0 B16R1.859 CCC(=CC(=O)N(CC)c1ccccc1)C 11a_100000210013_100020758463 [0,0,1,0,0,0|3,0,0]=4 1 B16R1.859 CCC(=CC(=O)N(CC)c1ccccc1)C 1626a_100000210013_100020758463 [0,0,1,0,0,0|3,0,0]=4 2 B16R1.859 CCC(=CC(=O)N(CC)c1ccccc1)C 22a_100000210013_100020758463 [0,0,1,0,0,0|3,0,0]=4 3 B16R1.859 CCC(=O)CC(=O)C(CC)c1ccccc1 1458a_100000211302_100000747405 [0,0,1,0,0,0|1,0,0]=2 4 B16R1.859 CCC(=O)CC(=O)C(CO)c1ccccc1 1458a_100011218805_100000747405 [0,0,1,0,0,0|2,0,0]=3 5 B16R1.859 CCC(=O)CC(=O)N(CC)c1ccccc1 1458a_100000210414_100000183513 [0,0,1,0,0,0|2,0,0]=3 6 B16R1.859 CCC(=O)CC(=O)[C@H](OC)c1ccccc1 1458a_100000698336_100000747405 [0,0,1,0,0,0|2,0,0]=3 7 B16R1.859 CCC(=O)CN(C)C(CC)c1ccccc1 269982a_100000737544_100000747405 [0,0,1,0,0,0|3,0,0]=4 8 B16R1.859 CCC(C(=O)CC(=O)NC)c1ccccc1 1458a_100000211302_100000183359 [0,0,1,0,0,0|2,0,0]=3 9 B16R1.859 CCC(C(=O)CC(=O)OC)c1ccccc1 1458a_100000211302_100000747449 [0,0,1,0,0,0|2,0,0]=3 10 B16R1.859 CCC(C(=O)C[C@@H](C)CC)c1ccccc1 1458a_100000211302_100009816398 [0,0,1,0,0,0|2,0,1]=4 11 B16R1.859 CCC(C(=O)N[C@H](C)CF)c1ccccc1 11a_100102880703_100000211302 [0,0,1,0,0,0|2,0,1]=4 12 B16R1.859 CCC(C(=O)N[C@H](C)CF)c1ccccc1 1626a_100102880703_100000211302 [0,0,1,0,0,0|2,0,1]=4 13 B16R1.859 CCC(C(=O)N[C@H](C)CF)c1ccccc1 240690a_100102880703_100000211302 [0,0,1,0,0,0|2,0,1]=4 14 B16R1.859 CCC(C(=O)N[C@H](C)CF)c1ccccc1 527a_100102880703_100000211302 [0,0,1,0,0,0|2,0,1]=4 15 B16R1.859 CCC(C(=O)N[C@H](C)CO)c1ccccc1 240690a_100000737577_100000211302 [0,0,1,0,0,0|2,0,1]=4 16 B16R1.859 CCC(C(=O)N[C@H](C)CO)c1ccccc1 527a_100000737577_100000211302 [0,0,1,0,0,0|2,0,1]=4 17 B16R1.859 CCC(C)CC(=O)C(CC)c1ccccc1 1458a_100000211302_100000748023 [0,0,1,0,0,0|2,0,1]=4 18 B16R1.859 CCC(C)NC(=O)C(CC)c1ccccc1 11a_100000209981_100000211302 [0,0,1,0,0,0|1,0,1]=3 19 B16R1.859 CCC(C)NC(=O)C(CC)c1ccccc1 1626a_100000209981_100000211302 [0,0,1,0,0,0|1,0,1]=3 20 B16R1.859 CCC(C)NC(=O)C(CC)c1ccccc1 240690a_100000209981_100000211302 [0,0,1,0,0,0|1,0,1]=3 21 B16R1.859 CCC(C)NC(=O)C(CC)c1ccccc1 527a_100000209981_100000211302 [0,0,1,0,0,0|1,0,1]=3 22 B16R1.859 CCC(C)NC(=O)C(CO)c1ccccc1 240690a_100000209981_100011218805 [0,0,1,0,0,0|2,0,1]=4 23 B16R1.859 CCC(C)NC(=O)[C@H](OC)c1ccccc1 11a_100000209981_100000698336 [0,0,1,0,0,0|2,0,1]=4 24 B16R1.859 CCC(C)NC(=O)[C@H](OC)c1ccccc1 1626a_100000209981_100000698336 [0,0,1,0,0,0|2,0,1]=4 25 B16R1.859 CCC(C)NC(=O)[C@H](OC)c1ccccc1 240690a_100000209981_100000698336 [0,0,1,0,0,0|2,0,1]=4 26 B16R1.859 CCC(C)NC(=O)[C@H](OC)c1ccccc1 527a_100000209981_100000698336 [0,0,1,0,0,0|2,0,1]=4 27 B16R1.859 CCC(O)CC(=O)C(CC)c1ccccc1 1458a_100000211302_100011218378 [0,0,1,0,0,0|1,0,2]=4 28 B16R1.859 CCN(C(=O)CC(=O)CO)c1ccccc1 1458a_100000210174_100000183513 [0,0,1,0,0,0|3,0,0]=4 29 B16R1.859 CCN(C(=O)CC(=O)OC)c1ccccc1 22a_100000210013_100000211351 [0,0,1,0,0,0|3,0,0]=4 30 B16R1.859 CNC(=O)CC(=O)C(CO)c1ccccc1 1458a_100011218805_100000183359 [0,0,1,0,0,0|3,0,0]=4 31 B16R1.859 CNC(=O)CC(=O)[C@H](OC)c1ccccc1 1458a_100000698336_100000183359 [0,0,1,0,0,0|3,0,0]=4 32 B16R1.859 COC(=O)CC(=O)C(CO)c1ccccc1 1458a_100011218805_100000747449 [0,0,1,0,0,0|3,0,0]=4 33 B16R1.859 COC(=O)CC(=O)[C@H](OC)c1ccccc1 1458a_100000698336_100000747449 [0,0,1,0,0,0|3,0,0]=4 34 B16R1.5510 C=C(C)CC(=O)C(O)(CC)c1ccccc1 1458a_100011434905_100000748629 [0,0,1,0,0,0|3,0,0]=4 35 B16R1.5510 CCC(O)(C(=O)CC(=O)N)c1ccccc1 1458a_100011434905_100000187820 [0,0,1,0,0,0|3,0,0]=4 36 B16R1.5510 CCC(O)(C(=O)CC(=O)[O-])c1ccccc1 1458a_100011434905_100020667443 [0,0,1,0,0,0|3,0,0]=4 37 B16R1.5510 CCC(O)(C(=O)NC(C)C)c1ccccc1 240690a_100138425928_100011434905 [0,0,1,0,0,0|2,0,1]=4 38 B16R1.13646 C#CCC(=O)C(CC)(CC)c1ccccc1 1458a_100000765338_100000184674 [0,0,1,0,0,0|2,0,1]=4 39 B16R1.13646 C=CCC(=O)C(CC)(CC)c1ccccc1 1458a_100000765338_100000210623 [0,0,1,0,0,0|2,0,0]=3 40 B16R1.13646 CCC(CC)(C(=O)CC#N)c1ccccc1 1458a_100000765338_100011214920 [0,0,1,0,0,0|2,0,1]=4 41 B16R1.13646 CCC(CC)(C(=O)CCF)c1ccccc1 1458a_100000765338_100011217306 [0,0,1,0,0,0|2,0,1]=4 42 B16R1.13646 CCC(CC)(C(=O)CCO)c1ccccc1 1458a_100000765338_100000211926 [0,0,1,0,0,0|1,0,2]=4 43 B16R1.13646 CCC(CC)(C(=O)NNC)c1ccccc1 22a_100016993582_100000765338 [0,0,1,0,0,0|2,0,0]=3 44 B16R1.13646 CCCC(=O)C(CC)(CC)c1ccccc1 1458a_100000765338_100000210303 [0,0,1,0,0,0|2,0,1]=4 45 B16R1.13646 CCNC(=O)C(CC)(CC)c1ccccc1 11a_100015525214_100000765338 [0,0,1,0,0,0|1,0,1]=3 46 B16R1.13646 CCNC(=O)C(CC)(CC)c1ccccc1 240690a_100015525214_100000765338 [0,0,1,0,0,0|1,0,1]=3 47 B16R1.13646 CCNC(=O)C(CC)(CC)c1ccccc1 527a_100015525214_100000765338 [0,0,1,0,0,0|1,0,1]=3 48 B16R1.13666 C=COC(=O)CNC(CC)c1ccccc1 2230a_100000737752_100000036128 [0,0,1,0,0,0|3,0,0]=4 49 B16R1.13666 C=COC(=O)COC(CC)c1ccccc1 34a_100000698172_100000036128 [0,0,1,0,0,0|3,0,0]=4 