209980_100000690292 [1,2,0,0,0,0|1,0,0]=4 3145 B15R1.1386 COCCNC(=O)c1cc(cc(c1)O)O 527a_100000209980_100000690292 [1,2,0,0,0,0|1,0,0]=4 3146 B15R1.1386 COCSCC(=O)c1cc(cc(c1)O)O 62a_100000766300_100010006762 [1,2,0,0,0,0|0,1,0]=4 3147 B15R1.1386 COCSCC(=O)c1cc(cc(c1)O)O 62a_100010006762_100000766300 [1,2,0,0,0,0|0,1,0]=4 3148 B15R1.1386 CSCCNC(=O)c1cc(cc(c1)O)O 240690a_100020590264_100000690292 [1,2,0,0,0,0|1,0,0]=4 3149 B15R1.1386 CSCCNC(=O)c1cc(cc(c1)O)O 527a_100020590264_100000690292 [1,2,0,0,0,0|1,0,0]=4 3150 B15R1.1386 CSCSCC(=O)c1cc(cc(c1)O)O 62a_100010006762_100011218213 [1,2,0,0,0,0|0,1,0]=4 3151 B15R1.1386 CSCSCC(=O)c1cc(cc(c1)O)O 62a_100011218213_100010006762 [1,2,0,0,0,0|0,1,0]=4 3152 B15R1.1386 N#CCCNC(=O)c1cc(cc(c1)O)O 240690a_100000720768_100000690292 [1,2,0,0,0,0|1,0,0]=4 3153 B15R1.1386 N#CCCNC(=O)c1cc(cc(c1)O)O 527a_100000720768_100000690292 [1,2,0,0,0,0|1,0,0]=4 3154 B15R1.1386 NCCOCC(=O)c1cc(cc(c1)O)O 34a_100000210304_100010006762 [1,2,0,0,0,0|0,0,0]=3 3155 B15R1.1386 O=C(CNCCF)c1cc(cc(c1)O)O 34a_100000724931_100010006762 [1,2,0,0,0,0|1,0,0]=4 3156 B15R1.1386 O=C(CNCCO)c1cc(cc(c1)O)O 2230a_100016997473_100010006762 [1,2,0,0,0,0|1,0,0]=4 3157 B15R1.1386 O=C(CNCCO)c1cc(cc(c1)O)O 34a_100016990907_100010006762 [1,2,0,0,0,0|1,0,0]=4 3158 B15R1.1386 O=C(COCCBr)c1cc(cc(c1)O)O 34a_100000211926_100010006762 [1,2,0,0,0,0|0,0,0]=3 3159 B15R1.1386 O=C(CSCCF)c1cc(cc(c1)O)O 62a_100010006762_100011217306 [1,2,0,0,0,0|0,1,0]=4 3160 B15R1.1386 O=C(CSCCF)c1cc(cc(c1)O)O 62a_100011217306_100010006762 [1,2,0,0,0,0|0,1,0]=4 3161 B15R1.1386 O=C(CSCCO)c1cc(cc(c1)O)O 62a_100000211926_100010006762 [1,2,0,0,0,0|0,1,0]=4 3162 B15R1.1386 O=C(CSCCO)c1cc(cc(c1)O)O 62a_100010006762_100000211926 [1,2,0,0,0,0|0,1,0]=4 3163 B15R1.1386 O=C(NCCCF)c1cc(cc(c1)O)O 240690a_100015189416_100000690292 [1,2,0,0,0,0|1,0,0]=4 3164 B15R1.1386 O=C(NCCCF)c1cc(cc(c1)O)O 527a_100015189416_100000690292 [1,2,0,0,0,0|1,0,0]=4 3165 B15R1.1386 O=C(NCCCO)c1cc(cc(c1)O)O 240690a_100000182051_100000690292 [1,2,0,0,0,0|1,0,0]=4 3166 B15R1.1386 O=C(NCCCO)c1cc(cc(c1)O)O 527a_100000182051_100000690292 [1,2,0,0,0,0|1,0,0]=4 3167 B15R1.1386 O=C(NNCCO)c1cc(cc(c1)O)O 22a_100000210001_100000690292 [1,2,0,0,0,0|1,0,0]=4 3168 B15R1.5450 C=C(C)CNC(=O)c1cc(cc(c1)O)O 240690a_100000765925_100000690292 [1,2,0,0,0,0|1,0,0]=4 3169 B15R1.5450 C=C(C)CNC(=O)c1cc(cc(c1)O)O 527a_100000765925_100000690292 [1,2,0,0,0,0|1,0,0]=4 3170 B15R1.5450 CC(C)CNC(=O)c1cc(cc(c1)O)O 240690a_100000210953_100000690292 [1,2,0,0,0,0|1,0,0]=4 3171 B15R1.5450 CC(C)CNC(=O)c1cc(cc(c1)O)O 527a_100000210953_100000690292 [1,2,0,0,0,0|1,0,0]=4 3172 B15R1.5450 CC(C)NCC(=O)c1cc(cc(c1)O)O 2230a_100138425928_100010006762 [1,2,0,0,0,0|1,0,0]=4 3173 B15R1.5450 CC(C)NCC(=O)c1cc(cc(c1)O)O 34a_100138425928_100010006762 [1,2,0,0,0,0|1,0,0]=4 3174 B15R1.5450 CC(C)NNC(=O)c1cc(cc(c1)O)O 22a_100000741168_100000690292 [1,2,0,0,0,0|1,0,0]=4 3175 B15R1.5450 CC(C)OCC(=O)c1cc(cc(c1)O)O 34a_100000212225_100010006762 [1,2,0,0,0,0|0,0,0]=3 3176 B15R1.5450 CC(C)SCC(=O)c1cc(cc(c1)O)O 62a_100000210206_100010006762 [1,2,0,0,0,0|0,1,0]=4 3177 B15R1.5450 CC(C)SCC(=O)c1cc(cc(c1)O)O 62a_100010006762_100000210206 [1,2,0,0,0,0|0,1,0]=4 3178 B15R1.5450 CC(O)CNC(=O)c1cc(cc(c1)O)O 240690a_100000210904_100000690292 [1,2,0,0,0,0|1,0,0]=4 3179 B15R1.5450 CC(O)CNC(=O)c1cc(cc(c1)O)O 527a_100000210904_100000690292 [1,2,0,0,0,0|1,0,0]=4 3180 B15R1.5450 O=C(NCC(F)F)c1cc(cc(c1)O)O 240690a_100000765723_100000690292 [1,2,0,0,0,0|1,0,0]=4 3181 B15R1.5450 O=C(NCC(F)F)c1cc(cc(c1)O)O 527a_100000765723_100000690292 [1,2,0,0,0,0|1,0,0]=4 3182 B15R1.4466 CCN(CC)C(=O)c1cc(cc(c1)O)O 240690a_100000724800_100000690292 [1,2,0,0,0,0|1,0,0]=4 3183 B15R1.4466 CCN(CC)C(=O)c1cc(cc(c1)O)O 527a_100000724800_100000690292 [1,2,0,0,0,0|1,0,0]=4 3184 B15R1.5458 CC(C)N(C)C(=O)c1cc(cc(c1)O)O 240690a_200000211004_100000690292 [1,2,0,0,0,0|1,0,0]=4 3185 B15R1.5458 CC(C)N(C)C(=O)c1cc(cc(c1)O)O 527a_200000211004_100000690292 [1,2,0,0,0,0|1,0,0]=4 3186 B15R1.5451 CC(C)(C)NC(=O)c1cc(cc(c1)O)O 240690a_100000715429_100000690292 [1,2,0,0,0,0|1,0,0]=4 3187 B15R1.5451 CC(C)(C)NC(=O)c1cc(cc(c1)O)O 527a_100000715429_100000690292 [1,2,0,0,0,0|1,0,0]=4 3188 B15R1.5451 CC(C)(C)OC(=O)c1cc(cc(c1)F)O 271570a_203496583355_100011942526 [1,2,0,0,0,0|1,0,0]=4 3189 B15R1.815 C=Cc1cc(ccc1OC)C(=O)OCC 271570a_100011290941_100012360133 [1,2,0,0,0,0|1,0,0]=4 3190 B15R1.815 C=Cc1ccc(cc1OC)C(=O)OCC 271570a_100011290941_100010189661 [1,2,0,0,0,0|1,0,0]=4 3191 B15R1.815 CCCC(=O)c1ccc(c(c1)OC)OC 1458a_100000211223_100000210303 [1,2,0,0,0,0|1,0,0]=4 3192 B15R1.815 CCCC(=O)c1ccc(c(c1)OC)OC 34a_200010659475_200000210301 [1,2,0,0,0,0|1,0,0]=4 3193 B15R1.815 CCCC(=O)c1ccc(c(c1)OC)OC 7a_200010659475_200000210301 [1,2,0,0,0,0|1,0,0]=4 3194 B15R1.815 CCCC(=O)c1ccc(c(c1)OC)O[13CH3] 34a_200010659475_200025704644 [1,2,0,0,0,0|1,0,0]=4 3195 B15R1.815 CCCC(=O)c1ccc(c(c1)OC)O[13CH3] 7a_200010659475_200025704644 [1,2,0,0,0,0|1,0,0]=4 3196 B15R1.815 CCNC(=O)c1ccc(c(c1)OC)OC 11a_100015525214_100000211223 [1,2,0,0,0,0|1,0,0]=4 3197 B15R1.815 CCNC(=O)c1ccc(c(c1)OC)OC 240690a_100015525214_100000211223 [1,2,0,0,0,0|1,0,0]=4 3198 B15R1.815 CCNC(=O)c1ccc(c(c1)OC)OC 527a_100015525214_100000211223 [1,2,0,0,0,0|1,0,0]=4 3199 B15R1.815 CCOC(=O)c1ccc(c(c1)OC)OC 7a_100000038551_200000210301 [1,2,0,0,0,0|0,0,0]=3 3200 B15R1.815 CCOC(=O)c1ccc(c(c1)OC)O[13CH3] 7a_100000038551_200025704644 [1,2,0,0,0,0|0,0,0]=3 3201 B15R1.815 CCOC(=O)c1ccc(c(c1)OC)SC 62a_100010189661_200000210301 [1,2,0,0,0,0|0,1,0]=4 3202 B15R1.815 CCOC(=O)c1ccc(c(c1)OC)SC 62a_200000210301_100010189661 [1,2,0,0,0,0|0,1,0]=4 3203 B15R1.815 CCOC(=O)c1ccc(c(c1)OC)S[13CH3] 62a_100010189661_200025704644 [1,2,0,0,0,0|0,1,0]=4 3204 B15R1.815 CCOC(=O)c1ccc(c(c1)OC)S[13CH3] 62a_200025704644_100010189661 [1,2,0,0,0,0|0,1,0]=4 3205 B15R1.815 CCOC(=O)c1ccc(c(c1)SC)OC 62a_100012360133_200000210301 [1,2,0,0,0,0|0,1,0]=4 3206 B15R1.815 CCOC(=O)c1ccc(c(c1)SC)OC 62a_200000210301_100012360133 [1,2,0,0,0,0|0,1,0]=4 3207 B15R1.815 CCOC(=O)c1ccc(c(c1)S[13CH3])OC 62a_100012360133_200025704644 [1,2,0,0,0,0|0,1,0]=4 3208 B15R1.815 CCOC(=O)c1ccc(c(c1)S[13CH3])OC 62a_200025704644_100012360133 [1,2,0,0,0,0|0,1,0]=4 3209 B15R1.816 C=C(C)c1cc(ccc1O)C(=O)OCC 271570a_100000694244_100009812659 [1,2,0,0,0,0|1,0,0]=4 3210 B15R1.816 CCOC(=O)c1ccc(c(c1)B(O)O)O 271570a_203496583355_200000069431 [1,2,0,0,0,0|0,0,0]=3 3211 B15R1.1243 CCCCC(=O)c1ccc(c(c1)OC)O 1458a_100000687070_100000210211 [1,2,0,0,0,0|1,0,0]=4 3212 B15R1.1243 CCCNC(=O)c1ccc(c(c1)OC)O 240690a_100020643023_100000687070 [1,2,0,0,0,0|1,0,0]=4 3213 B15R1.1243 CCCNC(=O)c1ccc(c(c1)OC)O 271570a_203496583355_200010239580 [1,2,0,0,0,0|1,0,0]=4 3214 B15R1.1243 CCNNC(=O)c1ccc(c(c1)OC)O 22a_100000756455_100000687070 [1,2,0,0,0,0|1,0,0]=4 3215 B15R1.1243 CCOCC(=O)c1ccc(c(c1)CO)O 34a_100121572206_100010262812 [1,2,0,0,0,0|0,0,0]=3 3216 B15R1.1243 CCOCC(=O)c1ccc(c(c1)OC)Br 34a_100121572206_200010710740 [1,2,0,0,0,0|1,0,0]=4 3217 B15R1.1243 CCOCC(=O)c1ccc(c(c1)OC)F 34a_100121572206_200012348595 [1,2,0,0,0,0|1,0,0]=4 3218 B15R1.1243 CCSCC(=O)c1ccc(c(c1)CO)O 62a_100000210202_100010262812 [1,2,0,0,0,0|0,1,0]=4 3219 B15R1.1243 CCSCC(=O)c1ccc(c(c1)CO)O 62a_100010262812_100000210202 [1,2,0,0,0,0|0,1,0]=4 3220 B15R1.1243 CCSCC(=O)c1ccc(c(c1)OC)O 62a_100010206313_100000210202 [1,2,0,0,0,0|0,1,0]=4 3221 B15R1.1243 COCCC(=O)c1ccc(c(c1)OC)O 1458a_100000687070_100000233755 [1,2,0,0,0,0|1,0,0]=4 3222 B15R1.1243 COc1cc(ccc1O)C(=O)CCCF 1458a_100000687070_100011934791 [1,2,0,0,0,0|1,0,0]=4 3223 B15R1.1243 COc1cc(ccc1O)C(=O)CCCO 1458a_100000687070_100011215043 [1,2,0,0,0,0|1,0,0]=4 3224 B15R1.1243 COc1cc(ccc1O)C(=O)CCSC 1458a_100000687070_100000751147 [1,2,0,0,0,0|1,0,0]=4 3225 B15R1.1243 COc1cc(ccc1O)C(=O)NCCF 240690a_100000724931_100000687070 [1,2,0,0,0,0|1,0,0]=4 3226 B15R1.1243 COc1cc(ccc1O)C(=O)NCCO 240690a_100000210304_100000687070 [1,2,0,0,0,0|1,0,0]=4 3227 B15R1.4029 CCC(C)C(=O)c1ccc(c(c1)OC)O 1458a_100000687070_100000758301 [1,2,0,0,0,0|1,0,0]=4 3228 B15R1.4029 CCN(C)C(=O)c1ccc(c(c1)OC)O 240690a_100000225621_100000687070 [1,2,0,0,0,0|1,0,0]=4 3229 B15R1.4037 COc1cc(ccc1O)C(=O)CC(C)C 1458a_100000687070_100000210624 [1,2,0,0,0,0|1,0,0]=4 3230 B15R1.4037 COc1cc(ccc1O)C(=O)CC(C)O 1458a_100000687070_100011218427 [1,2,0,0,0,0|1,0,0]=4 3231 B15R1.4037 COc1cc(ccc1O)C(=O)NC(C)C 240690a_100138425928_100000687070 [1,2,0,0,0,0|1,0,0]=4 3232 B15R1.4037 COc1cc(ccc1O)C(=O)NC(C)C 271570a_203496583355_200010239583 [1,2,0,0,0,0|1,0,0]=4 3233 B15R1.9230 C=C=Cc1cc(ccc1O)C(=O)OCC 271570a_100015277604_100009812659 [1,2,0,0,0,0|1,0,0]=4 3234 B15R1.9230 CC=Cc1cc(ccc1O)C(=O)OCC 271570a_100016259895_100009812659 [1,2,0,0,0,0|1,0,0]=4 3235 B15R1.9230 CCCC(=O)c1ccc(c(c1)OCC)O 1458a_100011260950_100000210303 [1,2,0,0,0,0|1,0,0]=4 3236 B15R1.9230 CCNC(=O)c1ccc(c(c1)OCC)O 240690a_100015525214_100011260950 [1,2,0,0,0,0|1,0,0]=4 3237 B15R1.9230 CCOC(=O)c1ccc(c(c1)COC)Br 34a_100138415774_200010218069 [1,2,0,0,0,0|1,0,0]=4 3238 B15R1.9230 CCOC(=O)c1ccc(c(c1)OCC)Br 7a_100012355281_100000210202 [1,2,0,0,0,0|1,0,0]=4 3239 B15R1.9230 CCOC(=O)c1ccc(c(c1)OCC)F 34a_200009842343_100000210202 [1,2,0,0,0,0|1,0,0]=4 3240 B15R1.9230 CCOC(=O)c1ccc(c(c1)OCC)F 7a_200009842343_100000210202 [1,2,0,0,0,0|1,0,0]=4 3241 B15R1.9230 CCOC(=O)c1ccc(c(c1)OCC)N 7a_100000756704_100000210202 [1,2,0,0,0,0|1,0,0]=4 3242 B15R1.9230 CCOC(=O)c1ccc(c(c1)OCF)Br 7a_100012355281_100015361967 [1,2,0,0,0,0|1,0,0]=4 3243 B15R1.9230 CCOC(=O)c1ccc(c(c1)OCF)F 34a_200009842343_100015361967 [1,2,0,0,0,0|1,0,0]=4 3244 B15R1.9230 CCOC(=O)c1ccc(c(c1)OCF)F 7a_200009842343_100015361967 [1,2,0,0,0,0|1,0,0]=4 3245 B15R1.9230 CCOC(=O)c1ccc(c(c1)OCF)N 7a_100000756704_100015361967 [1,2,0,0,0,0|1,0,0]=4 3246 B15R1.9230 CCOC(=O)c1ccc(c(c1)SCC)O 62a_100000210202_100009812659 [1,2,0,0,0,0|0,1,0]=4 3247 B15R1.9230 CCOC(=O)c1ccc(c(c1)SCF)O 62a_100015361967_100009812659 [1,2,0,0,0,0|0,1,0]=4 3248 B15R1.814 C=C(C)c1ccc(cc1O)C(=O)OCC 271570a_100000694244_100012355281 [1,2,0,0,0,0|1,0,0]=4 3249 B15R1.1245 CCCCC(=O)c1ccc(c(c1)O)OC 1458a_100000766810_100000210211 [1,2,0,0,0,0|1,0,0]=4 3250 B15R1.1245 CCCNC(=O)c1ccc(c(c1)O)OC 240690a_100020643023_100000766810 [1,2,0,0,0,0|1,0,0]=4 3251 B15R1.1245 CCCNC(=O)c1ccc(c(c1)O)OC 527a_100020643023_100000766810 [1,2,0,0,0,0|1,0,0]=4 3252 B15R1.1245 CCNNC(=O)c1ccc(c(c1)O)OC 22a_100000756455_100000766810 [1,2,0,0,0,0|1,0,0]=4 3253 B15R1.1245 CCOCC(=O)c1ccc(c(c1)Br)OC 34a_100121572206_100011262385 [1,2,0,0,0,0|1,0,0]=4 3254 B15R1.1245 CCOCC(=O)c1ccc(c(c1)F)OC 34a_100121572206_100000195436 [1,2,0,0,0,0|1,0,0]=4 3255 B15R1.1245 COCCC(=O)c1ccc(c(c1)O)OC 1458a_100000766810_100000233755 [1,2,0,0,0,0|1,0,0]=4 3256 B15R1.1245 COc1ccc(cc1O)C(=O)CCCF 1458a_100000766810_100011934791 [1,2,0,0,0,0|1,0,0]=4 3257 B15R1.1245 COc1ccc(cc1O)C(=O)CCCO 1458a_100000766810_100011215043 [1,2,0,0,0,0|1,0,0]=4 3258 B15R1.1245 COc1ccc(cc1O)C(=O)CCSC 1458a_100000766810_100000751147 [1,2,0,0,0,0|1,0,0]=4 3259 B15R1.1245 COc1ccc(cc1O)C(=O)NCCF 240690a_100000724931_100000766810 [1,2,0,0,0,0|1,0,0]=4 3260 B15R1.1245 COc1ccc(cc1O)C(=O)NCCF 527a_100000724931_100000766810 [1,2,0,0,0,0|1,0,0]=4 3261 B15R1.1245 COc1ccc(cc1O)C(=O)NCCO 240690a_100000210304_100000766810 [1,2,0,0,0,0|1,0,0]=4 3262 B15R1.1245 COc1ccc(cc1O)C(=O)NCCO 527a_100000210304_100000766810 [1,2,0,0,0,0|1,0,0]=4 3263 B15R1.3776 COc1ccc(cc1O)C(=O)CC(C)C 1458a_100000766810_100000210624 [1,2,0,0,0,0|1,0,0]=4 3264 B15R1.3776 COc1ccc(cc1O)C(=O)CC(C)O 1458a_100000766810_100011218427 [1,2,0,0,0,0|1,0,0]=4 3265 B15R1.3776 COc1ccc(cc1O)C(=O)NC(C)C 240690a_100138425928_100000766810 [1,2,0,0,0,0|1,0,0]=4 3266 B15R1.3776 COc1ccc(cc1O)C(=O)NC(C)C 527a_100138425928_100000766810 [1,2,0,0,0,0|1,0,0]=4 3267 B15R1.3776 COc1ccc(cc1O)C(=O)OC(C)C 271570a_203496583355_200000240844 [1,2,0,0,0,0|0,0,0]=3 3268 B15R1.3781 CCC(C)C(=O)c1ccc(c(c1)O)OC 1458a_100000766810_100000758301 [1,2,0,0,0,0|1,0,0]=4 3269 B15R1.3781 CCN(C)C(=O)c1ccc(c(c1)O)OC 240690a_100000225621_100000766810 [1,2,0,0,0,0|1,0,0]=4 3270 B15R1.3781 CCN(C)C(=O)c1ccc(c(c1)O)OC 527a_100000225621_100000766810 [1,2,0,0,0,0|1,0,0]=4 3271 B15R1.5628 C=C=Cc1ccc(cc1O)C(=O)OCC 271570a_100015277604_100012355281 [1,2,0,0,0,0|1,0,0]=4 3272 B15R1.5628 CC=Cc1ccc(cc1O)C(=O)OCC 271570a_100016259895_100012355281 [1,2,0,0,0,0|1,0,0]=4 3273 B15R1.5628 CCOC(=O)c1ccc(c(c1)Br)OCC 7a_100009812659_100000210202 [1,2,0,0,0,0|1,0,0]=4 3274 B15R1.5628 CCOC(=O)c1ccc(c(c1)Br)OCF 7a_100009812659_100015361967 [1,2,0,0,0,0|1,0,0]=4 3275 B15R1.5628 CCOC(=O)c1ccc(c(c1)F)OCC 34a_200000082637_100000210202 [1,2,0,0,0,0|1,0,0]=4 3276 B15R1.5628 CCOC(=O)c1ccc(c(c1)F)OCC 7a_200000082637_100000210202 [1,2,0,0,0,0|1,0,0]=4 3277 B15R1.5628 CCOC(=O)c1ccc(c(c1)F)OCF 34a_200000082637_100015361967 [1,2,0,0,0,0|1,0,0]=4 3278 B15R1.5628 CCOC(=O)c1ccc(c(c1)F)OCF 7a_200000082637_100015361967 [1,2,0,0,0,0|1,0,0]=4 3279 B15R1.5628 CCOC(=O)c1ccc(c(c1)I)OCC 7a_200010236255_100000210202 [1,2,0,0,0,0|1,0,0]=4 3280 B15R1.5628 CCOC(=O)c1ccc(c(c1)I)OCF 7a_200010236255_100015361967 [1,2,0,0,0,0|1,0,0]=4 3281 B15R1.5628 CCOC(=O)c1ccc(c(c1)N)OCC 7a_100011450745_100000210202 [1,2,0,0,0,0|1,0,0]=4 3282 B15R1.5628 CCOC(=O)c1ccc(c(c1)N)OCF 7a_100011450745_100015361967 [1,2,0,0,0,0|1,0,0]=4 3283 B15R1.5628 CCOC(=O)c1ccc(c(c1)O)OCC 271570a_203496583355_200000243791 [1,2,0,0,0,0|0,0,0]=3 3284 B15R1.5628 CCOC(=O)c1ccc(c(c1)O)SCC 62a_100000210202_100012355281 [1,2,0,0,0,0|0,1,0]=4 3285 B15R1.5628 CCOC(=O)c1ccc(c(c1)O)SCF 62a_100015361967_100012355281 [1,2,0,0,0,0|0,1,0]=4 3286 B15R1.10559 CCCC(=O)c1ccc(c(c1O)O)OC 1458a_100000045701_100000210303 [1,2,0,0,0,0|1,0,0]=4 3287 B15R1.10613 CCCC(=O)c1cc(c(cc1Br)OC)O 1458a_100010074811_100000210303 [1,2,0,0,0,0|1,0,0]=4 3288 B15R1.10613 CCNC(=O)c1cc(c(cc1Br)OC)O 240690a_100015525214_100010074811 [1,2,0,0,0,0|1,0,0]=4 3289 B15R1.758 CCC(=O)CC(=O)c1ccc(c(c1)O)O 1458a_100000210414_100000183813 [1,2,0,0,0,0|1,0,0]=4 3290 B15R1.758 CCC(=O)CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000747405 [1,2,0,0,0,0|1,0,0]=4 3291 B15R1.758 CCC(C)CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000748023 [1,2,0,0,0,0|1,0,0]=4 3292 B15R1.758 CCC(O)CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100011218378 [1,2,0,0,0,0|1,0,0]=4 3293 B15R1.758 