0 B19R1.2092 C#CCCC(=O)c1ccccc1C(=O)OCCCC 1458a_100000035225_100000753159 [1,0,0,0,0,0|0,0,2]=3 1 B19R1.2092 C#CCNC(=O)c1ccccc1C(=O)OCCCC 1626a_100000212058_100000035225 [1,0,0,0,0,0|1,0,2]=4 2 B19R1.2092 C#CCNC(=O)c1ccccc1C(=O)OCCCC 240690a_100000212058_100000035225 [1,0,0,0,0,0|1,0,2]=4 3 B19R1.2092 C#CCNC(=O)c1ccccc1C(=O)OCCCC 527a_100000212058_100000035225 [1,0,0,0,0,0|1,0,2]=4 4 B19R1.2092 C/C=C/CC(=O)c1ccccc1C(=O)OCCCC 1458a_100000035225_100102629194 [1,0,0,0,0,0|0,0,2]=3 5 B19R1.2092 C=CCCC(=O)c1ccccc1C(=O)OCCCC 1458a_100000035225_100000754431 [1,0,0,0,0,0|0,0,2]=3 6 B19R1.2092 C=CCNC(=O)c1ccccc1C(=O)OCCCC 1626a_100020586998_100000035225 [1,0,0,0,0,0|1,0,2]=4 7 B19R1.2092 C=CCNC(=O)c1ccccc1C(=O)OCCCC 240690a_100020586998_100000035225 [1,0,0,0,0,0|1,0,2]=4 8 B19R1.2092 C=CCNC(=O)c1ccccc1C(=O)OCCCC 527a_100020586998_100000035225 [1,0,0,0,0,0|1,0,2]=4 9 B19R1.2092 CC#CCC(=O)c1ccccc1C(=O)OCCCC 1458a_100000035225_100000748600 [1,0,0,0,0,0|0,0,2]=3 10 B19R1.2092 CC=CCC(=O)c1ccccc1C(=O)OCCCC 1458a_100000035225_100000070051 [1,0,0,0,0,0|0,0,2]=3 11 B19R1.2092 CCCCCC(=O)c1ccccc1C(O)CCCC 1458a_106359897921_100000210326 [1,0,0,0,0,0|1,0,2]=4 12 B19R1.2092 CCCCNC(=O)c1ccccc1C(O)CCCC 240690a_100000102301_106359897921 [1,0,0,0,0,0|1,0,2]=4 13 B19R1.2092 CCCCNC(=O)c1ccccc1N(C)CCCC 27a_100000207549_200000154865 [1,0,0,0,0,0|3,0,0]=4 14 B19R1.2092 CCCCOC(=O)c1ccccc1C(=O)CCC#N 1458a_100000035225_100011215226 [1,0,0,0,0,0|1,0,1]=3 15 B19R1.2092 CCCCOC(=O)c1ccccc1C(=O)CCCC 1458a_100000035225_100000210211 [1,0,0,0,0,0|0,0,0]=1 16 B19R1.2092 CCCCOC(=O)c1ccccc1C(=O)CCCF 1458a_100000035225_100011934791 [1,0,0,0,0,0|1,0,0]=2 17 B19R1.2092 CCCCOC(=O)c1ccccc1C(=O)CCCO 1458a_100000035225_100011215043 [1,0,0,0,0,0|1,0,0]=2 18 B19R1.2092 CCCCOC(=O)c1ccccc1C(=O)CCOC 1458a_100000035225_100000233755 [1,0,0,0,0,0|1,0,0]=2 19 B19R1.2092 CCCCOC(=O)c1ccccc1C(=O)CCSC 1458a_100000035225_100000751147 [1,0,0,0,0,0|1,0,0]=2 20 B19R1.2092 CCCCOC(=O)c1ccccc1C(=O)NCC#N 1626a_100000734998_100000035225 [1,0,0,0,0,0|2,0,1]=4 21 B19R1.2092 CCCCOC(=O)c1ccccc1C(=O)NCC#N 527a_100000734998_100000035225 [1,0,0,0,0,0|2,0,1]=4 22 B19R1.2092 CCCCOC(=O)c1ccccc1C(=O)NCCC 1626a_100020643023_100000035225 [1,0,0,0,0,0|1,0,0]=2 23 B19R1.2092 CCCCOC(=O)c1ccccc1C(=O)NCCC 240690a_100020643023_100000035225 [1,0,0,0,0,0|1,0,0]=2 24 B19R1.2092 