50 B16R1.13666 CCC(NCC(=O)NCO)c1ccccc1 2230a_100000737752_100000185155 [0,0,1,0,0,0|1,0,2]=4 51 B16R1.13666 CCC(OCC(=O)NCO)c1ccccc1 34a_100000698172_100000185155 [0,0,1,0,0,0|1,0,2]=4 52 B16R1.13666 CCC(OCC(=O)NCO)c1ccccc1 7a_100000698172_100000185155 [0,0,1,0,0,0|1,0,2]=4 53 B16R1.13666 CCNC(=O)CCN(CC)c1ccccc1 2230a_100000210013_100000737597 [0,0,1,0,0,0|2,0,1]=4 54 B16R1.13666 CCNC(=O)CCN(CC)c1ccccc1 269982a_100000210013_100000737597 [0,0,1,0,0,0|2,0,1]=4 55 B16R1.13666 CCNC(=O)CNC(CC)c1ccccc1 2230a_100000737752_100000183381 [0,0,1,0,0,0|2,0,1]=4 56 B16R1.13666 CCNC(=O)COC(CC)c1ccccc1 34a_100000698172_100000183381 [0,0,1,0,0,0|2,0,1]=4 57 B16R1.13666 CCNC(=O)COC(CC)c1ccccc1 7a_100000698172_100000183381 [0,0,1,0,0,0|2,0,1]=4 58 B16R1.25992 C=CCNC(CC)(C(=O)O)c1ccccc1 269956a_100000752917_100000210623 [0,0,1,0,0,0|3,0,0]=4 59 B16R1.25992 CCC(NCC=O)(C(=O)O)c1ccccc1 269956a_100000752917_200015260668 [0,0,1,0,0,0|2,0,0]=3 60 B16R1.66737 CCC(CC)(NCC(=O)N)c1ccccc1 2230a_100020617177_100000747473 [0,0,1,0,0,0|2,0,1]=4 61 B16R1.66737 CCC(CC)(OCC(=O)N)c1ccccc1 7a_200011218014_100000187820 [0,0,1,0,0,0|2,0,1]=4 62 B15R1.950 CCC(=CC(=O)C(C)c1ccccc1)C 1458a_100020758463_100000230085 [1,0,1,0,0,0|2,0,0]=4 63 B15R1.950 CCC(=O)CC(=O)C(C)c1ccccn1 1458a_100000722050_100000747405 [1,0,1,0,0,0|2,0,0]=4 64 B15R1.950 CCC(=O)CC(=O)C(F)c1ccccc1 1458a_100000698975_100000747405 [1,0,1,0,0,0|2,0,0]=4 65 B15R1.950 CCC(=O)CC(=O)N(C)c1ccccc1 1458a_100000210414_100000183487 [1,0,1,0,0,0|2,0,0]=4 66 B15R1.950 CCC(=O)CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000747405 [1,0,1,0,0,0|1,0,0]=3 67 B15R1.950 CCC(=O)CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000747405 [1,0,1,0,0,0|2,0,0]=4 68 B15R1.950 CCC(C)NC(=O)[C@@H](C)c1ccccc1 11a_100000209981_100000751047 [1,0,1,0,0,0|1,0,1]=4 69 B15R1.950 CCC(C)NC(=O)[C@@H](C)c1ccccc1 1626a_100000209981_100000751047 [1,0,1,0,0,0|1,0,1]=4 70 B15R1.950 CCC(C)NC(=O)[C@@H](C)c1ccccc1 240690a_100000209981_100000751047 [1,0,1,0,0,0|1,0,1]=4 71 B15R1.950 CCC(C)NC(=O)[C@@H](C)c1ccccc1 527a_100000209981_100000751047 [1,0,1,0,0,0|1,0,1]=4 72 B15R1.950 CNC(=O)CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000183359 [1,0,1,0,0,0|2,0,0]=4 73 B15R1.950 COC(=O)CC(=O)C(C)c1ccccc1 1458a_100000211351_100000230085 [1,0,1,0,0,0|2,0,0]=4 74 B15R1.950 COC(=O)CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000747449 [1,0,1,0,0,0|2,0,0]=4 75 B15R1.1097 CCC(=O)COC(CC)c1ccccc1 7a_100000698172_100000747405 [1,0,1,0,0,0|2,0,0]=4 76 B15R1.1097 CCC(=O)NN=C(CC)c1ccccc1 4a_100000183195_100000210124 [1,0,1,0,0,0|1,0,1]=4 77 B15R1.1097 CCC(NCC(=O)NC)c1ccccc1 2230a_100000737752_100000183359 [1,0,1,0,0,0|1,0,1]=4 78 B15R1.1097 CCC(NCC(=O)NC)c1ccccc1 269862a_100000693194_100000210124 [1,0,1,0,0,0|1,0,1]=4 79 B15R1.1097 CCC(OCC(=O)NC)c1ccccc1 34a_100000698172_100000183359 [1,0,1,0,0,0|1,0,1]=4 80 B15R1.1097 CCC(OCC(=O)NC)c1ccccc1 7a_100000698172_100000183359 [1,0,1,0,0,0|1,0,1]=4 81 B15R1.1097 CCN(CCC(=O)NC)c1ccccc1 2230a_100000210013_100000737683 [1,0,1,0,0,0|1,0,1]=4 82 B15R1.1097 CCN(CCC(=O)NC)c1ccccc1 269982a_100000210013_100000737683 [1,0,1,0,0,0|1,0,1]=4 83 B15R1.1097 CCN(CCC(=O)NC)c1ccccc1 34a_100000210013_100012179268 [1,0,1,0,0,0|1,0,1]=4 84 B15R1.1215 C/C=C/CC(=O)C(CC)c1ccccc1 1458a_100000211302_100102629194 [1,0,1,0,0,0|1,0,1]=4 85 B15R1.1215 CC=CCC(=O)C(CC)c1ccccc1 1458a_100000211302_100000070051 [1,0,1,0,0,0|1,0,1]=4 86 B15R1.1215 CC=NNC(=O)C(CC)c1ccccc1 4a_100000189840_200000210099 [1,0,1,0,0,0|1,0,1]=4 87 B15R1.1215 CCC(C(=O)NCCF)c1ccccc1 11a_100000724931_100000211302 [1,0,1,0,0,0|1,0,1]=4 88 B15R1.1215 CCC(C(=O)NCCF)c1ccccc1 1626a_100000724931_100000211302 [1,0,1,0,0,0|1,0,1]=4 89 B15R1.1215 CCC(C(=O)NCCF)c1ccccc1 240690a_100000724931_100000211302 [1,0,1,0,0,0|1,0,1]=4 90 B15R1.1215 CCC(C(=O)NCCF)c1ccccc1 527a_100000724931_100000211302 [1,0,1,0,0,0|1,0,1]=4 91 B15R1.1215 CCC(C(=O)NCCO)c1ccccc1 240690a_100000210304_100000211302 [1,0,1,0,0,0|1,0,1]=4 92 B15R1.1215 CCC(C(=O)NCCO)c1ccccc1 527a_100000210304_100000211302 [1,0,1,0,0,0|1,0,1]=4 93 B15R1.1215 CCC=CC(=O)N(CC)c1ccccc1 11a_100000210013_100000212282 [1,0,1,0,0,0|2,0,0]=4 94 B15R1.1215 CCC=CC(=O)N(CC)c1ccccc1 1626a_100000210013_100000212282 [1,0,1,0,0,0|2,0,0]=4 95 B15R1.1215 CCC=CC(=O)N(CC)c1ccccc1 22a_100000210013_100000212282 [1,0,1,0,0,0|2,0,0]=4 96 B15R1.1215 CCCCC(=O)C(CC)c1ccccc1 1458a_100000211302_100000210211 [1,0,1,0,0,0|1,0,1]=4 97 B15R1.1215 CCCNC(=O)C(CC)c1ccccc1 11a_100020643023_100000211302 [1,0,1,0,0,0|0,0,1]=3 98 B15R1.1215 CCCNC(=O)C(CC)c1ccccc1 1626a_100020643023_100000211302 [1,0,1,0,0,0|0,0,1]=3 99 B15R1.1215 CCCNC(=O)C(CC)c1ccccc1 240690a_100020643023_100000211302 [1,0,1,0,0,0|0,0,1]=3 100 B15R1.1215 CCCNC(=O)C(CC)c1ccccc1 527a_100020643023_100000211302 [1,0,1,0,0,0|0,0,1]=3 101 B15R1.1215 CCCNC(=O)C(CO)c1ccccc1 240690a_100020643023_100011218805 [1,0,1,0,0,0|1,0,1]=4 102 B15R1.1215 CCCNC(=O)[C@H](OC)c1ccccc1 11a_100020643023_100000698336 [1,0,1,0,0,0|1,0,1]=4 103 B15R1.1215 CCCNC(=O)[C@H](OC)c1ccccc1 1626a_100020643023_100000698336 [1,0,1,0,0,0|1,0,1]=4 104 B15R1.1215 CCCNC(=O)[C@H](OC)c1ccccc1 240690a_100020643023_100000698336 [1,0,1,0,0,0|1,0,1]=4 105 B15R1.1215 CCCNC(=O)[C@H](OC)c1ccccc1 527a_100020643023_100000698336 [1,0,1,0,0,0|1,0,1]=4 106 B15R1.1215 CCNNC(=O)C(CC)c1ccccc1 22a_100000756455_100000211302 [1,0,1,0,0,0|1,0,0]=3 107 B15R1.1215 CCNNC(=O)C(CO)c1ccccc1 22a_100000756455_100011218805 [1,0,1,0,0,0|2,0,0]=4 108 B15R1.1215 CCNNC(=O)[C@H](OC)c1ccccc1 22a_100000756455_100000698336 [1,0,1,0,0,0|2,0,0]=4 109 B15R1.1350 C=C(C)CC(=O)C(CC)c1ccccc1 1458a_100000211302_100000748629 [1,0,1,0,0,0|2,0,0]=4 110 B15R1.1350 CCC(C(=O)CC(=O)N)c1ccccc1 1458a_100000211302_100000187820 [1,0,1,0,0,0|2,0,0]=4 111 B15R1.1350 CCC(C(=O)CC(=O)[O-])c1ccccc1 1458a_100000211302_100020667443 [1,0,1,0,0,0|2,0,0]=4 112 B15R1.1350 CCC(C(=O)NC(C)C)c1ccccc1 11a_100138425928_100000211302 [1,0,1,0,0,0|1,0,1]=4 113 B15R1.1350 CCC(C(=O)NC(C)C)c1ccccc1 1626a_100138425928_100000211302 [1,0,1,0,0,0|1,0,1]=4 114 B15R1.1350 CCC(C(=O)NC(C)C)c1ccccc1 240690a_100138425928_100000211302 [1,0,1,0,0,0|1,0,1]=4 115 B15R1.1350 CCC(C(=O)NC(C)C)c1ccccc1 527a_100138425928_100000211302 [1,0,1,0,0,0|1,0,1]=4 116 B15R1.1350 CCN(C(=O)CC(=O)C)c1ccccc1 1458a_100000070787_100000183513 [1,0,1,0,0,0|2,0,0]=4 117 B15R1.1350 CNC(C(=O)NC(=O)N)c1ccccc1 2230a_106832991635_100000010812 [1,0,1,0,0,0|2,0,0]=4 118 B15R1.1350 CSC(C(=O)NC(=O)N)c1ccccc1 62a_100000010812_200000210301 [1,0,1,0,0,0|2,0,0]=4 119 B15R1.1350 CSC(C(=O)NC(=O)N)c1ccccc1 62a_200000210301_100000010812 [1,0,1,0,0,0|2,0,0]=4 120 B15R1.1350 [13CH3]SC(C(=O)NC(=O)N)c1ccccc1 62a_100000010812_200025704644 [1,0,1,0,0,0|2,0,0]=4 121 B15R1.1350 [13CH3]SC(C(=O)NC(=O)N)c1ccccc1 62a_200025704644_100000010812 [1,0,1,0,0,0|2,0,0]=4 122 B15R1.9919 CCC(O)(C(=O)NNC)c1ccccc1 22a_100016993582_100011434905 [1,0,1,0,0,0|2,0,0]=4 123 B15R1.9919 CCNC(=O)C(O)(CC)c1ccccc1 240690a_100015525214_100011434905 [1,0,1,0,0,0|1,0,1]=4 124 B15R1.12173 C=C(C)CC(=O)C(C)(C)c1ccccc1 1458a_100000211857_100000748629 [1,0,1,0,0,0|2,0,0]=4 125 B15R1.12173 CC(=CC(=O)C(C)(C)c1ccccc1)C 1458a_100000211388_100000034625 [1,0,1,0,0,0|2,0,0]=4 126 B15R1.12173 CC(=CC(=O)C(C)(C)c1ccccc1)Cl 1458a_200042562850_100000034625 [1,0,1,0,0,0|2,0,0]=4 127 B15R1.12173 CC(=CC(=O)C(C)(C)c1ccccc1)I 1458a_100025716642_100000034625 [1,0,1,0,0,0|2,0,0]=4 128 B15R1.12173 CC(C)(C(=O)CC(=O)N)c1ccccc1 1458a_100000211857_100000187820 [1,0,1,0,0,0|2,0,0]=4 129 B15R1.12173 CC(C)(C(=O)CC(=O)N)c1ccccc1 1458a_100134613110_100000034625 [1,0,1,0,0,0|2,0,0]=4 130 B15R1.12173 CC(C)(C(=O)CC(=O)[O-])c1ccccc1 1458a_100000211857_100020667443 [1,0,1,0,0,0|2,0,0]=4 131 B15R1.12173 CC(C)NC(=O)C(C)(C)c1ccccc1 11a_100138425928_100000211857 [1,0,1,0,0,0|1,0,1]=4 132 B15R1.12173 CC(C)NC(=O)C(C)(C)c1ccccc1 1626a_100138425928_100000211857 [1,0,1,0,0,0|1,0,1]=4 133 B15R1.12173 CC(C)NC(=O)C(C)(C)c1ccccc1 240690a_100138425928_100000211857 [1,0,1,0,0,0|1,0,1]=4 134 B15R1.12173 CC(C)NC(=O)C(C)(C)c1ccccc1 527a_100138425928_100000211857 [1,0,1,0,0,0|1,0,1]=4 135 B15R1.13394 CCC(C)(OCC(=O)N)c1ccccc1 7a_100000748282_100000187820 [1,0,1,0,0,0|1,0,1]=4 136 B15R1.3916 CCC(CC)(NCC=O)c1ccccc1 2230a_100020617177_200015260668 [1,0,1,0,0,0|2,0,0]=4 137 B15R1.3916 CCC(CC)(OCC=O)c1ccccc1 7a_200011218014_200015260668 [1,0,1,0,0,0|2,0,0]=4 138 B15R1.4682 CCC(=O)C(CC)(CC)c1ccccc1 1458a_100000765338_100000210202 [1,0,1,0,0,0|1,0,1]=4 139 B15R1.4682 CCC(CC)(C(=O)CF)c1ccccc1 1458a_100000765338_100015361967 [1,0,1,0,0,0|1,0,1]=4 140 B15R1.4682 CCC(CC)(C(=O)NC)c1ccccc1 11a_106832991635_100000765338 [1,0,1,0,0,0|0,0,1]=3 141 B15R1.4682 CCC(CC)(C(=O)NC)c1ccccc1 240690a_100102657272_100000765338 [1,0,1,0,0,0|0,0,1]=3 142 B15R1.4682 CCC(CC)(C(=O)NC)c1ccccc1 527a_100102657272_100000765338 [1,0,1,0,0,0|0,0,1]=3 143 B17R1.866 CCC(=O)CC(=O)C(CC)c1ccc(cc1)Br 1458a_100011934198_100000747405 [0,1,1,0,0,0|1,0,0]=3 144 B17R1.866 CCC(=O)CC(=O)C(OC)c1ccc(cc1)Cl 1458a_100012350483_100000747405 [0,1,1,0,0,0|2,0,0]=4 145 B17R1.866 CCC(C(=O)CC(=O)NC)c1ccc(cc1)Br 1458a_100011934198_100000183359 [0,1,1,0,0,0|2,0,0]=4 146 B17R1.866 CCC(C(=O)CC(=O)OC)c1ccc(cc1)Br 1458a_100011934198_100000747449 [0,1,1,0,0,0|2,0,0]=4 147 B17R1.866 CCC(C)NC(=O)C(CC)c1ccc(cc1)Br 11a_100000209981_100011934198 [0,1,1,0,0,0|1,0,1]=4 148 B17R1.866 CCC(C)NC(=O)C(CC)c1ccc(cc1)Br 1626a_100000209981_100011934198 [0,1,1,0,0,0|1,0,1]=4 149 B17R1.866 CCC(C)NC(=O)C(CC)c1ccc(cc1)Br 240690a_100000209981_100011934198 [0,1,1,0,0,0|1,0,1]=4 150 B17R1.866 CCC(C)NC(=O)C(CC)c1ccc(cc1)Br 