CCN(C)CC(=O)c1ccc(c(c1)O)O 269982a_100000225621_100000183813 [1,2,0,0,0,0|1,0,0]=4 3294 B15R1.758 CC[C@H](C)CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100009816398 [1,2,0,0,0,0|1,0,0]=4 3295 B15R1.758 C[C@@H](CO)CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000059175 [1,2,0,0,0,0|1,0,0]=4 3296 B15R1.923 CC(C)(C)OC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100011942427 [1,2,0,0,0,0|1,0,0]=4 3297 B15R1.923 CC(C)(C)OC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100012340412 [1,2,0,0,0,0|1,0,0]=4 3298 B15R1.923 Cc1cc(ccc1O)C(=O)OC(C)(C)C 271570a_203496583355_100160488944 [1,2,0,0,0,0|1,0,0]=4 3299 B15R1.8407 CC(C)CC(=O)c1ccc(c(c1Cl)O)O 1458a_100009910189_100000210624 [1,2,0,0,0,0|1,0,0]=4 3300 B15R1.8407 CC(C)CC(=O)c1ccc(c(c1O)O)O 1458a_100000037941_100000210624 [1,2,0,0,0,0|1,0,0]=4 3301 B15R1.8407 CC(C)NC(=O)c1ccc(c(c1Cl)O)O 240690a_100138425928_100009910189 [1,2,0,0,0,0|1,0,0]=4 3302 B15R1.8407 CC(O)CC(=O)c1ccc(c(c1Cl)O)O 1458a_100009910189_100011218427 [1,2,0,0,0,0|1,0,0]=4 3303 B15R1.8407 CC(O)CC(=O)c1ccc(c(c1O)O)O 1458a_100000037941_100011218427 [1,2,0,0,0,0|1,0,0]=4 3304 B15R1.889 C=C(C)CCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000730704 [1,2,0,0,0,0|1,0,0]=4 3305 B15R1.889 CC(C)CCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000210312 [1,2,0,0,0,0|1,0,0]=4 3306 B15R1.889 CC(C)SCC(=O)c1ccc(c(c1)O)O 62a_100000210206_100000183813 [1,2,0,0,0,0|0,1,0]=4 3307 B15R1.889 CC(O)CCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100012276601 [1,2,0,0,0,0|1,0,0]=4 3308 B15R1.1404 C#CCCCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000731252 [1,2,0,0,0,0|1,0,0]=4 3309 B15R1.1404 C=CCCCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000757094 [1,2,0,0,0,0|1,0,0]=4 3310 B15R1.1404 CC/C=C\CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100103147603 [1,2,0,0,0,0|1,0,0]=4 3311 B15R1.1404 CCC#CCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100009813939 [1,2,0,0,0,0|1,0,0]=4 3312 B15R1.1404 CCCCCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000210326 [1,2,0,0,0,0|1,0,0]=4 3313 B15R1.1404 CCCSCC(=O)c1ccc(c(c1)O)O 62a_100000210303_100000183813 [1,2,0,0,0,0|0,1,0]=4 3314 B15R1.1404 CCOCCC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100011215890 [1,2,0,0,0,0|1,0,0]=4 3315 B15R1.1404 CCOCCC(=O)c1ccc(c(c1)C)O 1458a_100000685612_100011215890 [1,2,0,0,0,0|1,0,0]=4 3316 B15R1.1404 CCOCCC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100011215890 [1,2,0,0,0,0|1,0,0]=4 3317 B15R1.1404 CCOCCC(=O)c1ccc(c(c1)F)O 1458a_100000185466_100011215890 [1,2,0,0,0,0|1,0,0]=4 3318 B15R1.1404 CCOCCC(=O)c1ccc(c(c1)I)O 1458a_100000037485_100011215890 [1,2,0,0,0,0|1,0,0]=4 3319 B15R1.1404 CCOCCC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_100011215890 [1,2,0,0,0,0|1,0,0]=4 3320 B15R1.1404 CCOCCC(=O)c1ccc(c(c1)O)C 1458a_100000233767_100011215890 [1,2,0,0,0,0|1,0,0]=4 3321 B15R1.1404 CCOCCC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_100011215890 [1,2,0,0,0,0|1,0,0]=4 3322 B15R1.1404 CCOCCC(=O)c1ccc(c(c1)O)F 1458a_100000035894_100011215890 [1,2,0,0,0,0|1,0,0]=4 3323 B15R1.1404 CCOCCC(=O)c1ccc(c(c1)O)I 1458a_100000239334_100011215890 [1,2,0,0,0,0|1,0,0]=4 3324 B15R1.1404 CCOCCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100011215890 [1,2,0,0,0,0|0,0,0]=3 3325 B15R1.1404 CCSCCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000757381 [1,2,0,0,0,0|0,1,0]=4 3326 B15R1.1404 COCCCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000740836 [1,2,0,0,0,0|1,0,0]=4 3327 B15R1.1404 COCSCC(=O)c1ccc(c(c1)O)O 62a_100000766300_100000183813 [1,2,0,0,0,0|0,1,0]=4 3328 B15R1.1404 CSCSCC(=O)c1ccc(c(c1)O)O 62a_100011218213_100000183813 [1,2,0,0,0,0|0,1,0]=4 3329 B15R1.1404 N#CCCCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000211468 [1,2,0,0,0,0|1,0,0]=4 3330 B15R1.1404 O=C(CCCCF)c1ccc(c(c1)O)O 1458a_100000212155_100000729493 [1,2,0,0,0,0|1,0,0]=4 3331 B15R1.1404 O=C(CCCCO)c1ccc(c(c1)O)O 1458a_100000212155_100000210776 [1,2,0,0,0,0|1,0,0]=4 3332 B15R1.1404 O=C(CSCCF)c1ccc(c(c1)O)O 62a_100011217306_100000183813 [1,2,0,0,0,0|0,1,0]=4 3333 B15R1.1404 O=C(CSCCO)c1ccc(c(c1)O)O 62a_100000211926_100000183813 [1,2,0,0,0,0|0,1,0]=4 3334 B15R1.2346 CCCCC(=O)c1ccc(c(c1Cl)O)O 1458a_100009910189_100000210211 [1,2,0,0,0,0|1,0,0]=4 3335 B15R1.2346 CCCCC(=O)c1ccc(c(c1O)O)O 1458a_100000037941_100000210211 [1,2,0,0,0,0|1,0,0]=4 3336 B15R1.2346 CCCNC(=O)c1ccc(c(c1Cl)O)O 240690a_100020643023_100009910189 [1,2,0,0,0,0|1,0,0]=4 3337 B15R1.2346 CCNNC(=O)c1ccc(c(c1Cl)O)O 22a_100000756455_100009910189 [1,2,0,0,0,0|1,0,0]=4 3338 B15R1.2346 COCCC(=O)c1ccc(c(c1Cl)O)O 1458a_100009910189_100000233755 [1,2,0,0,0,0|1,0,0]=4 3339 B15R1.2346 COCCC(=O)c1ccc(c(c1O)O)O 1458a_100000037941_100000233755 [1,2,0,0,0,0|1,0,0]=4 3340 B15R1.2346 CSCCC(=O)c1ccc(c(c1Cl)O)O 1458a_100009910189_100000751147 [1,2,0,0,0,0|1,0,0]=4 3341 B15R1.2346 CSCCC(=O)c1ccc(c(c1O)O)O 1458a_100000037941_100000751147 [1,2,0,0,0,0|1,0,0]=4 3342 B15R1.2346 O=C(CCCF)c1ccc(c(c1Cl)O)O 1458a_100009910189_100011934791 [1,2,0,0,0,0|1,0,0]=4 3343 B15R1.2346 O=C(CCCF)c1ccc(c(c1O)O)O 1458a_100000037941_100011934791 [1,2,0,0,0,0|1,0,0]=4 3344 B15R1.2346 O=C(CCCO)c1ccc(c(c1Cl)O)O 1458a_100009910189_100011215043 [1,2,0,0,0,0|1,0,0]=4 3345 B15R1.2346 O=C(CCCO)c1ccc(c(c1O)O)O 1458a_100000037941_100011215043 [1,2,0,0,0,0|1,0,0]=4 3346 B15R1.2346 O=C(NCCF)c1ccc(c(c1Cl)O)O 240690a_100000724931_100009910189 [1,2,0,0,0,0|1,0,0]=4 3347 B15R1.2346 O=C(NCCO)c1ccc(c(c1Cl)O)O 240690a_100000210304_100009910189 [1,2,0,0,0,0|1,0,0]=4 3348 B15R1.2904 CCC(C)C(=O)c1ccc(c(c1Cl)O)O 1458a_100009910189_100000758301 [1,2,0,0,0,0|1,0,0]=4 3349 B15R1.2904 CCC(C)C(=O)c1ccc(c(c1O)O)O 1458a_100000037941_100000758301 [1,2,0,0,0,0|1,0,0]=4 3350 B15R1.2904 CCN(C)C(=O)c1ccc(c(c1Cl)O)O 240690a_100000225621_100009910189 [1,2,0,0,0,0|1,0,0]=4 3351 B15R1.4475 CCC(CC)C(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000210505 [1,2,0,0,0,0|1,0,0]=4 3352 B15R1.374 CCC(=O)c1cc(c(c(c1)OC)OC)Cl 1458a_100000180162_100000210202 [1,2,0,0,0,0|1,0,0]=4 3353 B15R1.374 CCC(=O)c1cc(c(c(c1)OC)OC)O 1458a_100000032013_100000210202 [1,2,0,0,0,0|0,0,0]=3 3354 B15R1.374 CNC(=O)c1cc(c(c(c1)OC)OC)O 240690a_100102657272_100000032013 [1,2,0,0,0,0|1,0,0]=4 3355 B15R1.374 CNC(=O)c1cc(c(c(c1)OC)OC)O 527a_100102657272_100000032013 [1,2,0,0,0,0|1,0,0]=4 3356 B15R1.374 COC(=O)c1cc(c(c(c1)OC)OC)Br 34a_200009811556_200000210301 [1,2,0,0,0,0|1,0,0]=4 3357 B15R1.374 COC(=O)c1cc(c(c(c1)OC)OC)Br 7a_200009811556_200000210301 [1,2,0,0,0,0|1,0,0]=4 3358 B15R1.374 COC(=O)c1cc(c(c(c1)OC)OC)F 34a_200010080224_200000210301 [1,2,0,0,0,0|1,0,0]=4 3359 B15R1.374 COC(=O)c1cc(c(c(c1)OC)OC)F 7a_200010080224_200000210301 [1,2,0,0,0,0|1,0,0]=4 3360 B15R1.374 COC(=O)c1cc(c(c(c1)OC)OC)O 271570a_203496583355_100000727075 [1,2,0,0,0,0|0,0,0]=3 3361 B15R1.374 COC(=O)c1cc(c(c(c1)OC)O[13CH3])Br 34a_200009811556_200025704644 [1,2,0,0,0,0|1,0,0]=4 3362 B15R1.374 COC(=O)c1cc(c(c(c1)OC)O[13CH3])Br 7a_200009811556_200025704644 [1,2,0,0,0,0|1,0,0]=4 3363 B15R1.374 COC(=O)c1cc(c(c(c1)O[13CH3])OC)F 34a_200010080224_200025704644 [1,2,0,0,0,0|1,0,0]=4 3364 B15R1.374 COC(=O)c1cc(c(c(c1)O[13CH3])OC)F 7a_200010080224_200025704644 [1,2,0,0,0,0|1,0,0]=4 3365 B15R1.374 COc1cc(cc(c1OC)O)C(=O)CF 1458a_100000032013_100015361967 [1,2,0,0,0,0|1,0,0]=4 3366 B15R1.383 C=Cc1cc(cc(c1O)OC)C(=O)OC 271570a_100011290941_200009811556 [1,2,0,0,0,0|1,0,0]=4 3367 B15R1.383 CCC(=O)c1cc(c(c(c1)OC)Br)OC 1458a_100000212323_100000210202 [1,2,0,0,0,0|1,0,0]=4 3368 B15R1.383 CCC(=O)c1cc(c(c(c1)OC)C)OC 1458a_100000211643_100000210202 [1,2,0,0,0,0|1,0,0]=4 3369 B15R1.383 CCC(=O)c1cc(c(c(c1)OC)O)OC 1458a_100000692901_100000210202 [1,2,0,0,0,0|0,0,0]=3 3370 B15R1.383 CNC(=O)c1cc(c(c(c1)OC)O)OC 240690a_100102657272_100000692901 [1,2,0,0,0,0|1,0,0]=4 3371 B15R1.383 CNC(=O)c1cc(c(c(c1)OC)O)OC 527a_100102657272_100000692901 [1,2,0,0,0,0|1,0,0]=4 3372 B15R1.383 COC(=O)c1cc(c(c(c1)OC)O)OC 271570a_203496583355_100000216665 [1,2,0,0,0,0|0,0,0]=3 3373 B15R1.383 COC(=O)c1cc(c(c(c1)SC)O)OC 62a_200000210301_200009811556 [1,2,0,0,0,0|0,1,0]=4 3374 B15R1.383 COC(=O)c1cc(c(c(c1)S[13CH3])O)OC 62a_200025704644_200009811556 [1,2,0,0,0,0|0,1,0]=4 3375 B15R1.383 COc1cc(cc(c1O)OC)C(=O)CF 1458a_100000692901_100015361967 [1,2,0,0,0,0|1,0,0]=4 3376 B15R1.391 COc1cc(cc(c1O)Cl)C(=O)C(C)C 1458a_100000209947_100000210206 [1,2,0,0,0,0|1,0,0]=4 3377 B15R1.391 COc1cc(cc(c1O)O)C(=O)C(C)C 1458a_100000061230_100000210206 [1,2,0,0,0,0|0,0,0]=3 3378 B15R1.680 CCC(=O)c1cc(c(c(c1Cl)Cl)O)OC 1458a_200000065980_100000210202 [1,2,0,0,0,0|1,0,0]=4 3379 B15R1.3628 CCOc1cc(cc(c1O)Cl)C(=O)CC 1458a_100000010658_100000210202 [1,2,0,0,0,0|1,0,0]=4 3380 B15R1.13367 CCC(=O)c1cc(c(c(c1)[N+](=O)[O-])O)O 1458a_100009843786_100000210202 [1,2,0,0,0,0|0,0,1]=4 3381 B15R1.21516 COc1c(cc(cc1Br)C(=O)C(C)C)O 1458a_100010760816_100000210206 [1,2,0,0,0,0|1,0,0]=4 3382 B15R1.21516 COc1c(cc(cc1O)C(=O)C(C)C)O 1458a_100000073573_100000210206 [1,2,0,0,0,0|0,0,0]=3 3383 B15R1.26736 C=C=Cc1c(cc(cc1O)C(=O)OC)O 271570a_100015277604_100010192586 [1,2,0,0,0,0|1,0,0]=4 3384 B15R1.26736 CC=Cc1c(cc(cc1O)C(=O)OC)O 271570a_100016259895_100010192586 [1,2,0,0,0,0|1,0,0]=4 3385 B15R1.26736 CCSc1c(cc(cc1O)C(=O)OC)O 62a_100000210202_100010192586 [1,2,0,0,0,0|0,1,0]=4 3386 B15R1.26736 COC(=O)c1cc(c(c(c1)O)SCF)O 62a_100015361967_100010192586 [1,2,0,0,0,0|0,1,0]=4 3387 B15R1.38464 C=C(C)c1c(cc(cc1O)C(=O)OC)O 271570a_100000694244_100010192586 [1,2,0,0,0,0|1,0,0]=4 3388 B15R1.25464 O=C(c1cc(c(c(c1)O)O)O)C(F)(F)F 1458a_100000212154_200000243211 [1,2,0,0,0,0|1,0,0]=4 3389 B17R1.5014 CCNC(=O)C(C)Sc1cc(c(c(c1)O)O)O 62a_100000230173_100010658518 [0,1,0,0,0,2|1,0,0]=4 3390 B17R1.5014 CCOC(=O)C(C)Sc1cc(c(c(c1)F)O)O 62a_100011216346_100010114375 [0,1,0,0,0,2|1,0,0]=4 3391 B17R1.5014 CCOC(=O)C(C)Sc1cc(c(c(c1)O)O)O 62a_100011216346_100010658518 [0,1,0,0,0,2|0,0,0]=3 3392 B17R1.5014 CCOC(=O)C(F)Sc1cc(c(c(c1)F)O)O 62a_100000760018_100010114375 [0,1,0,0,0,2|1,0,0]=4 3393 B17R1.5014 CCOC(=O)C(F)Sc1cc(c(c(c1)O)O)O 62a_100000760018_100010658518 [0,1,0,0,0,2|0,0,0]=3 3394 B17R1.8321 CCN(C)C(=O)CSc1cc(c(c(c1)O)O)O 62a_100000738999_100010658518 [0,1,0,0,0,2|1,0,0]=4 3395 B17R1.9317 C=C(CSc1cc(c(c(c1)O)O)O)OCOC 62a_100000042856_100010658518 [0,1,0,0,0,2|1,0,0]=4 3396 B17R1.9317 C=CCOC(=O)CSc1cc(c(c(c1)O)O)O 62a_100000033060_100010658518 [0,1,0,0,0,2|0,0,1]=4 3397 B17R1.9317 CCCNC(=O)CSc1cc(c(c(c1)O)O)O 62a_100000183358_100010658518 [0,1,0,0,0,2|1,0,0]=4 3398 B17R1.9317 CCCOC(=O)CSc1cc(c(c(c1)F)O)O 62a_200011215008_100010114375 [0,1,0,0,0,2|1,0,0]=4 3399 B17R1.9317 CCCOC(=O)CSc1cc(c(c(c1)O)O)O 62a_200011215008_100010658518 [0,1,0,0,0,2|0,0,0]=3 3400 B17R1.9317 CCNNC(=O)C=Cc1cc(c(c(c1)O)O)O 22a_100000756455_100016254167 [0,1,0,0,0,2|1,0,0]=4 3401 B17R1.30603 CCCC(=O)CSc1cc(c(c(c1)OC)O)O 62a_100000747444_200159242197 [0,1,0,0,0,2|1,0,0]=4 3402 B17R1.30603 CCNC(=O)CSc1cc(c(c(c1)OC)O)O 62a_100000183381_200159242197 [0,1,0,0,0,2|1,0,0]=4 3403 B17R1.30603 CCOC(=O)C=Cc1cc(c(c(c1)OC)F)O 271570a_100010199719_200015524394 [0,1,0,0,0,2|1,0,0]=4 3404 B17R1.30603 CCOC(=O)CSc1cc(c(c(c1)C=O)O)O 62a_100000188475_100010235811 [0,1,0,0,0,2|0,0,1]=4 3405 B17R1.30603 CCOC(=O)CSc1cc(c(c(c1)OC)F)O 62a_100000188475_200015524394 [0,1,0,0,0,2|1,0,0]=4 3406 B17R1.30603 CCOC(=O)CSc1cc(c(c(c1)OC)F)O 62a_200015524394_100000188475 [0,1,0,0,0,2|1,0,0]=4 3407 B17R1.30603 CCOC(=O)CSc1cc(c(c(c1)OC)O)O 62a_100000188475_200159242197 [0,1,0,0,0,2|0,0,0]=3 3408 B17R1.130989 CCCC(=O)CC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000747444 [0,1,0,0,0,2|1,0,0]=4 3409 B17R1.130989 CCNC(=O)CC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000183381 [0,1,0,0,0,2|1,0,0]=4 3410 B17R1.130989 CCOC(=O)CC(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100000188475 [0,1,0,0,0,2|1,0,0]=4 3411 B17R1.130989 CCOC(=O)CC(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100000188475 [0,1,0,0,0,2|1,0,0]=4 3412 B17R1.130989 CCOC(=O)CC(=O)c1cc(c(c(c1)O)C)O 1458a_100000031928_100000188475 [0,1,0,0,0,2|1,0,0]=4 3413 B17R1.130989 CCOC(=O)CC(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_100000188475 [0,1,0,0,0,2|1,0,0]=4 3414 B17R1.130989 CCOC(=O)CC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000188475 [0,1,0,0,0,2|0,0,0]=3 3415 B17R1.304821 CC(C)NC(=O)CSc1cc(c(c(c1)O)O)O 62a_100000183996_100010658518 [0,1,0,0,0,2|1,0,0]=4 3416 B17R1.304821 CC(C)OC(=O)CSc1cc(c(c(c1)F)O)O 62a_100011215430_100010114375 [0,1,0,0,0,2|1,0,0]=4 3417 B17R1.304821 CC(C)OC(=O)CSc1cc(c(c(c1)O)O)O 62a_100011215430_100010658518 [0,1,0,0,0,2|0,0,0]=3 3418 B17R1.21173 CCCC(=O)Cc1cc(c(c(c1)OC)O)OC 1458a_100000043605_100000210303 [0,2,0,0,0,1|1,0,0]=4 3419 B17R1.21173 CCNC(=O)Cc1cc(c(c(c1)OC)O)OC 240690a_100015525214_100000043605 [0,2,0,0,0,1|1,0,0]=4 3420 B17R1.21173 CCNC(=O)Cc1cc(c(c(c1)OC)O)OC 527a_100015525214_100000043605 [0,2,0,0,0,1|1,0,0]=4 3421 B17R1.14876 CCC(C)C(=O)c1cc(c(c(c1)OC)OC)O 1458a_100000032013_100000758301 [0,3,0,0,0,0|1,0,0]=4 3422 B17R1.14876 CCN(C)C(=O)c1cc(c(c(c1)OC)OC)O 240690a_100000225621_100000032013 [0,3,0,0,0,0|1,0,0]=4 3423 B17R1.14876 CCN(C)C(=O)c1cc(c(c(c1)OC)OC)O 527a_100000225621_100000032013 [0,3,0,0,0,0|1,0,0]=4 3424 B17R1.14918 CCC(C)C(=O)c1cc(c(c(c1)OC)O)OC 1458a_100000692901_100000758301 [0,3,0,0,0,0|1,0,0]=4 3425 B17R1.14918 CCN(C)C(=O)c1cc(c(c(c1)OC)O)OC 240690a_100000225621_100000692901 [0,3,0,0,0,0|1,0,0]=4 3426 B17R1.14918 CCN(C)C(=O)c1cc(c(c(c1)OC)O)OC 527a_100000225621_100000692901 [0,3,0,0,0,0|1,0,0]=4 3427 B17R1.14968 CCC(CC)C(=O)c1cc(c(c(c1)OC)O)O 1458a_100000061230_100000210505 [0,3,0,0,0,0|1,0,0]=4 3428 B17R1.247755 CCC(CC)C(=O)c1cc(c(c(c1)O)OC)O 1458a_100000073573_100000210505 [0,3,0,0,0,0|1,0,0]=4 3429 B17R1.453107 CCC(C)(CC)C(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100009817345 [0,3,0,0,0,0|1,0,0]=4 3430 B17R1.181652 CCC(C(=O)N)C(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000750255 [0,3,0,0,0,0|1,0,0]=4 3431 B17R1.59814 C#CCCCCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100010269958 [0,3,0,0,0,0|1,0,0]=4 3432 B17R1.59814 C#CCOCCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100010402529 [0,3,0,0,0,0|0,0,1]=4 3433 B17R1.59814 C=CCCCCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100011215482 [0,3,0,0,0,0|1,0,0]=4 3434 B17R1.59814 CC/C=C\CCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100015370543 [0,3,0,0,0,0|1,0,0]=4 3435 B17R1.59814 CCCCCCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000210757 [0,3,0,0,0,0|1,0,0]=4 3436 B17R1.59814 CCCCNNC(=O)c1cc(c(c(c1)O)O)O 22a_100025702795_100000212154 [0,3,0,0,0,0|1,0,0]=4 3437 B17R1.59814 CCCCOCC(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100011995733 [0,3,0,0,0,0|1,0,0]=4 3438 B17R1.59814 CCCCOCC(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100011995733 [0,3,0,0,0,0|1,0,0]=4 3439 B17R1.59814 CCCCOCC(=O)c1cc(c(c(c1)O)C)O 1458a_100000031928_100011995733 [0,3,0,0,0,0|1,0,0]=4 3440 B17R1.59814 CCCCOCC(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_100011995733 [0,3,0,0,0,0|1,0,0]=4 3441 B17R1.59814 CCCCOCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100011995733 [0,3,0,0,0,0|0,0,0]=3 3442 B17R1.59814 CCCOCCC(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100011215938 [0,3,0,0,0,0|1,0,0]=4 3443 B17R1.59814 CCCOCCC(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100011215938 [0,3,0,0,0,0|1,0,0]=4 3444 B17R1.59814 CCCOCCC(=O)c1cc(c(c(c1)O)C)O 1458a_100000031928_100011215938 [0,3,0,0,0,0|1,0,0]=4 3445 B17R1.59814 CCCOCCC(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_100011215938 [0,3,0,0,0,0|1,0,0]=4 3446 B17R1.59814 CCCOCCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100011215938 [0,3,0,0,0,0|0,0,0]=3 3447 B17R1.59814 CCOCCCC(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100012232248 [0,3,0,0,0,0|1,0,0]=4 3448 B17R1.59814 CCOCCCC(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100012232248 [0,3,0,0,0,0|1,0,0]=4 3449 B17R1.59814 CCOCCCC(=O)c1cc(c(c(c1)O)C)O 1458a_100000031928_100012232248 [0,3,0,0,0,0|1,0,0]=4 3450 B17R1.59814 CCOCCCC(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_100012232248 [0,3,0,0,0,0|1,0,0]=4 3451 B17R1.59814 CCOCCCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100012232248 [0,3,0,0,0,0|0,0,0]=3 3452 B17R1.59814 CCOCCNC(=O)c1cc(c(c(c1)Br)O)O 240690a_100011200944_200009992764 [0,3,0,0,0,0|1,0,0]=4 3453 B17R1.59814 CCOCCNC(=O)c1cc(c(c(c1)Cl)O)O 240690a_100011200944_200000078382 [0,3,0,0,0,0|1,0,0]=4 3454 B17R1.59814 CCOCCNC(=O)c1cc(c(c(c1)O)Br)O 240690a_100011200944_100009812877 [0,3,0,0,0,0|1,0,0]=4 3455 B17R1.59814 CCOCCNC(=O)c1cc(c(c(c1)O)C)O 240690a_100011200944_100000031928 [0,3,0,0,0,0|1,0,0]=4 3456 B17R1.59814 CCOCCNC(=O)c1cc(c(c(c1)O)C)O 527a_100011200944_100000031928 [0,3,0,0,0,0|1,0,0]=4 3457 B17R1.59814 CCOCCNC(=O)c1cc(c(c(c1)O)Cl)O 240690a_100011200944_100000074654 [0,3,0,0,0,0|1,0,0]=4 3458 B17R1.59814 COCCCCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000755781 [0,3,0,0,0,0|1,0,0]=4 3459 B17R1.59814 COCCNNC(=O)c1cc(c(c(c1)O)O)O 22a_100000741390_100000212154 [0,3,0,0,0,0|1,0,0]=4 3460 B17R1.59814 Cc1c(cc(cc1O)C(=O)CCOCCO)O 1458a_100000031928_100011215305 [0,3,0,0,0,0|1,0,0]=4 3461 B17R1.59814 N#CCCCCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000211819 [0,3,0,0,0,0|1,0,0]=4 3462 B17R1.59814 N#CCCNNC(=O)c1cc(c(c(c1)O)O)O 22a_100000229987_100000212154 [0,3,0,0,0,0|1,0,0]=4 3463 B17R1.59814 N#CCOCCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_200000047693 [0,3,0,0,0,0|0,0,1]=4 3464 B17R1.59814 O=C(CCCCCF)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000729378 [0,3,0,0,0,0|1,0,0]=4 3465 B17R1.59814 O=C(CCCCCO)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000746330 [0,3,0,0,0,0|1,0,0]=4 3466 B17R1.59814 O=C(CCOCCO)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100011215305 [0,3,0,0,0,0|1,0,0]=4 3467 B17R1.59814 O=C(CCOCCO)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100011215305 [0,3,0,0,0,0|1,0,0]=4 3468 B17R1.59814 O=C(CCOCCO)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_100011215305 [0,3,0,0,0,0|1,0,0]=4 3469 B17R1.59814 O=C(CCOCCO)c1cc(c(c(c1)O)O)O 1458a_100000212154_100011215305 [0,3,0,0,0,0|0,0,0]=3 3470 B17R1.76157 C=C(C)CNNC(=O)c1cc(c(c(c1)O)O)O 22a_100000729518_100000212154 [0,3,0,0,0,0|1,0,0]=4 3471 B17R1.76157 CC(=CCCC(=O)c1cc(c(c(c1)O)O)O)C 1458a_100000212154_100011217483 [0,3,0,0,0,0|1,0,0]=4 3472 B17R1.76157 CC(=O)CCCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100011215641 [0,3,0,0,0,0|1,0,0]=4 3473 B17R1.76157 CC(=O)NCCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000189650 [0,3,0,0,0,0|1,0,0]=4 3474 B17R1.76157 CC(=O)OCCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100009814007 [0,3,0,0,0,0|0,0,1]=4 3475 B17R1.76157 CC(C)CCCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100011214892 [0,3,0,0,0,0|1,0,0]=4 3476 B17R1.76157 CC(C)CNNC(=O)c1cc(c(c(c1)O)O)O 22a_100000696102_100000212154 [0,3,0,0,0,0|1,0,0]=4 3477 B17R1.76157 CC(C)OCCC(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100000211751 [0,3,0,0,0,0|1,0,0]=4 3478 B17R1.76157 CC(C)OCCC(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100000211751 [0,3,0,0,0,0|1,0,0]=4 3479 B17R1.76157 CC(C)OCCC(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_100000211751 [0,3,0,0,0,0|1,0,0]=4 3480 B17R1.76157 CC(C)OCCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000211751 [0,3,0,0,0,0|0,0,0]=3 3481 B17R1.76157 CC(C)SCCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000730970 [0,3,0,0,0,0|0,1,0]=4 3482 B17R1.76157 CC(O)CCCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_200000718107 [0,3,0,0,0,0|1,0,0]=4 3483 B17R1.76157 CC(O)CNNC(=O)c1cc(c(c(c1)O)O)O 22a_200000730056_100000212154 [0,3,0,0,0,0|1,0,0]=4 3484 B17R1.76157 CN(C)CCCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000695564 [0,3,0,0,0,0|1,0,0]=4 3485 B17R1.76157 Cc1c(cc(cc1O)C(=O)CCOC(C)C)O 1458a_100000031928_100000211751 [0,3,0,0,0,0|1,0,0]=4 3486 B17R1.76157 NC(=O)CCCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100102525003 [0,3,0,0,0,0|1,0,0]=4 3487 B17R1.153059 CCC(=O)NNC(=O)c1cc(c(c(c1)O)O)O 22a_100000183195_100000212154 [0,3,0,0,0,0|1,0,0]=4 3488 B17R1.153059 CCC(C)NNC(=O)c1cc(c(c(c1)O)O)O 22a_100000718999_100000212154 [0,3,0,0,0,0|1,0,0]=4 3489 B17R1.184434 C#CCCCC(=O)c1cc(c(c(c1)OC)O)O 1458a_100000061230_100000731252 [0,3,0,0,0,0|1,0,0]=4 3490 B17R1.184434 C=CCCCC(=O)c1cc(c(c(c1)OC)O)O 1458a_100000061230_100000757094 [0,3,0,0,0,0|1,0,0]=4 3491 B17R1.184434 CC/C=C\CC(=O)c1cc(c(c(c1)OC)O)O 1458a_100000061230_100103147603 [0,3,0,0,0,0|1,0,0]=4 3492 B17R1.184434 CCC#CCC(=O)c1cc(c(c(c1)OC)O)O 1458a_100000061230_100009813939 [0,3,0,0,0,0|1,0,0]=4 3493 B17R1.184434 CCCCCC(=O)c1cc(c(c(c1)OC)O)O 1458a_100000061230_100000210326 [0,3,0,0,0,0|1,0,0]=4 3494 B17R1.184434 CCCNNC(=O)c1cc(c(c(c1)OC)O)O 22a_100000740057_100000061230 [0,3,0,0,0,0|1,0,0]=4 3495 B17R1.184434 CCOCCC(=O)c1cc(c(c(c1)OC)O)Cl 1458a_100000209947_100011215890 [0,3,0,0,0,0|1,0,0]=4 3496 B17R1.184434 CCOCCC(=O)c1cc(c(c(c1)OC)O)O 1458a_100000061230_100011215890 [0,3,0,0,0,0|0,0,0]=3 3497 B17R1.184434 CCSCCC(=O)c1cc(c(c(c1)OC)O)O 1458a_100000061230_100000757381 [0,3,0,0,0,0|0,1,0]=4 3498 B17R1.184434 COCCCC(=O)c1cc(c(c(c1)OC)O)O 1458a_100000061230_100000740836 [0,3,0,0,0,0|1,0,0]=4 3499 B17R1.184434 COc1cc(cc(c1O)O)C(=O)CCCC#N 1458a_100000061230_100000211468 [0,3,0,0,0,0|1,0,0]=4 3500 B17R1.184434 COc1cc(cc(c1O)O)C(=O)CCCCF 1458a_100000061230_100000729493 [0,3,0,0,0,0|1,0,0]=4 3501 B17R1.184434 COc1cc(cc(c1O)O)C(=O)CCCCO 1458a_100000061230_100000210776 [0,3,0,0,0,0|1,0,0]=4 3502 B17R1.184434 COc1cc(cc(c1O)O)C(=O)NNCCO 22a_100000210001_100000061230 [0,3,0,0,0,0|1,0,0]=4 3503 B17R1.184435 C#CCCCC(=O)c1cc(c(c(c1)O)OC)O 1458a_100000073573_100000731252 [0,3,0,0,0,0|1,0,0]=4 3504 B17R1.184435 C=CCCCC(=O)c1cc(c(c(c1)O)OC)O 1458a_100000073573_100000757094 [0,3,0,0,0,0|1,0,0]=4 3505 B17R1.184435 CC/C=C\CC(=O)c1cc(c(c(c1)O)OC)O 1458a_100000073573_100103147603 [0,3,0,0,0,0|1,0,0]=4 3506 B17R1.184435 CCC#CCC(=O)c1cc(c(c(c1)O)OC)O 1458a_100000073573_100009813939 [0,3,0,0,0,0|1,0,0]=4 3507 B17R1.184435 CCCCCC(=O)c1cc(c(c(c1)O)OC)O 1458a_100000073573_100000210326 [0,3,0,0,0,0|1,0,0]=4 3508 B17R1.184435 CCCNNC(=O)c1cc(c(c(c1)O)OC)O 22a_100000740057_100000073573 [0,3,0,0,0,0|1,0,0]=4 3509 B17R1.184435 CCOCCC(=O)c1cc(c(c(c1)Br)OC)O 1458a_100010760816_100011215890 [0,3,0,0,0,0|1,0,0]=4 3510 B17R1.184435 CCOCCC(=O)c1cc(c(c(c1)O)OC)O 1458a_100000073573_100011215890 [0,3,0,0,0,0|0,0,0]=3 3511 B17R1.184435 CCSCCC(=O)c1cc(c(c(c1)O)OC)O 1458a_100000073573_100000757381 [0,3,0,0,0,0|0,1,0]=4 3512 B17R1.184435 COCCCC(=O)c1cc(c(c(c1)O)OC)O 1458a_100000073573_100000740836 [0,3,0,0,0,0|1,0,0]=4 3513 B17R1.184435 COc1c(cc(cc1O)C(=O)CCCC#N)O 1458a_100000073573_100000211468 [0,3,0,0,0,0|1,0,0]=4 3514 B17R1.184435 COc1c(cc(cc1O)C(=O)CCCCF)O 1458a_100000073573_100000729493 [0,3,0,0,0,0|1,0,0]=4 3515 B17R1.184435 COc1c(cc(cc1O)C(=O)CCCCO)O 1458a_100000073573_100000210776 [0,3,0,0,0,0|1,0,0]=4 3516 B17R1.184435 COc1c(cc(cc1O)C(=O)NNCCO)O 22a_100000210001_100000073573 [0,3,0,0,0,0|1,0,0]=4 3517 B17R1.14694 CCC(=O)CC(=O)c1cc(c(c(c1)OC)O)O 1458a_100000061230_100000747405 [0,3,0,0,0,0|1,0,0]=4 3518 B17R1.14694 CCC(C)CC(=O)c1cc(c(c(c1)OC)O)O 1458a_100000061230_100000748023 [0,3,0,0,0,0|1,0,0]=4 3519 B17R1.14694 CCC(O)CC(=O)c1cc(c(c(c1)OC)O)O 1458a_100000061230_100011218378 [0,3,0,0,0,0|1,0,0]=4 3520 B17R1.14694 CC[C@H](C)CC(=O)c1cc(c(c(c1)OC)O)O 1458a_100000061230_100009816398 [0,3,0,0,0,0|1,0,0]=4 3521 B17R1.14694 COc1cc(cc(c1O)O)C(=O)C[C@@H](C)CO 1458a_100000061230_100000059175 [0,3,0,0,0,0|1,0,0]=4 3522 B17R1.59003 CCC(=O)CC(=O)c1cc(c(c(c1)O)OC)O 1458a_100000073573_100000747405 [0,3,0,0,0,0|1,0,0]=4 3523 B17R1.59003 CCC(C)CC(=O)c1cc(c(c(c1)O)OC)O 1458a_100000073573_100000748023 [0,3,0,0,0,0|1,0,0]=4 3524 B17R1.59003 CCC(O)CC(=O)c1cc(c(c(c1)O)OC)O 1458a_100000073573_100011218378 [0,3,0,0,0,0|1,0,0]=4 3525 B17R1.59003 CC[C@H](C)CC(=O)c1cc(c(c(c1)O)OC)O 1458a_100000073573_100009816398 [0,3,0,0,0,0|1,0,0]=4 3526 B17R1.59003 COc1c(cc(cc1O)C(=O)C[C@@H](C)CO)O 1458a_100000073573_100000059175 [0,3,0,0,0,0|1,0,0]=4 3527 B17R1.76156 CC(C)C(=O)CC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000753385 [0,3,0,0,0,0|1,0,0]=4 3528 B17R1.92811 CCS(=O)(=O)NC(=O)c1cc(c(c(c1)O)O)O 2740a_100000171174_100000212154 [0,3,0,0,0,0|0,1,0]=4 3529 B17R1.101756 CCC(CC)CC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100011215472 [0,3,0,0,0,0|1,0,0]=4 3530 B17R1.101756 COC(CC(=O)c1cc(c(c(c1)O)O)O)OC 1458a_100000212154_100000751394 [0,3,0,0,0,0|1,0,0]=4 3531 B17R1.457 C=C(C)CCC(=O)c1cc(c(c(c1)OC)O)O 1458a_100000061230_100000730704 [0,3,0,0,0,0|1,0,0]=4 3532 B17R1.457 COc1cc(cc(c1O)O)C(=O)CCC(C)C 1458a_100000061230_100000210312 [0,3,0,0,0,0|1,0,0]=4 3533 B17R1.457 COc1cc(cc(c1O)O)C(=O)CCC(C)O 1458a_100000061230_100012276601 [0,3,0,0,0,0|1,0,0]=4 3534 B17R1.457 COc1cc(cc(c1O)O)C(=O)NNC(C)C 22a_100000741168_100000061230 [0,3,0,0,0,0|1,0,0]=4 3535 B17R1.58981 C=C(C)CCC(=O)c1cc(c(c(c1)O)OC)O 1458a_100000073573_100000730704 [0,3,0,0,0,0|1,0,0]=4 3536 B17R1.58981 COc1c(cc(cc1O)C(=O)CCC(C)C)O 1458a_100000073573_100000210312 [0,3,0,0,0,0|1,0,0]=4 3537 B17R1.58981 COc1c(cc(cc1O)C(=O)CCC(C)O)O 1458a_100000073573_100012276601 [0,3,0,0,0,0|1,0,0]=4 3538 B17R1.58981 COc1c(cc(cc1O)C(=O)NNC(C)C)O 22a_100000741168_100000073573 [0,3,0,0,0,0|1,0,0]=4 3539 B17R1.304823 CC(C)(C)CCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000755188 [0,3,0,0,0,0|1,0,0]=4 3540 B17R1.304823 CC(C)(C)NNC(=O)c1cc(c(c(c1)O)O)O 22a_100000725372_100000212154 [0,3,0,0,0,0|1,0,0]=4 3541 B17R1.304823 CS(=O)(=O)CCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000731031 [0,3,0,0,0,0|1,0,0]=4 3542 B17R1.304823 C[N+](C)(C)CCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000085578 [0,3,0,0,0,0|1,0,0]=4 3543 B17R1.304823 C[Si](C)(C)CCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_200000733723 [0,3,0,0,0,0|1,0,0]=4 3544 B17R1.304823 O=C(CCC(F)(F)F)c1cc(c(c(c1)O)O)O 1458a_100000212154_100011219754 [0,3,0,0,0,0|1,0,0]=4 3545 B17R1.67160 CCCCC(=O)c1cc(c(c(c1)OC)O)OC 1458a_100000692901_100000210211 [0,3,0,0,0,0|1,0,0]=4 3546 B17R1.67160 CCCNC(=O)c1cc(c(c(c1)OC)O)OC 240690a_100020643023_100000692901 [0,3,0,0,0,0|1,0,0]=4 3547 B17R1.67160 CCCNC(=O)c1cc(c(c(c1)OC)O)OC 527a_100020643023_100000692901 [0,3,0,0,0,0|1,0,0]=4 3548 B17R1.67160 CCNNC(=O)c1cc(c(c(c1)OC)O)OC 22a_100000756455_100000692901 [0,3,0,0,0,0|1,0,0]=4 3549 B17R1.67160 COCCC(=O)c1cc(c(c(c1)OC)O)OC 1458a_100000692901_100000233755 [0,3,0,0,0,0|1,0,0]=4 3550 B17R1.67160 COc1cc(cc(c1O)OC)C(=O)CCCF 1458a_100000692901_100011934791 [0,3,0,0,0,0|1,0,0]=4 3551 B17R1.67160 COc1cc(cc(c1O)OC)C(=O)CCCO 1458a_100000692901_100011215043 [0,3,0,0,0,0|1,0,0]=4 3552 B17R1.67160 COc1cc(cc(c1O)OC)C(=O)CCSC 1458a_100000692901_100000751147 [0,3,0,0,0,0|1,0,0]=4 3553 B17R1.67160 COc1cc(cc(c1O)OC)C(=O)NCCF 240690a_100000724931_100000692901 [0,3,0,0,0,0|1,0,0]=4 3554 B17R1.67160 COc1cc(cc(c1O)OC)C(=O)NCCF 527a_100000724931_100000692901 [0,3,0,0,0,0|1,0,0]=4 3555 B17R1.67160 COc1cc(cc(c1O)OC)C(=O)NCCO 240690a_100000210304_100000692901 [0,3,0,0,0,0|1,0,0]=4 3556 B17R1.67160 COc1cc(cc(c1O)OC)C(=O)NCCO 527a_100000210304_100000692901 [0,3,0,0,0,0|1,0,0]=4 3557 B17R1.67161 CCCCC(=O)c1cc(c(c(c1)OC)OC)O 1458a_100000032013_100000210211 [0,3,0,0,0,0|1,0,0]=4 3558 B17R1.67161 CCCNC(=O)c1cc(c(c(c1)OC)OC)O 240690a_100020643023_100000032013 [0,3,0,0,0,0|1,0,0]=4 3559 B17R1.67161 CCCNC(=O)c1cc(c(c(c1)OC)OC)O 527a_100020643023_100000032013 [0,3,0,0,0,0|1,0,0]=4 3560 B17R1.67161 CCNNC(=O)c1cc(c(c(c1)OC)OC)O 22a_100000756455_100000032013 [0,3,0,0,0,0|1,0,0]=4 3561 B17R1.67161 COCCC(=O)c1cc(c(c(c1)OC)OC)O 1458a_100000032013_100000233755 [0,3,0,0,0,0|1,0,0]=4 3562 B17R1.67161 COc1cc(cc(c1OC)O)C(=O)CCCF 1458a_100000032013_100011934791 [0,3,0,0,0,0|1,0,0]=4 3563 B17R1.67161 COc1cc(cc(c1OC)O)C(=O)CCCO 1458a_100000032013_100011215043 [0,3,0,0,0,0|1,0,0]=4 3564 B17R1.67161 COc1cc(cc(c1OC)O)C(=O)CCSC 1458a_100000032013_100000751147 [0,3,0,0,0,0|1,0,0]=4 3565 B17R1.67161 COc1cc(cc(c1OC)O)C(=O)NCCF 240690a_100000724931_100000032013 [0,3,0,0,0,0|1,0,0]=4 3566 B17R1.67161 COc1cc(cc(c1OC)O)C(=O)NCCF 527a_100000724931_100000032013 [0,3,0,0,0,0|1,0,0]=4 3567 B17R1.67161 COc1cc(cc(c1OC)O)C(=O)NCCO 240690a_100000210304_100000032013 [0,3,0,0,0,0|1,0,0]=4 3568 B17R1.67161 COc1cc(cc(c1OC)O)C(=O)NCCO 527a_100000210304_100000032013 [0,3,0,0,0,0|1,0,0]=4 3569 B17R1.14649 