CCCCOC(=O)c1ccccc1C(=O)NCCC 527a_100020643023_100000035225 [1,0,0,0,0,0|1,0,0]=2 25 B19R1.2092 CCCCOC(=O)c1ccccc1C(=O)NCCF 1626a_100000724931_100000035225 [1,0,0,0,0,0|2,0,0]=3 26 B19R1.2092 CCCCOC(=O)c1ccccc1C(=O)NCCF 240690a_100000724931_100000035225 [1,0,0,0,0,0|2,0,0]=3 27 B19R1.2092 CCCCOC(=O)c1ccccc1C(=O)NCCF 527a_100000724931_100000035225 [1,0,0,0,0,0|2,0,0]=3 28 B19R1.2092 CCCCOC(=O)c1ccccc1C(=O)NCCO 240690a_100000210304_100000035225 [1,0,0,0,0,0|2,0,0]=3 29 B19R1.2092 CCCCOC(=O)c1ccccc1C(=O)NCCO 527a_100000210304_100000035225 [1,0,0,0,0,0|2,0,0]=3 30 B19R1.2092 CCCCOC(=O)c1ccccc1C(=O)NNCC 22a_100000756455_100000035225 [1,0,0,0,0,0|2,0,0]=3 31 B19R1.16148 CCCCC=Cc1ccccc1C(=O)NCCCC 271570a_100016275911_200000154865 [1,0,0,0,0,0|2,0,0]=3 32 B19R1.16148 CCCCCNc1ccccc1C(=O)NCCCC 2230a_100000243867_100000210326 [1,0,0,0,0,0|3,0,0]=4 33 B19R1.16148 CCCCCNc1ccccc1C(=O)NCCCC 27a_100000209983_200000154865 [1,0,0,0,0,0|3,0,0]=4 34 B19R1.16148 CCCCCNc1ccccc1C(=O)NCCCC 34a_100000243867_100000718602 [1,0,0,0,0,0|3,0,0]=4 35 B19R1.16148 CCCCCOc1ccccc1C(=O)OCCCC 7a_100011204317_100000210326 [1,0,0,0,0,0|2,0,0]=3 36 B19R1.16148 CCCCCSc1ccccc1C(=O)NCCCC 62a_100000210326_200000154865 [1,0,0,0,0,0|3,0,0]=4 37 B19R1.16148 CCCCCSc1ccccc1C(=O)NCCCC 62a_200000154865_100000210326 [1,0,0,0,0,0|3,0,0]=4 38 B19R1.16148 CCCCOC(=O)c1ccccc1OCCCCF 7a_100011204317_100000729493 [1,0,0,0,0,0|3,0,0]=4 39 B19R1.16148 CCCCOC(=O)c1ccccc1OCCCCO 7a_100011204317_100000210776 [1,0,0,0,0,0|3,0,0]=4 40 B19R1.16148 CCCCOC(=O)c1ccccc1OCCCOC 7a_100011204317_100000740836 [1,0,0,0,0,0|3,0,0]=4 41 B19R1.16148 CCCCOC(=O)c1ccccc1OCCOCC 7a_100011204317_100011215890 [1,0,0,0,0,0|3,0,0]=4 42 B19R1.16148 CCCCOC(=O)c1ccccc1OCCSCC 7a_100011204317_100000757381 [1,0,0,0,0,0|3,0,0]=4 43 B18R1.2538 C#CCC(=O)c1ccccc1C(=O)OCCCC 1458a_100000035225_100000184674 [2,0,0,0,0,0|0,0,2]=4 44 B18R1.2538 C=CCC(=O)c1ccccc1C(=O)OCCCC 1458a_100000035225_100000210623 [2,0,0,0,0,0|0,0,2]=4 45 B18R1.2538 CCCCOC(=O)c1ccccc1C(=O)CC#N 1458a_100000035225_100011214920 [2,0,0,0,0,0|1,0,1]=4 46 B18R1.2538 CCCCOC(=O)c1ccccc1C(=O)CCC 1458a_100000035225_100000210303 [2,0,0,0,0,0|0,0,0]=2 47 B18R1.2538 CCCCOC(=O)c1ccccc1C(=O)CCF 1458a_100000035225_100011217306 [2,0,0,0,0,0|1,0,0]=3 48 B18R1.2538 CCCCOC(=O)c1ccccc1C(=O)CCO 1458a_100000035225_100000211926 [2,0,0,0,0,0|1,0,0]=3 