527a_100000209981_100011934198 [0,1,1,0,0,0|1,0,1]=4 151 B17R1.867 CCC(=O)CC(=O)C(OC)c1cccc(c1)Cl 1458a_100012350482_100000747405 [0,1,1,0,0,0|2,0,0]=4 152 B17R1.3105 CC(C)C(=O)CC(=O)C(CO)c1ccccc1 1458a_100011218805_100000753385 [0,1,1,0,0,0|2,0,0]=4 153 B17R1.3105 CCC(C(=O)CC(=O)C(=O)C)c1ccccc1 1458a_100000211302_100011261029 [0,1,1,0,0,0|1,0,1]=4 154 B17R1.3105 CCC(C(=O)CC(=O)C(C)C)c1ccccc1 1458a_100000211302_100000753385 [0,1,1,0,0,0|1,0,0]=3 155 B17R1.3105 CCC(C(=O)CC(=O)N(C)C)c1ccccc1 1458a_100000211302_100000185267 [0,1,1,0,0,0|2,0,0]=4 156 B17R1.3105 CCC(C(=O)NC(C)C(C)C)c1ccccc1 11a_100000211541_100000211302 [0,1,1,0,0,0|1,0,1]=4 157 B17R1.3105 CCC(C(=O)NC(C)C(C)C)c1ccccc1 1626a_100000211541_100000211302 [0,1,1,0,0,0|1,0,1]=4 158 B17R1.3105 CCC(C(=O)NC(C)C(C)C)c1ccccc1 240690a_100000211541_100000211302 [0,1,1,0,0,0|1,0,1]=4 159 B17R1.3105 CCC(C(=O)NC(C)C(C)C)c1ccccc1 527a_100000211541_100000211302 [0,1,1,0,0,0|1,0,1]=4 160 B17R1.3105 CCN(C(=O)CC(=O)C(C)C)c1ccccc1 1458a_100000210198_100000183513 [0,1,1,0,0,0|2,0,0]=4 161 B17R1.3105 CCN(C(=O)CC(=O)C(C)F)c1ccccc1 1458a_100000062450_100000183513 [0,1,1,0,0,0|2,0,0]=4 162 B17R1.3105 CCN(C(=O)CC(=O)[C@@H](C)O)c1ccccc1 1458a_100000717761_100000183513 [0,1,1,0,0,0|2,0,0]=4 163 B17R1.3105 CCN(C(=O)CC(=O)[C@H](C)O)c1ccccc1 1458a_217856618621_100000183513 [0,1,1,0,0,0|2,0,0]=4 164 B17R1.3105 CO[C@@H](C(=O)CC(=O)C(C)C)c1ccccc1 1458a_100000698336_100000753385 [0,1,1,0,0,0|2,0,0]=4 165 B17R1.4577 CCC(C(=O)CC(=O)NCO)c1ccccc1 1458a_100000211302_100000185155 [0,1,1,0,0,0|2,0,0]=4 166 B17R1.4577 CCC(C(=O)N[C@H](C)CCO)c1ccccc1 240690a_100000706166_100000211302 [0,1,1,0,0,0|1,0,1]=4 167 B17R1.4577 CCC(C(=O)N[C@H](C)CCO)c1ccccc1 527a_100000706166_100000211302 [0,1,1,0,0,0|1,0,1]=4 168 B17R1.4577 CCC(C(=O)N[C@H](C)COC)c1ccccc1 11a_100000764878_100000211302 [0,1,1,0,0,0|1,0,1]=4 169 B17R1.4577 CCC(C(=O)N[C@H](C)COC)c1ccccc1 1626a_100000764878_100000211302 [0,1,1,0,0,0|1,0,1]=4 170 B17R1.4577 CCC(C(=O)N[C@H](C)COC)c1ccccc1 240690a_100000764878_100000211302 [0,1,1,0,0,0|1,0,1]=4 171 B17R1.4577 CCC(C(=O)N[C@H](C)COC)c1ccccc1 527a_100000764878_100000211302 [0,1,1,0,0,0|1,0,1]=4 172 B17R1.4577 CCCC(=O)CC(=O)C(CC)c1ccccc1 1458a_100000211302_100000747444 [0,1,1,0,0,0|1,0,0]=3 173 B17R1.4577 CCCC(=O)CC(=O)C(CO)c1ccccc1 1458a_100011218805_100000747444 [0,1,1,0,0,0|2,0,0]=4 174 B17R1.4577 CCCC(=O)CC(=O)N(CC)c1ccccc1 1458a_100000211992_100000183513 [0,1,1,0,0,0|2,0,0]=4 175 B17R1.4577 CCCC(=O)CC(=O)[C@H](OC)c1ccccc1 1458a_100000698336_100000747444 [0,1,1,0,0,0|2,0,0]=4 176 B17R1.4577 CCCC(C)NC(=O)C(CC)c1ccccc1 11a_100000741246_100000211302 [0,1,1,0,0,0|1,0,1]=4 177 B17R1.4577 CCCC(C)NC(=O)C(CC)c1ccccc1 1626a_100000741246_100000211302 [0,1,1,0,0,0|1,0,1]=4 178 B17R1.4577 CCCC(C)NC(=O)C(CC)c1ccccc1 240690a_100000741246_100000211302 [0,1,1,0,0,0|1,0,1]=4 179 B17R1.4577 CCCC(C)NC(=O)C(CC)c1ccccc1 527a_100000741246_100000211302 [0,1,1,0,0,0|1,0,1]=4 180 B17R1.4577 CCN(C(=O)CC(=O)CCO)c1ccccc1 1458a_100011216618_100000183513 [0,1,1,0,0,0|2,0,0]=4 181 B17R1.4577 CCN(C(=O)CC(=O)COC)c1ccccc1 1458a_100000210968_100000183513 [0,1,1,0,0,0|2,0,0]=4 182 B17R1.4577 CCN(C(=O)CC(=O)CSC)c1ccccc1 1458a_100000184570_100000183513 [0,1,1,0,0,0|2,0,0]=4 183 B17R1.4577 CCNC(=O)CC(=O)C(CC)c1ccccc1 1458a_100000211302_100000183381 [0,1,1,0,0,0|1,0,0]=3 184 B17R1.4577 CCNC(=O)CC(=O)C(CO)c1ccccc1 1458a_100011218805_100000183381 [0,1,1,0,0,0|2,0,0]=4 185 B17R1.4577 CCNC(=O)CC(=O)[C@H](OC)c1ccccc1 1458a_100000698336_100000183381 [0,1,1,0,0,0|2,0,0]=4 186 B17R1.4577 CCOC(=O)CC(=O)C(CC)c1ccccc1 1458a_100000211302_100000188475 [0,1,1,0,0,0|1,0,0]=3 187 B17R1.4577 CCOC(=O)CC(=O)C(CO)c1ccccc1 1458a_100011218805_100000188475 [0,1,1,0,0,0|2,0,0]=4 188 B17R1.4577 CCOC(=O)CC(=O)N(CC)c1ccccc1 22a_100000210013_100000243816 [0,1,1,0,0,0|2,0,0]=4 189 B17R1.4577 CCOC(=O)CC(=O)[C@H](OC)c1ccccc1 1458a_100000698336_100000188475 [0,1,1,0,0,0|2,0,0]=4 190 B17R1.5650 CCC(C(=O)N[C@@H](CC)CO)c1ccccc1 240690a_100000709445_100000211302 [0,1,1,0,0,0|0,0,2]=4 191 B17R1.5650 CCC(C(=O)N[C@@H](CC)CO)c1ccccc1 527a_100000709445_100000211302 [0,1,1,0,0,0|0,0,2]=4 192 B17R1.5650 CCC(CC)NC(=O)C(CC)c1ccccc1 11a_100000199018_100000211302 [0,1,1,0,0,0|1,0,1]=4 193 B17R1.5650 CCC(CC)NC(=O)C(CC)c1ccccc1 1626a_100000199018_100000211302 [0,1,1,0,0,0|1,0,1]=4 194 B17R1.5650 CCC(CC)NC(=O)C(CC)c1ccccc1 240690a_100000199018_100000211302 [0,1,1,0,0,0|1,0,1]=4 195 B17R1.5650 CCC(CC)NC(=O)C(CC)c1ccccc1 527a_100000199018_100000211302 [0,1,1,0,0,0|1,0,1]=4 196 B17R1.6319 CCC(=O)C(C)C(=O)C(CC)c1ccccc1 1458a_100000211302_100000742827 [0,1,1,0,0,0|1,0,0]=3 197 B17R1.6319 CCC(=O)C(C)C(=O)C(CO)c1ccccc1 1458a_100011218805_100000742827 [0,1,1,0,0,0|2,0,0]=4 198 B17R1.6319 CCC(=O)C(C)C(=O)N(CC)c1ccccc1 