COc1cc(cc(c1OC)O)C(=O)CC(C)C 1458a_100000032013_100000210624 [0,3,0,0,0,0|1,0,0]=4 3570 B17R1.14649 COc1cc(cc(c1OC)O)C(=O)CC(C)O 1458a_100000032013_100011218427 [0,3,0,0,0,0|1,0,0]=4 3571 B17R1.14649 COc1cc(cc(c1OC)O)C(=O)NC(C)C 240690a_100138425928_100000032013 [0,3,0,0,0,0|1,0,0]=4 3572 B17R1.14649 COc1cc(cc(c1OC)O)C(=O)NC(C)C 527a_100138425928_100000032013 [0,3,0,0,0,0|1,0,0]=4 3573 B17R1.14680 COc1cc(cc(c1O)OC)C(=O)CC(C)C 1458a_100000692901_100000210624 [0,3,0,0,0,0|1,0,0]=4 3574 B17R1.14680 COc1cc(cc(c1O)OC)C(=O)CC(C)O 1458a_100000692901_100011218427 [0,3,0,0,0,0|1,0,0]=4 3575 B17R1.14680 COc1cc(cc(c1O)OC)C(=O)NC(C)C 240690a_100138425928_100000692901 [0,3,0,0,0,0|1,0,0]=4 3576 B17R1.14680 COc1cc(cc(c1O)OC)C(=O)NC(C)C 527a_100138425928_100000692901 [0,3,0,0,0,0|1,0,0]=4 3577 B17R1.115082 CCCC(=O)c1cc(c(c(c1)OC)OC)OC 1458a_100000210649_100000210303 [0,3,0,0,0,0|1,0,0]=4 3578 B17R1.115082 CCNC(=O)c1cc(c(c(c1)OC)OC)OC 11a_100015525214_100000210649 [0,3,0,0,0,0|1,0,0]=4 3579 B17R1.115082 CCNC(=O)c1cc(c(c(c1)OC)OC)OC 240690a_100015525214_100000210649 [0,3,0,0,0,0|1,0,0]=4 3580 B17R1.115082 CCNC(=O)c1cc(c(c(c1)OC)OC)OC 527a_100015525214_100000210649 [0,3,0,0,0,0|1,0,0]=4 3581 B13R2.162 O=C1CCCc2c1cc(cc2)O 271570a_203496583355_100000760428 [2,0,0,1,0,0|1,0,0]=4 3582 B13R2.162 O=C1NCCc2c1cc(cc2)O 271570a_203496583355_100000688804 [2,0,0,1,0,0|1,0,0]=4 3583 B13R2.342 O=C1CCCc2c1cccc2O 271570a_203496583355_100000691372 [2,0,0,1,0,0|1,0,0]=4 3584 B13R2.342 O=C1NCCc2c1cccc2O 271570a_203496583355_100000695023 [2,0,0,1,0,0|1,0,0]=4 3585 B13R2.3742 Cc1cc(c2c(c1)C(=O)CC2)O 271570a_203496583355_200012347971 [2,0,0,1,0,0|1,0,0]=4 3586 B13R2.3742 Cc1cc(cc2c1CCC2=O)O 271570a_203496583355_200010133532 [2,0,0,1,0,0|1,0,0]=4 3587 B13R2.3742 O=C1CCc2c1cc(cc2F)O 271570a_203496583355_100000751134 [2,0,0,1,0,0|1,0,0]=4 3588 B13R2.3742 O=C1CCc2c1cc(cc2O)F 271570a_203496583355_100012355282 [2,0,0,1,0,0|1,0,0]=4 3589 B13R2.12 Oc1ccc(cc1)C2=NCCO2 271570a_203496583355_100009812740 [2,0,0,1,0,0|1,0,0]=4 3590 B13R2.520 O=C(c1ccc(cc1)O)C2CC2 271570a_203496583355_100000764646 [2,0,0,1,0,0|1,0,0]=4 3591 B13R2.5179 O=C1CCCc2c1ccc(c2)O 271570a_203496583355_100000688402 [2,0,0,1,0,0|1,0,0]=4 3592 B13R2.5179 O=C1NCCc2c1ccc(c2)O 271570a_203496583355_100009817313 [2,0,0,1,0,0|1,0,0]=4 3593 B13R2.5180 Cc1c(ccc2c1CCC2=O)O 271570a_203496583355_100010133460 [2,0,0,1,0,0|1,0,0]=4 3594 B13R2.5180 Cc1c(ccc2c1COC2=O)O 271570a_203496583355_100010986288 [2,0,0,1,0,0|1,0,0]=4 3595 B13R2.5180 Cc1ccc2c(c1O)CCC2=O 271570a_203496583355_100010133459 [2,0,0,1,0,0|1,0,0]=4 3596 B13R2.5180 O=C1CCc2c1ccc(c2F)O 271570a_203496583355_100010133455 [2,0,0,1,0,0|1,0,0]=4 3597 B13R2.5180 O=C1CCc2c1ccc(c2O)F 271570a_203496583355_200010133454 [2,0,0,1,0,0|1,0,0]=4 3598 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)O)O 271570a_100010199719_100009813601 [0,0,1,1,0,1|1,0,0]=4 3599 B15R1.791 CCOC(=O)C=Cc1ccc(cc1O)O 271570a_100010199719_100009813921 [0,0,1,1,0,1|1,0,0]=4 3600 B15R1.27 CCOC(=O)C=Cc1cccc(c1O)O 271570a_100010199719_100009815950 [0,1,1,1,0,0|1,0,0]=4 3601 B15R2.41266 O=C(Nc1cc(cc(c1)O)O)C2CC2 527a_100000043371_100000210395 [1,0,0,1,0,1|1,0,0]=4 3602 B15R2.1526 O=C(Nc1ccc(c(c1)O)O)C2CC2 22a_100102946323_100000210395 [1,0,0,1,0,1|1,0,0]=4 3603 B15R2.1526 O=C(Nc1ccc(c(c1)O)O)C2CC2 527a_100102946323_100000210395 [1,0,0,1,0,1|1,0,0]=4 3604 B15R2.27 Oc1cc(cc(c1)C2=CCCCO2)O 271570a_100010177797_100009868816 [1,1,0,1,0,0|1,0,0]=4 3605 B15R2.27 Oc1cc(cc(c1)C2=COCCC2)O 271570a_100010175576_100009868816 [1,1,0,1,0,0|1,0,0]=4 3606 B15R2.6869 O=C(c1cc(cc(c1)O)O)N2CCC2 240690a_100000754969_100000690292 [1,1,0,1,0,0|1,0,0]=4 3607 B15R2.6869 O=C(c1cc(cc(c1)O)O)N2CCC2 527a_100000754969_100000690292 [1,1,0,1,0,0|1,0,0]=4 3608 B15R2.6870 O=C(NC1CC1)c2cc(cc(c2)O)O 240690a_100000212008_100000690292 [1,1,0,1,0,0|1,0,0]=4 3609 B15R2.6870 O=C(NC1CC1)c2cc(cc(c2)O)O 527a_100000212008_100000690292 [1,1,0,1,0,0|1,0,0]=4 3610 B15R2.94 Oc1ccc(cc1O)C2=CCCCO2 271570a_100010177797_100009813601 [1,1,0,1,0,0|1,0,0]=4 3611 B15R2.94 Oc1ccc(cc1O)C2=COCCC2 271570a_100010175576_100009813601 [1,1,0,1,0,0|1,0,0]=4 3612 B15R2.18898 O=C(CC1CC1)c2ccc(c(c2)O)O 1458a_100000212155_100000742324 [1,1,0,1,0,0|1,0,0]=4 3613 B15R2.18898 O=C(CC1CO1)c2ccc(c(c2)O)O 1458a_100000212155_100011216344 [1,1,0,1,0,0|1,0,0]=4 3614 B15R2.18898 O=C(CC1CS1)c2ccc(c(c2)O)O 1458a_100000212155_100000031435 [1,1,0,1,0,0|1,0,0]=4 3615 B15R2.18898 O=C(C[C@@H]1CO1)c2ccc(c(c2)O)O 1458a_100000212155_100000745022 [1,1,0,1,0,0|1,0,0]=4 3616 B15R2.19038 O=C(c1ccc(c(c1)O)O)C2CCC2 1458a_100000212155_100000749161 [1,1,0,1,0,0|1,0,0]=4 3617 B15R2.19038 O=C(c1ccc(c(c1)O)O)C2COC2 1458a_100000212155_100000687716 [1,1,0,1,0,0|1,0,0]=4 3618 B17R2.255999 O=C1CCCC1Sc2cc(c(c(c2)O)O)O 62a_100000211823_100010658518 [0,0,0,1,0,2|1,0,0]=4 3619 B17R2.255999 O=C1OCCC1Sc2cc(c(c(c2)F)O)O 62a_100000211211_100010114375 [0,0,0,1,0,2|1,0,0]=4 3620 B17R2.255999 O=C1OCCC1Sc2cc(c(c(c2)O)O)O 62a_100000211211_100010658518 [0,0,0,1,0,2|0,0,0]=3 3621 B17R2.882120 O=C(CSc1cc(c(c(c1)O)O)O)C2CC2 62a_100000746382_100010658518 [0,0,0,1,0,2|1,0,0]=4 3622 B17R2.96301 CCc1noc(n1)c2cc(c(c(c2)O)O)O 270196a_200000212204_100000212154 [0,2,0,1,0,0|1,0,0]=4 3623 B17R2.278454 COc1cc(cc(c1O)O)C(=O)C2CCC2 1458a_100000061230_100000749161 [0,2,0,1,0,0|1,0,0]=4 3624 B17R2.278454 COc1cc(cc(c1O)O)C(=O)C2COC2 1458a_100000061230_100000687716 [0,2,0,1,0,0|1,0,0]=4 3625 B17R2.138091 COc1c(cc(cc1O)C(=O)C2CCC2)O 1458a_100000073573_100000749161 [0,2,0,1,0,0|1,0,0]=4 3626 B17R2.138091 COc1c(cc(cc1O)C(=O)C2COC2)O 1458a_100000073573_100000687716 [0,2,0,1,0,0|1,0,0]=4 3627 B17R2.1524491 N#CC1(CC1)C(=O)c2cc(c(c(c2)O)O)O 1458a_100000212154_100009889376 [0,2,0,1,0,0|1,0,0]=4 3628 B17R2.923290 O=C1CCC1C(=O)c2cc(c(c(c2)O)O)O 1458a_100000212154_100009892977 [0,2,0,1,0,0|1,0,0]=4 3629 B17R2.771180 Cc1c(cc(cc1O)C(=O)CC2CCO2)O 1458a_100000031928_100000103362 [0,2,0,1,0,0|1,0,0]=4 3630 B17R2.771180 O=C(CC1CCC1)c2cc(c(c(c2)O)O)O 1458a_100000212154_100000763275 [0,2,0,1,0,0|1,0,0]=4 3631 B17R2.771180 O=C(CC1CCO1)c2cc(c(c(c2)Br)O)O 1458a_200009992764_100000103362 [0,2,0,1,0,0|1,0,0]=4 3632 B17R2.771180 O=C(CC1CCO1)c2cc(c(c(c2)Cl)O)O 1458a_200000078382_100000103362 [0,2,0,1,0,0|1,0,0]=4 3633 B17R2.771180 O=C(CC1CCO1)c2cc(c(c(c2)O)Cl)O 1458a_100000074654_100000103362 [0,2,0,1,0,0|1,0,0]=4 3634 B17R2.771180 O=C(CC1CCO1)c2cc(c(c(c2)O)O)O 1458a_100000212154_100000103362 [0,2,0,1,0,0|0,0,0]=3 3635 B17R2.771180 O=C(CC1COC1)c2cc(c(c(c2)O)O)O 1458a_100000212154_100010264016 [0,2,0,1,0,0|1,0,0]=4 3636 B17R2.882091 O=C(CCC1CC1)c2cc(c(c(c2)O)O)O 1458a_100000212154_100000694398 [0,2,0,1,0,0|1,0,0]=4 3637 B17R2.882091 O=C(CCC1CO1)c2cc(c(c(c2)O)O)O 1458a_100000212154_100000732470 [0,2,0,1,0,0|1,0,0]=4 3638 B17R2.882091 O=C(NNC1CC1)c2cc(c(c(c2)O)O)O 22a_100000701032_100000212154 [0,2,0,1,0,0|1,0,0]=4 3639 B17R2.176313 CC1(CO1)CC(=O)c2cc(c(c(c2)O)O)O 1458a_100000212154_100000760498 [0,2,0,1,0,0|1,0,0]=4 3640 B17R2.43164 COc1cc(cc(c1O)O)C(=O)CC2CC2 1458a_100000061230_100000742324 [0,2,0,1,0,0|1,0,0]=4 3641 B17R2.43164 COc1cc(cc(c1O)O)C(=O)CC2CO2 