49 B18R1.2538 CCCCOC(=O)c1ccccc1C(=O)NCC 240690a_100015525214_100000035225 [2,0,0,0,0,0|1,0,0]=3 50 B18R1.2538 CCCCOC(=O)c1ccccc1C(=O)NCC 527a_100015525214_100000035225 [2,0,0,0,0,0|1,0,0]=3 51 B18R1.2538 CCCCOC(=O)c1ccccc1C(=O)NNC 22a_100016993582_100000035225 [2,0,0,0,0,0|2,0,0]=4 52 B18R1.23371 CCCCC=Cc1ccccc1C(=O)NCCC 271570a_100016275911_200000152266 [2,0,0,0,0,0|2,0,0]=4 53 B18R1.23371 CCCCCOc1ccccc1C(=O)OCCC 7a_100000169924_100000210326 [2,0,0,0,0,0|2,0,0]=4 54 B18R1.41200 C#CCCOc1ccccc1C(=O)OCCCC 7a_100011204317_100000688953 [2,0,0,0,0,0|0,0,2]=4 55 B18R1.41200 C/C=C/COc1ccccc1C(=O)OCCCC 7a_100011204317_100102629194 [2,0,0,0,0,0|0,0,2]=4 56 B18R1.41200 C=CCCOc1ccccc1C(=O)OCCCC 7a_100011204317_100000754431 [2,0,0,0,0,0|0,0,2]=4 57 B18R1.41200 CC#CCOc1ccccc1C(=O)OCCCC 7a_100011204317_100000748600 [2,0,0,0,0,0|0,0,2]=4 58 B18R1.41200 CC=CCOc1ccccc1C(=O)OCCCC 7a_100011204317_100000070051 [2,0,0,0,0,0|0,0,2]=4 59 B18R1.41200 CCCC=Cc1ccccc1C(=O)NCCCC 271570a_100016258520_200000154865 [2,0,0,0,0,0|1,0,1]=4 60 B18R1.41200 CCCCCC(=O)c1ccccc1OCCCC 1458a_100000215687_100000210326 [2,0,0,0,0,0|1,0,0]=3 61 B18R1.41200 CCCCCC(=O)c1ccccc1OCCOC 1458a_100000244650_100000210326 [2,0,0,0,0,0|2,0,0]=4 62 B18R1.41200 CCCCNC(=O)c1ccccc1NCCCC 2230a_100000243867_100000210211 [2,0,0,0,0,0|2,0,0]=4 63 B18R1.41200 CCCCNC(=O)c1ccccc1NCCCC 27a_100000102301_200000154865 [2,0,0,0,0,0|2,0,0]=4 64 B18R1.41200 CCCCNC(=O)c1ccccc1NCCCC 34a_100000243867_100000210210 [2,0,0,0,0,0|2,0,0]=4 65 B18R1.41200 CCCCNC(=O)c1ccccc1OCCCC 11a_100000102301_100000215687 [2,0,0,0,0,0|1,0,0]=3 66 B18R1.41200 CCCCNC(=O)c1ccccc1OCCCC 1626a_100000102301_100000215687 [2,0,0,0,0,0|1,0,0]=3 67 B18R1.41200 CCCCNC(=O)c1ccccc1OCCCC 240690a_100000102301_100000215687 [2,0,0,0,0,0|1,0,0]=3 68 B18R1.41200 CCCCNC(=O)c1ccccc1OCCCC 527a_100000102301_100000215687 [2,0,0,0,0,0|1,0,0]=3 69 B18R1.41200 CCCCNC(=O)c1ccccc1OCCOC 11a_100000102301_100000244650 [2,0,0,0,0,0|2,0,0]=4 70 B18R1.41200 CCCCNC(=O)c1ccccc1OCCOC 1626a_100000102301_100000244650 [2,0,0,0,0,0|2,0,0]=4 71 B18R1.41200 CCCCNC(=O)c1ccccc1OCCOC 240690a_100000102301_100000244650 [2,0,0,0,0,0|2,0,0]=4 72 B18R1.41200 CCCCNC(=O)c1ccccc1OCCOC 527a_100000102301_100000244650 [2,0,0,0,0,0|2,0,0]=4 73 B18R1.41200 CCCCNC(=O)c1ccccc1SCCCC 11a_100000102301_200000217314 [2,0,0,0,0,0|1,1,0]=4 74 B18R1.41200 