1458a_100000210414_100000181168 [0,1,1,0,0,0|2,0,0]=4 199 B17R1.6319 CCC(=O)C(C)C(=O)[C@H](OC)c1ccccc1 1458a_100000698336_100000742827 [0,1,1,0,0,0|2,0,0]=4 200 B17R1.6319 CCC(C(=O)C(C)C(=O)NC)c1ccccc1 1458a_100000211302_100000209862 [0,1,1,0,0,0|2,0,0]=4 201 B17R1.6319 CCC(C(=O)C(C)C(=O)OC)c1ccccc1 1458a_100000211302_100000211248 [0,1,1,0,0,0|2,0,0]=4 202 B17R1.6319 CCC(C(=O)C(F)C(=O)NC)c1ccccc1 1458a_100000211302_100009813575 [0,1,1,0,0,0|2,0,0]=4 203 B17R1.6319 CCC(C(=O)N(C)C(C)CC)c1ccccc1 11a_100000741768_100000211302 [0,1,1,0,0,0|1,0,1]=4 204 B17R1.6319 CCC(C(=O)N(C)C(C)CC)c1ccccc1 1626a_100000741768_100000211302 [0,1,1,0,0,0|1,0,1]=4 205 B17R1.6319 CCC(C(=O)N(C)C(C)CC)c1ccccc1 240690a_100000741768_100000211302 [0,1,1,0,0,0|1,0,1]=4 206 B17R1.6319 CCC(C(=O)N(C)C(C)CC)c1ccccc1 527a_100000741768_100000211302 [0,1,1,0,0,0|1,0,1]=4 207 B17R1.19245 CCC(=CC(=O)C(CCCl)c1ccccc1)C 1458a_100020758463_200010132975 [0,1,1,0,0,0|2,0,0]=4 208 B17R1.19245 CCC(=O)CC(=O)N(CCO)c1ccccc1 1458a_100000210414_200000048808 [0,1,1,0,0,0|2,0,0]=4 209 B17R1.19245 COC(=O)CC(=O)C(CCCl)c1ccccc1 1458a_100000211351_200010132975 [0,1,1,0,0,0|2,0,0]=4 210 B17R1.20773 CCC(=O)CC(=O)C(CC)c1ccccc1Cl 1458a_100011667493_100000747405 [0,1,1,0,0,0|1,0,0]=3 211 B17R1.20773 CCC(=O)CC(=O)C(OC)c1ccccc1C 1458a_100012277922_100000747405 [0,1,1,0,0,0|2,0,0]=4 212 B17R1.20773 CCC(=O)CC(=O)C(OC)c1ccccc1F 1458a_100012277919_100000747405 [0,1,1,0,0,0|2,0,0]=4 213 B17R1.20773 CCC(=O)CC(=O)N(CC)c1ccccc1C 1458a_100000210414_100000239579 [0,1,1,0,0,0|2,0,0]=4 214 B17R1.20773 CCC(C(=O)CC(=O)NC)c1ccccc1Cl 1458a_100011667493_100000183359 [0,1,1,0,0,0|2,0,0]=4 215 B17R1.20773 CCC(C(=O)CC(=O)OC)c1ccccc1Cl 1458a_100011667493_100000747449 [0,1,1,0,0,0|2,0,0]=4 216 B17R1.20773 CCC(C)NC(=O)C(CC)c1ccccc1Cl 11a_100000209981_100011667493 [0,1,1,0,0,0|1,0,1]=4 217 B17R1.20773 CCC(C)NC(=O)C(CC)c1ccccc1Cl 1626a_100000209981_100011667493 [0,1,1,0,0,0|1,0,1]=4 218 B17R1.20773 CCC(C)NC(=O)C(CC)c1ccccc1Cl 240690a_100000209981_100011667493 [0,1,1,0,0,0|1,0,1]=4 219 B17R1.20773 CCC(C)NC(=O)C(CC)c1ccccc1Cl 527a_100000209981_100011667493 [0,1,1,0,0,0|1,0,1]=4 220 B17R1.21030 CCC(=O)CC(=O)C(O)(CC)c1ccccc1 1458a_100011434905_100000747405 [0,1,1,0,0,0|1,0,0]=3 221 B17R1.21030 CCC(C)NC(=O)C(O)(CC)c1ccccc1 240690a_100000209981_100011434905 [0,1,1,0,0,0|1,0,1]=4 222 B17R1.21030 CCC(O)(C(=O)CC(=O)NC)c1ccccc1 1458a_100011434905_100000183359 [0,1,1,0,0,0|2,0,0]=4 223 B17R1.21030 CCC(O)(C(=O)CC(=O)OC)c1ccccc1 1458a_100011434905_100000747449 [0,1,1,0,0,0|2,0,0]=4 224 B17R1.21033 CCC(=O)CC(=O)C(c1ccccc1)C(C)C 1458a_100000764467_100000747405 [0,1,1,0,0,0|1,0,0]=3 225 B17R1.21033 CCC(=O)CC(=O)C(c1ccccc1)N(C)C 1458a_100000743987_100000747405 [0,1,1,0,0,0|2,0,0]=4 226 B17R1.21033 CCC(=O)CC(=O)N(c1ccccc1)C(C)C 1458a_100000210414_100000009621 [0,1,1,0,0,0|2,0,0]=4 227 B17R1.21033 CCC(C)NC(=O)C(c1ccccc1)C(C)C 11a_100000209981_100000764467 [0,1,1,0,0,0|1,0,1]=4 228 B17R1.21033 CCC(C)NC(=O)C(c1ccccc1)C(C)C 1626a_100000209981_100000764467 [0,1,1,0,0,0|1,0,1]=4 229 B17R1.21033 CCC(C)NC(=O)C(c1ccccc1)C(C)C 240690a_100000209981_100000764467 [0,1,1,0,0,0|1,0,1]=4 230 B17R1.21033 CCC(C)NC(=O)C(c1ccccc1)C(C)C 527a_100000209981_100000764467 [0,1,1,0,0,0|1,0,1]=4 231 B17R1.21033 CNC(=O)CC(=O)C(c1ccccc1)C(C)C 1458a_100000764467_100000183359 [0,1,1,0,0,0|2,0,0]=4 232 B17R1.21033 COC(=O)CC(=O)C(c1ccccc1)C(C)C 1458a_100000764467_100000747449 [0,1,1,0,0,0|2,0,0]=4 233 B17R1.183790 CCC(C(=O)NC(C)(C)CC)c1ccccc1 11a_100000211385_100000211302 [0,1,1,0,0,0|1,0,1]=4 234 B17R1.183790 CCC(C(=O)NC(C)(C)CC)c1ccccc1 1626a_100000211385_100000211302 [0,1,1,0,0,0|1,0,1]=4 235 B17R1.183790 CCC(C(=O)NC(C)(C)CC)c1ccccc1 240690a_100000211385_100000211302 [0,1,1,0,0,0|1,0,1]=4 236 B17R1.183790 CCC(C(=O)NC(C)(C)CC)c1ccccc1 527a_100000211385_100000211302 [0,1,1,0,0,0|1,0,1]=4 237 B17R1.183790 CCC(C(=O)NS(=O)(=O)CC)c1ccccc1 2740a_100000171174_100000211302 [0,1,1,0,0,0|1,0,0]=3 238 B17R1.183790 CCS(=O)(=O)NC(=O)C(CO)c1ccccc1 2740a_100000171174_100011218805 [0,1,1,0,0,0|2,0,0]=4 239 B17R1.183790 CCS(=O)(=O)NC(=O)[C@H](OC)c1ccccc1 2740a_100000171174_100000698336 [0,1,1,0,0,0|2,0,0]=4 240 B17R1.6454 CCC(O)(C(=O)C(C)C(=O)C)c1ccccc1 1458a_100011434905_100000179758 [0,1,1,0,0,0|2,0,0]=4 241 B17R1.19385 C=C(C)CC(=O)C(CC)(CC)c1ccccc1 1458a_100000765338_100000748629 [0,1,1,0,0,0|2,0,0]=4 242 B17R1.19385 CCC(CC)(C(=O)CC(=O)N)c1ccccc1 1458a_100000765338_100000187820 [0,1,1,0,0,0|2,0,0]=4 243 B17R1.19385 CCC(CC)(C(=O)CC(=O)[O-])c1ccccc1 1458a_100000765338_100020667443 [0,1,1,0,0,0|2,0,0]=4 244 B17R1.19385 CCC(CC)(C(=O)NC(C)C)c1ccccc1 11a_100138425928_100000765338 [0,1,1,0,0,0|1,0,1]=4 245 B17R1.19385 CCC(CC)(C(=O)NC(C)C)c1ccccc1 240690a_100138425928_100000765338 [0,1,1,0,0,0|1,0,1]=4 246 B17R1.19385 