1458a_100000061230_100011216344 [0,2,0,1,0,0|1,0,0]=4 3642 B17R2.43164 COc1cc(cc(c1O)O)C(=O)CC2CS2 1458a_100000061230_100000031435 [0,2,0,1,0,0|1,0,0]=4 3643 B17R2.43164 COc1cc(cc(c1O)O)C(=O)C[C@@H]2CO2 1458a_100000061230_100000745022 [0,2,0,1,0,0|1,0,0]=4 3644 B17R2.138092 COc1c(cc(cc1O)C(=O)CC2CC2)O 1458a_100000073573_100000742324 [0,2,0,1,0,0|1,0,0]=4 3645 B17R2.138092 COc1c(cc(cc1O)C(=O)CC2CO2)O 1458a_100000073573_100011216344 [0,2,0,1,0,0|1,0,0]=4 3646 B17R2.138092 COc1c(cc(cc1O)C(=O)CC2CS2)O 1458a_100000073573_100000031435 [0,2,0,1,0,0|1,0,0]=4 3647 B17R2.138092 COc1c(cc(cc1O)C(=O)C[C@@H]2CO2)O 1458a_100000073573_100000745022 [0,2,0,1,0,0|1,0,0]=4 3648 B17R2.49982 CCCC(=O)c1cc(c2c(c1)OCO2)OC 1458a_100011218003_100000210303 [0,2,0,1,0,0|1,0,0]=4 3649 B17R2.49982 CCNC(=O)c1cc(c2c(c1)OCO2)OC 11a_100015525214_100011218003 [0,2,0,1,0,0|1,0,0]=4 3650 B17R2.49982 CCNC(=O)c1cc(c2c(c1)OCO2)OC 240690a_100015525214_100011218003 [0,2,0,1,0,0|1,0,0]=4 3651 B17R2.49982 CCNC(=O)c1cc(c2c(c1)OCO2)OC 527a_100015525214_100011218003 [0,2,0,1,0,0|1,0,0]=4 3652 B11R1.15 CCOC(=O)c1cc(cs1)O 271570a_203496583355_100009815474 [2,0,0,0,1,0|1,0,0]=4 3653 B11R1.15 CCOC(=O)c1ccc([nH]1)O 271570a_203496583355_200000687776 [2,0,0,0,1,0|1,0,0]=4 3654 B11R1.15 CCOC(=O)c1ccc(o1)O 271570a_203496583355_200000170220 [2,0,0,0,1,0|1,0,0]=4 3655 B11R1.15 CCOC(=O)c1ccc(s1)O 271570a_203496583355_100000172375 [2,0,0,0,1,0|1,0,0]=4 3656 B11R1.15 CCOC(=O)c1csc(c1)O 271570a_203496583355_100011228516 [2,0,0,0,1,0|1,0,0]=4 3657 B11R1.199 CCOC(=O)c1ccsc1O 271570a_203496583355_100010219215 [2,0,0,0,1,0|1,0,0]=4 3658 B11R1.199 CCOC(=O)c1cscc1O 271570a_203496583355_100012353568 [2,0,0,0,1,0|1,0,0]=4 3659 B11R1.865 COC(=O)c1scc(c1O)O 271570a_203496583355_100009812821 [2,0,0,0,1,0|1,0,0]=4 3660 B13R1.20 CCCC(=O)Cc1cccc(c1)O 1458a_100000211992_100011660834 [2,0,0,0,0,1|1,0,0]=4 3661 B13R1.20 CCCC(=O)Cc1cccc(c1)O 1458a_100000745134_100000210303 [2,0,0,0,0,1|1,0,0]=4 3662 B13R1.20 CCCC(=O)Nc1cccc(c1)O 1626a_100000210217_100000211992 [2,0,0,0,0,1|1,0,0]=4 3663 B13R1.20 CCCC(=O)Nc1cccc(c1)O 22a_100000210217_100000211992 [2,0,0,0,0,1|1,0,0]=4 3664 B13R1.20 CCCC(=O)Nc1cccc(c1)O 527a_100000210217_100000211992 [2,0,0,0,0,1|1,0,0]=4 3665 B13R1.20 CCNC(=O)Cc1cccc(c1)O 240690a_100015525214_100000745134 [2,0,0,0,0,1|1,0,0]=4 3666 B13R1.20 CCNC(=O)Cc1cccc(c1)O 527a_100015525214_100000745134 [2,0,0,0,0,1|1,0,0]=4 3667 B13R1.20 CCNC(=O)Nc1cccc(c1)O 2430a_100000210217_100015525214 [2,0,0,0,0,1|1,0,0]=4 3668 B13R1.20 CCNC(=O)Nc1cccc(c1)O 512a_100000210217_100015525214 [2,0,0,0,0,1|1,0,0]=4 3669 B13R1.20 CCOC(=O)Cc1cc(ccn1)O 271570a_203496583355_100000716784 [2,0,0,0,0,1|1,0,0]=4 3670 B13R1.20 CCOC(=O)Cc1cccc(c1)O 271570a_203496583355_100011586817 [2,0,0,0,0,1|0,0,0]=3 3671 B13R1.20 CCOC(=O)Cc1cccc(n1)O 271570a_203496583355_100010230180 [2,0,0,0,0,1|1,0,0]=4 3672 B13R1.20 CCOC(=O)Cc1ccnc(c1)O 271570a_203496583355_100000696486 [2,0,0,0,0,1|1,0,0]=4 3673 B13R1.19 CCCC(=O)Cc1ccc(cc1)O 1458a_100000198540_100000210303 [2,0,0,0,0,1|1,0,0]=4 3674 B13R1.19 CCCC(=O)Nc1ccc(cc1)O 22a_100000185829_100000211992 [2,0,0,0,0,1|1,0,0]=4 3675 B13R1.19 CCNC(=O)Cc1ccc(cc1)O 240690a_100015525214_100000198540 [2,0,0,0,0,1|1,0,0]=4 3676 B13R1.19 CCNC(=O)Cc1ccc(cc1)O 527a_100015525214_100000198540 [2,0,0,0,0,1|1,0,0]=4 3677 B13R1.19 CCNC(=O)Nc1ccc(cc1)O 2430a_100000185829_100015525214 [2,0,0,0,0,1|1,0,0]=4 3678 B13R1.19 CCOC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000170549 [2,0,0,0,0,1|0,0,0]=3 3679 B13R1.19 CCOC(=O)Cc1ccc(cn1)O 271570a_203496583355_100012359163 [2,0,0,0,0,1|1,0,0]=4 3680 B13R1.19 CCOC(=O)Cc1ccc(nc1)O 271570a_203496583355_100000071673 [2,0,0,0,0,1|1,0,0]=4 3681 B13R1.19 CCOC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000158341 [2,0,0,0,0,1|0,0,0]=3 3682 B15R1.9720 CCCC(=O)C=Cc1cc(cc(c1)O)O 6a_100000043415_100011215381 [1,0,0,0,0,2|1,0,0]=4 3683 B15R1.9720 CCCC(=O)CSc1cc(cc(c1)O)O 62a_100000747444_100009868816 [1,0,0,0,0,2|1,0,0]=4 3684 B15R1.9720 CCCC(=O)NCc1cc(cc(c1)O)O 240690a_100159270720_100000211992 [1,0,0,0,0,2|1,0,0]=4 3685 B15R1.9720 CCCC(=O)NCc1cc(cc(c1)O)O 527a_100159270720_100000211992 [1,0,0,0,0,2|1,0,0]=4 3686 B15R1.9720 CCNC(=O)CNc1cc(cc(c1)O)O 34a_100000043371_100000183381 [1,0,0,0,0,2|1,0,0]=4 3687 B15R1.9720 CCNC(=O)CSc1cc(cc(c1)O)O 62a_100000183381_100009868816 [1,0,0,0,0,2|1,0,0]=4 3688 B15R1.9720 CCNC(=O)NCc1cc(cc(c1)O)O 2708a_100015525214_100159270720 [1,0,0,0,0,2|1,0,0]=4 3689 B15R1.9720 CCNC(=O)NCc1cc(cc(c1)O)O 2708a_100159270720_100015525214 [1,0,0,0,0,2|1,0,0]=4 3690 B15R1.9720 CCNC(=O)NCc1cc(cc(c1)O)O 273464a_100015525214_100159270720 [1,0,0,0,0,2|1,0,0]=4 3691 B15R1.9720 CCNC(=O)NCc1cc(cc(c1)O)O 273464a_100159270720_100015525214 [1,0,0,0,0,2|1,0,0]=4 3692 B15R1.9720 CCNC(=O)NCc1cc(cc(c1)O)O 512a_100015525214_100159270720 [1,0,0,0,0,2|1,0,0]=4 3693 B15R1.9720 CCNC(=O)NCc1cc(cc(c1)O)O 512a_100159270720_100015525214 [1,0,0,0,0,2|1,0,0]=4 3694 B15R1.9720 CCOC(=O)C=Cc1cc(cc(c1)Br)O 271570a_100010199719_100010068917 [1,0,0,0,0,2|1,0,0]=4 3695 B15R1.9720 CCOC(=O)C=Cc1cc(cc(c1)Cl)O 271570a_100010199719_100010068924 [1,0,0,0,0,2|1,0,0]=4 3696 B15R1.9720 CCOC(=O)C=Cc1cc(cc(c1)F)O 271570a_100010199719_100000717995 [1,0,0,0,0,2|1,0,0]=4 3697 B15R1.9720 CCOC(=O)C=Cc1cc(cc(c1)O)C 271570a_100010199719_100011999630 [1,0,0,0,0,2|1,0,0]=4 3698 B15R1.9720 CCOC(=O)C=Cc1cc(cc(c1)O)O 271570a_100010199719_100009868816 [1,0,0,0,0,2|0,0,0]=3 3699 B15R1.9720 CCOC(=O)CNc1cc(cc(c1)Cl)O 34a_100000123917_100000188475 [1,0,0,0,0,2|1,0,0]=4 3700 B15R1.9720 CCOC(=O)CNc1cc(cc(c1)Cl)O 7a_100000123917_100000188475 [1,0,0,0,0,2|1,0,0]=4 3701 B15R1.9720 CCOC(=O)CNc1cc(cc(c1)O)C 34a_100011995906_100000188475 [1,0,0,0,0,2|1,0,0]=4 3702 B15R1.9720 CCOC(=O)CNc1cc(cc(c1)O)C 7a_100011995906_100000188475 [1,0,0,0,0,2|1,0,0]=4 3703 B15R1.9720 CCOC(=O)CNc1cc(cc(c1)O)O 34a_100000043371_100000188475 [1,0,0,0,0,2|0,0,0]=3 3704 B15R1.9720 CCOC(=O)COc1cc(cc(c1)F)O 271570a_203496583355_100012888558 [1,0,0,0,0,2|1,0,0]=4 3705 B15R1.9720 CCOC(=O)CSc1cc(cc(c1)Br)O 62a_100000188475_100010068917 [1,0,0,0,0,2|1,0,0]=4 3706 B15R1.9720 CCOC(=O)CSc1cc(cc(c1)Br)O 62a_100010068917_100000188475 [1,0,0,0,0,2|1,0,0]=4 3707 B15R1.9720 CCOC(=O)CSc1cc(cc(c1)Cl)O 62a_100000188475_100010068924 [1,0,0,0,0,2|1,0,0]=4 3708 B15R1.9720 CCOC(=O)CSc1cc(cc(c1)Cl)O 62a_100010068924_100000188475 [1,0,0,0,0,2|1,0,0]=4 3709 B15R1.9720 CCOC(=O)CSc1cc(cc(c1)F)O 62a_100000188475_100000688818 [1,0,0,0,0,2|1,0,0]=4 3710 B15R1.9720 CCOC(=O)CSc1cc(cc(c1)F)O 62a_100000688818_100000188475 [1,0,0,0,0,2|1,0,0]=4 3711 B15R1.9720 CCOC(=O)CSc1cc(cc(c1)O)C 62a_100000188475_100011999630 [1,0,0,0,0,2|1,0,0]=4 3712 B15R1.9720 CCOC(=O)CSc1cc(cc(c1)O)O 62a_100000188475_100009868816 [1,0,0,0,0,2|0,0,0]=3 3713 B17R1.954 CCCC(=O)NN=Cc1cc(c(c(c1)O)O)O 4a_100000189770_100000042491 [0,0,0,0,0,3|1,0,0]=4 3714 B17R1.954 CCNC(=O)CCSc1cc(c(c(c1)O)O)O 62a_100000737597_100010658518 [0,0,0,0,0,3|1,0,0]=4 3715 B17R1.954 CCOC(=O)CCSc1cc(c(c(c1)F)O)O 62a_100000765890_100010114375 [0,0,0,0,0,3|1,0,0]=4 3716 B17R1.954 CCOC(=O)CCSc1cc(c(c(c1)O)O)O 62a_100000765890_100010658518 [0,0,0,0,0,3|0,0,0]=3