CCCCNC(=O)c1ccccc1SCCCC 1626a_100000102301_200000217314 [2,0,0,0,0,0|1,1,0]=4 75 B18R1.41200 CCCCNC(=O)c1ccccc1SCCCC 240690a_100000102301_200000217314 [2,0,0,0,0,0|1,1,0]=4 76 B18R1.41200 CCCCNC(=O)c1ccccc1SCCCC 527a_100000102301_200000217314 [2,0,0,0,0,0|1,1,0]=4 77 B18R1.41200 CCCCNC(=O)c1ccccc1SCCCC 62a_100000210211_200000154865 [2,0,0,0,0,0|1,1,0]=4 78 B18R1.41200 CCCCNC(=O)c1ccccc1SCCCC 62a_200000154865_100000210210 [2,0,0,0,0,0|1,1,0]=4 79 B18R1.41200 CCCCOC(=O)c1ccccc1OCCC#N 7a_100011204317_100000184422 [2,0,0,0,0,0|1,0,1]=4 80 B18R1.41200 CCCCOC(=O)c1ccccc1OCCCC 7a_100011204317_100000210211 [2,0,0,0,0,0|0,0,0]=2 81 B18R1.41200 CCCCOC(=O)c1ccccc1OCCCF 7a_100011204317_100011934791 [2,0,0,0,0,0|1,0,0]=3 82 B18R1.41200 CCCCOC(=O)c1ccccc1OCCCO 7a_100011204317_100011215043 [2,0,0,0,0,0|1,0,0]=3 83 B18R1.41200 CCCCOC(=O)c1ccccc1OCCOC 7a_100011204317_100000233755 [2,0,0,0,0,0|1,0,0]=3 84 B18R1.41200 CCCCOC(=O)c1ccccc1OCCSC 7a_100011204317_100000212216 [2,0,0,0,0,0|1,0,0]=3 85 B18R1.41200 CCCCOc1ccccc1C(=O)CCCCF 1458a_100000215687_100000729493 [2,0,0,0,0,0|2,0,0]=4 86 B18R1.41200 CCCCOc1ccccc1C(=O)CCCCO 1458a_100000215687_100000210776 [2,0,0,0,0,0|2,0,0]=4 87 B18R1.41200 CCCCOc1ccccc1C(=O)CCCOC 1458a_100000215687_100000740836 [2,0,0,0,0,0|2,0,0]=4 88 B18R1.41200 CCCCOc1ccccc1C(=O)CCOCC 1458a_100000215687_100011215890 [2,0,0,0,0,0|2,0,0]=4 89 B18R1.41200 CCCCOc1ccccc1C(=O)CCSCC 1458a_100000215687_100000757381 [2,0,0,0,0,0|2,0,0]=4 90 B18R1.41200 CCCCOc1ccccc1C(=O)NCCCF 11a_100015189416_100000215687 [2,0,0,0,0,0|2,0,0]=4 91 B18R1.41200 CCCCOc1ccccc1C(=O)NCCCF 1626a_100015189416_100000215687 [2,0,0,0,0,0|2,0,0]=4 92 B18R1.41200 CCCCOc1ccccc1C(=O)NCCCF 240690a_100015189416_100000215687 [2,0,0,0,0,0|2,0,0]=4 93 B18R1.41200 CCCCOc1ccccc1C(=O)NCCCF 527a_100015189416_100000215687 [2,0,0,0,0,0|2,0,0]=4 94 B18R1.41200 CCCCOc1ccccc1C(=O)NCCCO 240690a_100000182051_100000215687 [2,0,0,0,0,0|2,0,0]=4 95 B18R1.41200 CCCCOc1ccccc1C(=O)NCCCO 527a_100000182051_100000215687 [2,0,0,0,0,0|2,0,0]=4 96 B18R1.41200 CCCCOc1ccccc1C(=O)NCCOC 1626a_100000209980_100000215687 [2,0,0,0,0,0|2,0,0]=4 97 B18R1.41200 CCCCOc1ccccc1C(=O)NCCOC 240690a_100000209980_100000215687 [2,0,0,0,0,0|2,0,0]=4 98 B18R1.41200 CCCCOc1ccccc1C(=O)NCCOC 527a_100000209980_100000215687 [2,0,0,0,0,0|2,0,0]=4 99 B18R1.41200 CCCCOc1ccccc1C(=O)NCCSC 