CCC(CC)(C(=O)NC(C)C)c1ccccc1 527a_100138425928_100000765338 [0,1,1,0,0,0|1,0,1]=4 247 B17R1.24970 CCN(C)C(=O)C(CC)(CC)c1ccccc1 11a_100000225621_100000765338 [0,1,1,0,0,0|1,0,1]=4 248 B17R1.24970 CCN(C)C(=O)C(CC)(CC)c1ccccc1 240690a_100000225621_100000765338 [0,1,1,0,0,0|1,0,1]=4 249 B17R1.24970 CCN(C)C(=O)C(CC)(CC)c1ccccc1 527a_100000225621_100000765338 [0,1,1,0,0,0|1,0,1]=4 250 B17R1.26133 C#CCNC(=O)C(CC)(CC)c1ccccc1 11a_100000212058_100000765338 [0,1,1,0,0,0|1,0,1]=4 251 B17R1.26133 C#CCNC(=O)C(CC)(CC)c1ccccc1 240690a_100000212058_100000765338 [0,1,1,0,0,0|1,0,1]=4 252 B17R1.26133 C#CCNC(=O)C(CC)(CC)c1ccccc1 527a_100000212058_100000765338 [0,1,1,0,0,0|1,0,1]=4 253 B17R1.26133 C/C=C/CC(=O)C(CC)(CC)c1ccccc1 1458a_100000765338_100102629194 [0,1,1,0,0,0|2,0,0]=4 254 B17R1.26133 C=CCCC(=O)C(CC)(CC)c1ccccc1 1458a_100000765338_100000754431 [0,1,1,0,0,0|2,0,0]=4 255 B17R1.26133 C=CCNC(=O)C(CC)(CC)c1ccccc1 240690a_100020586998_100000765338 [0,1,1,0,0,0|1,0,0]=3 256 B17R1.26133 C=CCNC(=O)C(CC)(CC)c1ccccc1 527a_100020586998_100000765338 [0,1,1,0,0,0|1,0,0]=3 257 B17R1.26133 CC=CCC(=O)C(CC)(CC)c1ccccc1 1458a_100000765338_100000070051 [0,1,1,0,0,0|2,0,0]=4 258 B17R1.26133 CCC(CC)(C(=O)NCC#N)c1ccccc1 527a_100000734998_100000765338 [0,1,1,0,0,0|1,0,1]=4 259 B17R1.26133 CCC(CC)(C(=O)NCCF)c1ccccc1 11a_100000724931_100000765338 [0,1,1,0,0,0|1,0,1]=4 260 B17R1.26133 CCC(CC)(C(=O)NCCF)c1ccccc1 240690a_100000724931_100000765338 [0,1,1,0,0,0|1,0,1]=4 261 B17R1.26133 CCC(CC)(C(=O)NCCF)c1ccccc1 527a_100000724931_100000765338 [0,1,1,0,0,0|1,0,1]=4 262 B17R1.26133 CCC(CC)(C(=O)NCCO)c1ccccc1 240690a_100000210304_100000765338 [0,1,1,0,0,0|0,0,2]=4 263 B17R1.26133 CCC(CC)(C(=O)NCCO)c1ccccc1 527a_100000210304_100000765338 [0,1,1,0,0,0|0,0,2]=4 264 B17R1.26133 CCCNC(=O)C(CC)(CC)c1ccccc1 11a_100020643023_100000765338 [0,1,1,0,0,0|1,0,1]=4 265 B17R1.26133 CCCNC(=O)C(CC)(CC)c1ccccc1 240690a_100020643023_100000765338 [0,1,1,0,0,0|1,0,1]=4 266 B17R1.26133 CCCNC(=O)C(CC)(CC)c1ccccc1 527a_100020643023_100000765338 [0,1,1,0,0,0|1,0,1]=4 267 B17R1.26133 CCNNC(=O)C(CC)(CC)c1ccccc1 22a_100000756455_100000765338 [0,1,1,0,0,0|1,0,1]=4 268 B17R1.2538 CC(=O)NC(=O)COC(CBr)c1ccccc1 7a_100000185958_100000183797 [0,1,1,0,0,0|2,0,0]=4 269 B17R1.2538 CC(=O)NC(=O)CO[C@H](CCl)c1ccccc1 7a_100011933945_100000183797 [0,1,1,0,0,0|2,0,0]=4 270 B17R1.2538 CCC(CNC(=O)CC(=O)C)c1ccccc1 1458a_100000070787_100000017708 [0,1,1,0,0,0|2,0,0]=4 271 B17R1.2538 CCC(NCC(=O)NC(=O)N)c1ccccc1 2230a_100000737752_100000182717 [0,1,1,0,0,0|1,0,0]=3 272 B17R1.2538 CCC(NCC(=O)NC(=O)N)c1ccccn1 2230a_100015186561_100000182717 [0,1,1,0,0,0|2,0,0]=4 273 B17R1.2538 CCC(NCC(=O)NC(=O)N)c1cccnc1 2230a_100000246009_100000182717 [0,1,1,0,0,0|2,0,0]=4 274 B17R1.2538 CCC(OCC(=O)NC(=O)C)c1ccccc1 7a_100000698172_100000183797 [0,1,1,0,0,0|1,0,0]=3 275 B17R1.2538 CCC(OCC(=O)NC(=O)N)c1ccccc1 7a_100000698172_100000182717 [0,1,1,0,0,0|1,0,0]=3 276 B17R1.2538 CCN(CCC(=O)NC(=O)N)c1ccccc1 2230a_100000210013_100000237605 [0,1,1,0,0,0|1,0,0]=3 277 B17R1.2538 CCN(CCC(=O)NC(=O)N)c1ccccc1 269982a_100000210013_100000237605 [0,1,1,0,0,0|1,0,0]=3 278 B17R1.2538 NC(=O)NC(=O)CN[C@H](CO)c1ccccc1 2230a_100000751927_100000182717 [0,1,1,0,0,0|2,0,0]=4 279 B17R1.2538 NC(=O)NC(=O)COC(CBr)c1ccccc1 7a_100000185958_100000182717 [0,1,1,0,0,0|2,0,0]=4 280 B17R1.2538 NC(=O)NC(=O)CO[C@H](CCl)c1ccccc1 7a_100011933945_100000182717 [0,1,1,0,0,0|2,0,0]=4 281 B17R1.9312 C=CCNC(=O)CCN(CC)c1ccccc1 2230a_100000210013_100011222895 [0,1,1,0,0,0|2,0,0]=4 282 B17R1.9312 C=CCNC(=O)CCN(CC)c1ccccc1 269982a_100000210013_100011222895 [0,1,1,0,0,0|2,0,0]=4 283 B17R1.9312 C=CCNC(=O)CNC(CC)c1ccccc1 2230a_100000737752_100000183597 [0,1,1,0,0,0|2,0,0]=4 284 B17R1.9312 C=CCNC(=O)COC(CC)c1ccccc1 7a_100000698172_100000183597 [0,1,1,0,0,0|2,0,0]=4 285 B17R1.3763 C=CCCNC(CC)(C(=O)O)c1ccccc1 269956a_100000752917_100000754431 [0,1,1,0,0,0|2,0,0]=4 286 B17R1.180916 CCC(NCC(=O)N)(C(=O)O)c1ccccc1 269956a_100000752917_100000187820 [0,1,1,0,0,0|2,0,0]=4 287 B17R1.180916 CCC(NCC(=O)[O-])(C(=O)O)c1ccccc1 269956a_100000752917_100020667443 [0,1,1,0,0,0|2,0,0]=4 288 B19R2.55920 CCC1(CCC(=O)NC1=O)c2ccc(cc2)NC 2230a_100000744325_200000210301 [0,2,0,0,0,0|0,0,0]=2 289 B19R2.55920 CCC1(CCC(=O)NC1=O)c2ccc(cc2)NC 34a_100000744325_200000210301 [0,2,0,0,0,0|0,0,0]=2 290 B19R2.55920 CCC1(CCC(=O)NC1=O)c2ccc(cc2)N[13CH3] 2230a_100000744325_200025704644 [0,2,0,0,0,0|0,0,0]=2 291 B19R2.55920 CCC1(CCC(=O)NC1=O)c2ccc(cc2)N[13CH3] 34a_100000744325_200025704644 [0,2,0,0,0,0|0,0,0]=2 292 B17R2.693 CCC(=O)CC(=O)C1CCc2c1cccc2 1458a_100000750891_100000747405 [0,0,1,1,0,0|1,0,0]=3 293 B17R2.693 CCC(=O)CC(=O)N1CCc2c1cccc2 1458a_100000210414_100000183021 [0,0,1,1,0,0|2,0,0]=4 294 B17R2.693 CCC(C)NC(=O)C1CCc2c1cccc2 11a_100000209981_100000750891 [0,0,1,1,0,0|1,0,1]=4 295 B17R2.693 CCC(C)NC(=O)C1CCc2c1cccc2 1626a_100000209981_100000750891 [0,0,1,1,0,0|1,0,1]=4 296 B17R2.693 CCC(C)NC(=O)C1CCc2c1cccc2 240690a_100000209981_100000750891 [0,0,1,1,0,0|1,0,1]=4 297 B17R2.693 CCC(C)NC(=O)C1CCc2c1cccc2 527a_100000209981_100000750891 [0,0,1,1,0,0|1,0,1]=4 298 B17R2.693 CNC(=O)CC(=O)C1CCc2c1cccc2 1458a_100000750891_100000183359 [0,0,1,1,0,0|2,0,0]=4 299 B17R2.693 COC(=O)CC(=O)C1CCc2c1cccc2 1458a_100000750891_100000747449 [0,0,1,1,0,0|2,0,0]=4 300 B17R2.2450 CCC(=O)N[C@@H]1CCC[C@@H]1c2ccccc2 1626a_100009885948_100000210414 [0,0,1,1,0,0|1,0,1]=4 301 B17R2.2450 CCC(=O)N[C@@H]1CCC[C@@H]1c2ccccc2 240690a_100009885948_100000210414 [0,0,1,1,0,0|1,0,1]=4 302 B17R2.2450 CCC(=O)N[C@@H]1CCC[C@@H]1c2ccccc2 527a_100009885948_100000210414 [0,0,1,1,0,0|1,0,1]=4 303 B17R2.6135 CCC(=O)CC(=O)C1(CC1)c2ccccc2 1458a_100000211650_100000747405 [0,0,1,1,0,0|1,0,0]=3 304 B17R2.6135 CCC(=O)CC(=O)C1(CC1)c2ccccn2 1458a_106256046498_100000747405 [0,0,1,1,0,0|2,0,0]=4 305 B17R2.6135 CCC(=O)CC(=O)C1(CC1)c2cccnc2 1458a_100000717079_100000747405 [0,0,1,1,0,0|2,0,0]=4 306 B17R2.6135 CCC(C)NC(=O)C1(CC1)c2ccccc2 11a_100000209981_100000211650 [0,0,1,1,0,0|1,0,1]=4 307 B17R2.6135 CCC(C)NC(=O)C1(CC1)c2ccccc2 1626a_100000209981_100000211650 [0,0,1,1,0,0|1,0,1]=4 308 B17R2.6135 CCC(C)NC(=O)C1(CC1)c2ccccc2 240690a_100000209981_100000211650 [0,0,1,1,0,0|1,0,1]=4 309 B17R2.6135 CCC(C)NC(=O)C1(CC1)c2ccccc2 527a_100000209981_100000211650 [0,0,1,1,0,0|1,0,1]=4 310 B17R2.6135 CNC(=O)CC(=O)C1(CC1)c2ccccc2 1458a_100000211650_100000183359 [0,0,1,1,0,0|2,0,0]=4 311 B17R2.6135 COC(=O)CC(=O)C1(CC1)c2ccccc2 1458a_100000211650_100000747449 [0,0,1,1,0,0|2,0,0]=4 312 B17R2.7860 CCC(C(=O)C1CCC1=O)c2ccccc2 1458a_100000211302_100009892977 [0,0,1,1,0,0|1,0,0]=3 313 B17R2.7860 CCC(C(=O)N1CCC1C)c2ccccc2 11a_100000755817_100000211302 [0,0,1,1,0,0|1,0,1]=4 314 B17R2.7860 CCC(C(=O)N1CCC1C)c2ccccc2 240690a_100000755817_100000211302 [0,0,1,1,0,0|1,0,1]=4 315 B17R2.7860 CCC(C(=O)N1CCC1C)c2ccccc2 527a_100000755817_100000211302 [0,0,1,1,0,0|1,0,1]=4 316 B17R2.7860 CO[C@@H](C(=O)C1CCC1=O)c2ccccc2 1458a_100000698336_100009892977 [0,0,1,1,0,0|2,0,0]=4 317 B17R2.7860 O=C1CCC1C(=O)C(CO)c2ccccc2 1458a_100011218805_100009892977 [0,0,1,1,0,0|2,0,0]=4 318 B17R2.7862 CCC(C(=O)NC1(CC1)C)c2ccccc2 11a_100000757604_100000211302 [0,0,1,1,0,0|1,0,1]=4 319 B17R2.7862 CCC(C(=O)NC1(CC1)C)c2ccccc2 1626a_100000757604_100000211302 [0,0,1,1,0,0|1,0,1]=4 320 B17R2.7862 CCC(C(=O)NC1(CC1)C)c2ccccc2 240690a_100000757604_100000211302 [0,0,1,1,0,0|1,0,1]=4 321 B17R2.7862 CCC(C(=O)NC1(CC1)C)c2ccccc2 527a_100000757604_100000211302 [0,0,1,1,0,0|1,0,1]=4 322 B17R2.58067 CCC(=O)C1CCN(C1=O)c2ccccc2 1458a_100000210414_100000754165 [0,0,1,1,0,0|2,0,0]=4 323 B17R2.58067 CCC(=O)C1CCN(C1=O)c2ccccc2 1458a_100011210742_100000210202 [0,0,1,1,0,0|2,0,0]=4 324 B17R2.455525 CCC(C(=O)NC1CCC1)c2ccccc2 11a_100000749019_100000211302 [0,0,1,1,0,0|1,0,1]=4 325 B17R2.455525 CCC(C(=O)NC1CCC1)c2ccccc2 1626a_100000749019_100000211302 [0,0,1,1,0,0|1,0,1]=4 326 B17R2.455525 CCC(C(=O)NC1CCC1)c2ccccc2 240690a_100000749019_100000211302 [0,0,1,1,0,0|1,0,1]=4 327 B17R2.455525 CCC(C(=O)NC1CCC1)c2ccccc2 527a_100000749019_100000211302 [0,0,1,1,0,0|1,0,1]=4 328 B17R2.147154 C=C(C)CC(=O)C1(CCC1)c2ccccc2 1458a_100000215631_100000748629 [0,0,1,1,0,0|2,0,0]=4 329 B17R2.147154 CC(C)NC(=O)C1(CCC1)c2ccccc2 11a_100138425928_100000215631 [0,0,1,1,0,0|1,0,1]=4 330 B17R2.147154 CC(C)NC(=O)C1(CCC1)c2ccccc2 1626a_100138425928_100000215631 [0,0,1,1,0,0|1,0,1]=4 331 B17R2.147154 CC(C)NC(=O)C1(CCC1)c2ccccc2 240690a_100138425928_100000215631 [0,0,1,1,0,0|1,0,1]=4 332 B17R2.147154 CC(C)NC(=O)C1(CCC1)c2ccccc2 527a_100138425928_100000215631 [0,0,1,1,0,0|1,0,1]=4 333 B17R2.147154 NC(=O)CC(=O)C1(CCC1)c2ccccc2 1458a_100000215631_100000187820 [0,0,1,1,0,0|2,0,0]=4 334 B17R2.147154 O=C([O-])CC(=O)C1(CCC1)c2ccccc2 1458a_100000215631_100020667443 [0,0,1,1,0,0|2,0,0]=4 335 B17R2.49437 C=CCC(=O)C1(CCCC1)c2ccccc2 1458a_100000211583_100000210623 [0,0,1,1,0,0|2,0,0]=4 336 B17R2.49437 CCNC(=O)C1(CCCC1)c2ccccc2 11a_100015525214_100000211583 [0,0,1,1,0,0|1,0,1]=4 337 B17R2.49437 CCNC(=O)C1(CCCC1)c2ccccc2 240690a_100015525214_100000211583 [0,0,1,1,0,0|1,0,1]=4 338 B17R2.49437 CNNC(=O)C1(CCCC1)c2ccccc2 22a_100016993582_100000211583 [0,0,1,1,0,0|2,0,0]=4 339 B15R1.1329 CCC(=O)N(C)C(CC)c1ccccc1 11a_100000737544_100000210414 [0,0,1,0,1,0|2,0,0]=4 340 B15R1.1329 CCC(=O)N(C)C(CC)c1ccccc1 1626a_100000737544_100000210414 [0,0,1,0,1,0|2,0,0]=4 341 B15R1.1329 CCC(=O)N(C)C(CC)c1ccccc1 240690a_100000737544_100000210414 [0,0,1,0,1,0|2,0,0]=4 342 B15R1.1329 CCC(=O)N(C)C(CC)c1ccccc1 527a_100000737544_100000210414 [0,0,1,0,1,0|2,0,0]=4 343 B15R1.1329 CCC(C(=O)N(C)CC)c1ccccc1 