11a_100020590264_100000215687 [2,0,0,0,0,0|2,0,0]=4 100 B18R1.41200 CCCCOc1ccccc1C(=O)NCCSC 1626a_100020590264_100000215687 [2,0,0,0,0,0|2,0,0]=4 101 B18R1.41200 CCCCOc1ccccc1C(=O)NCCSC 240690a_100020590264_100000215687 [2,0,0,0,0,0|2,0,0]=4 102 B18R1.41200 CCCCOc1ccccc1C(=O)NCCSC 527a_100020590264_100000215687 [2,0,0,0,0,0|2,0,0]=4 103 B18R1.41200 CCCCOc1ccccc1C(=O)NNCCC 22a_100000740057_100000215687 [2,0,0,0,0,0|2,0,0]=4 104 B18R1.42472 CCCCC(=O)c1ccccc1C(O)CCCC 1458a_106359897921_100000210211 [2,0,0,0,0,0|0,0,2]=4 105 B20R2.444 CCCCNC(=O)c1ccccc1C2=CCCCC2 271570a_100000062251_200000154865 [1,0,0,1,0,0|2,0,0]=4 106 B20R2.444 CCCCNC(=O)c1ccccc1C2=CCCCO2 271570a_100010177797_200000154865 [1,0,0,1,0,0|2,0,0]=4 107 B20R2.337296 CCCCOC(=O)c1ccccc1C(=O)CC2CC2 1458a_100000035225_100000742324 [1,0,0,1,0,0|0,0,0]=2 108 B20R2.337296 CCCCOC(=O)c1ccccc1C(=O)CC2CO2 1458a_100000035225_100011216344 [1,0,0,1,0,0|1,0,0]=3 109 B20R2.337296 CCCCOC(=O)c1ccccc1C(=O)CC2CS2 1458a_100000035225_100000031435 [1,0,0,1,0,0|1,0,0]=3 110 B20R2.337296 CCCCOC(=O)c1ccccc1C(=O)C[C@@H]2CO2 1458a_100000035225_100000745022 [1,0,0,1,0,0|1,0,0]=3 111 B20R2.337296 CCCCOC(=O)c1ccccc1C(=O)NC2CC2 1626a_100000212008_100000035225 [1,0,0,1,0,0|1,0,0]=3 112 B20R2.337296 CCCCOC(=O)c1ccccc1C(=O)NC2CC2 240690a_100000212008_100000035225 [1,0,0,1,0,0|1,0,0]=3 113 B20R2.337296 CCCCOC(=O)c1ccccc1C(=O)NC2CC2 527a_100000212008_100000035225 [1,0,0,1,0,0|1,0,0]=3 114 B20R2.2188694 CCCCOC(=O)c1ccccc1C(=O)C2CCC2 1458a_100000035225_100000749161 [1,0,0,1,0,0|0,0,0]=2 115 B20R2.2188694 CCCCOC(=O)c1ccccc1C(=O)C2COC2 1458a_100000035225_100000687716 [1,0,0,1,0,0|1,0,0]=3 116 B20R2.2188694 CCCCOC(=O)c1ccccc1C(=O)N2CCC2 240690a_100000754969_100000035225 [1,0,0,1,0,0|1,0,0]=3 117 B20R2.2188694 CCCCOC(=O)c1ccccc1C(=O)N2CCC2 527a_100000754969_100000035225 [1,0,0,1,0,0|1,0,0]=3 118 B20R2.2364 CCCCNC(=O)c1ccccc1C=C2CCCC2 271570a_100010378317_200000154865 [1,0,0,1,0,0|2,0,0]=4 119 B20R2.2364 CCCCOC(=O)c1ccccc1OC2CCCC2 7a_100011204317_100000179811 [1,0,0,1,0,0|2,0,0]=4 120 B20R2.6419 CCCCC=Cc1ccccc1C(=O)N2CCCC2 271570a_100016275911_200000153373 [1,0,0,1,0,0|2,0,0]=4 121 B20R2.337272 CCCCOC(=O)c1ccccc1OCCC2CC2 7a_100011204317_100000764125 [1,0,0,1,0,0|2,0,0]=4 122 B20R2.337297 CCCCOC(=O)c1ccccc1OCC2CCC2 7a_100011204317_100000763275 [1,0,0,1,0,0|2,0,0]=4