11a_100000225621_100000211302 [0,0,1,0,1,0|2,0,0]=4 344 B15R1.1329 CCC(C(=O)N(C)CC)c1ccccc1 1626a_100000225621_100000211302 [0,0,1,0,1,0|2,0,0]=4 345 B15R1.1329 CCC(C(=O)N(C)CC)c1ccccc1 240690a_100000225621_100000211302 [0,0,1,0,1,0|2,0,0]=4 346 B15R1.1329 CCC(C(=O)N(C)CC)c1ccccc1 527a_100000225621_100000211302 [0,0,1,0,1,0|2,0,0]=4 347 B15R1.1329 CCC(C)C(=O)C(CC)c1ccccc1 1458a_100000211302_100000758301 [0,0,1,0,1,0|1,0,1]=4 348 B15R1.1329 CCN(C(=O)C(=O)NC)c1ccccc1 1626a_100000210013_100011218921 [0,0,1,0,1,0|2,0,0]=4 349 B15R1.1329 CCN(C(=O)C(=O)NC)c1ccccc1 22a_100000210013_100011218921 [0,0,1,0,1,0|2,0,0]=4 350 B15R1.1329 CCN(C(=O)C(=O)OC)c1ccccc1 11a_100000210013_100000024059 [0,0,1,0,1,0|2,0,0]=4 351 B15R1.1329 CCN(C(=O)C(=O)OC)c1ccccc1 1626a_100000210013_100000024059 [0,0,1,0,1,0|2,0,0]=4 352 B17R1.9046 C=CC(=O)NNC(=O)C(CC)c1ccccc1 22a_100000189840_100000185746 [0,0,1,0,0,1|0,0,2]=4 353 B17R1.9046 CCC(=O)NCC(=O)N(CC)c1ccccc1 11a_100000210013_100000194589 [0,0,1,0,0,1|1,0,0]=3 354 B17R1.9046 CCC(=O)NCC(=O)N(CC)c1ccccc1 1626a_100000210013_100000194589 [0,0,1,0,0,1|1,0,0]=3 355 B17R1.9046 CCC(=O)NCC(=O)N(CC)c1ccccc1 22a_100000210013_100000194589 [0,0,1,0,0,1|1,0,0]=3 356 B17R1.9046 CCC(=O)NNC(=O)C(CC)c1ccccc1 22a_100000183195_100000211302 [0,0,1,0,0,1|0,0,0]=2 357 B17R1.9046 CCC(=O)NNC(=O)C(CC)c1ccccc1 22a_100000189840_100000210414 [0,0,1,0,0,1|0,0,0]=2 358 B17R1.9046 CCC(=O)NNC(=O)C(CO)c1ccccc1 22a_100000183195_100011218805 [0,0,1,0,0,1|1,0,0]=3 359 B17R1.9046 CCC(=O)NNC(=O)[C@H](OC)c1ccccc1 22a_100000183195_100000698336 [0,0,1,0,0,1|1,0,0]=3 360 B17R1.9046 CCC(C(=O)NCC(=O)NC)c1ccccc1 11a_100000693194_100000211302 [0,0,1,0,0,1|1,0,0]=3 361 B17R1.9046 CCC(C(=O)NCC(=O)NC)c1ccccc1 240690a_100000693194_100000211302 [0,0,1,0,0,1|1,0,0]=3 362 B17R1.9046 CCC(C(=O)NCC(=O)NC)c1ccccc1 527a_100000693194_100000211302 [0,0,1,0,0,1|1,0,0]=3 363 B17R1.9046 CCC(C(=O)NCC(=O)OC)c1ccccc1 188690a_100000185156_100000211302 [0,0,1,0,0,1|1,0,0]=3 364 B17R1.9046 CCC(C(=O)NN=C(C)CF)c1ccccc1 4a_100000189840_100000039719 [0,0,1,0,0,1|2,0,0]=4 365 B17R1.9046 CCC(C(=O)NN=C(C)CO)c1ccccc1 4a_100000189840_100000211253 [0,0,1,0,0,1|2,0,0]=4 366 B17R1.9046 CCC(C(=O)NNC(=O)CO)c1ccccc1 22a_100000189840_100000210174 [0,0,1,0,0,1|1,0,0]=3 367 B17R1.9046 CCC(C(=O)NNC(=O)NC)c1ccccc1 273464a_100102657272_100000189840 [0,0,1,0,0,1|1,0,0]=3 368 B17R1.9046 CCC(C(=O)NNC(=O)NC)c1ccccc1 512a_106832991638_100000189840 [0,0,1,0,0,1|1,0,0]=3 369 B17R1.9046 CCC(C)CNC(=O)C(CC)c1ccccc1 11a_100020588543_100000211302 [0,0,1,0,0,1|1,0,1]=4 370 B17R1.9046 CCC(C)CNC(=O)C(CC)c1ccccc1 1626a_100020588543_100000211302 [0,0,1,0,0,1|1,0,1]=4 371 B17R1.9046 CCC(C)CNC(=O)C(CC)c1ccccc1 240690a_100020588543_100000211302 [0,0,1,0,0,1|1,0,1]=4 372 B17R1.9046 CCC(C)CNC(=O)C(CC)c1ccccc1 527a_100020588543_100000211302 [0,0,1,0,0,1|1,0,1]=4 373 B17R1.9046 CCC(C)NNC(=O)C(CC)c1ccccc1 22a_100000718999_100000211302 [0,0,1,0,0,1|1,0,1]=4 374 B17R1.9046 CCC(O)CNC(=O)C(CC)c1ccccc1 11a_100011218483_100000211302 [0,0,1,0,0,1|0,0,2]=4 375 B17R1.9046 CCC(O)CNC(=O)C(CC)c1ccccc1 240690a_100011218483_100000211302 [0,0,1,0,0,1|0,0,2]=4 376 B17R1.9046 CCC(O)CNC(=O)C(CC)c1ccccc1 527a_100011218483_100000211302 [0,0,1,0,0,1|0,0,2]=4 377 B17R1.9046 CCN(C(=O)CNC(=O)OC)c1ccccc1 11a_100000210013_100000215747 [0,0,1,0,0,1|2,0,0]=4 378 B17R1.9046 CCN(C(=O)CNC(=O)OC)c1ccccc1 1626a_100000210013_100000215747 [0,0,1,0,0,1|2,0,0]=4 379 B17R1.9046 CCN(C(=O)CNC(=O)OC)c1ccccc1 22a_100000210013_100000215747 [0,0,1,0,0,1|2,0,0]=4 380 B17R1.9046 CNC(=O)CNC(=O)C(CO)c1ccccc1 240690a_100000693194_100011218805 [0,0,1,0,0,1|2,0,0]=4 381 B17R1.9046 CNC(=O)CNC(=O)[C@H](OC)c1ccccc1 11a_100000693194_100000698336 [0,0,1,0,0,1|2,0,0]=4 382 B17R1.9046 CNC(=O)CNC(=O)[C@H](OC)c1ccccc1 240690a_100000693194_100000698336 [0,0,1,0,0,1|2,0,0]=4 383 B17R1.9046 CNC(=O)CNC(=O)[C@H](OC)c1ccccc1 527a_100000693194_100000698336 [0,0,1,0,0,1|2,0,0]=4 384 B17R1.9046 COC(=O)CNC(=O)C(CO)c1ccccc1 188690a_100000185156_100011218805 [0,0,1,0,0,1|2,0,0]=4 385 B17R1.9046 COC(=O)CNC(=O)[C@H](OC)c1ccccc1 188690a_100000185156_100000698336 [0,0,1,0,0,1|2,0,0]=4 386 B17R1.24760 CCC(=CC(=O)NC(CC)c1ccccc1)C 11a_100000737752_100020758463 [0,0,1,0,0,1|2,0,0]=4 387 B17R1.24760 CCC(=CC(=O)NC(CC)c1ccccc1)C 1626a_100000737752_100020758463 [0,0,1,0,0,1|2,0,0]=4 388 B17R1.24760 CCC(=CC(=O)NC(CC)c1ccccc1)C 240690a_100000737752_100020758463 [0,0,1,0,0,1|2,0,0]=4 389 B17R1.24760 CCC(=O)CC(=O)CC(CO)c1ccccc1 1458a_106726389045_100000747405 [0,0,1,0,0,1|2,0,0]=4 390 B17R1.24760 CCC(=O)CC(=O)N[C@H](CO)c1ccccc1 1458a_100000210414_200013032810 [0,0,1,0,0,1|2,0,0]=4 391 B17R1.24760 CCC(C)NC(=O)NC(CC)c1ccccc1 2708a_100000209981_100000737752 [0,0,1,0,0,1|1,0,1]=4 392 B17R1.24760 CCC(C)NC(=O)NC(CC)c1ccccc1 2708a_100000737752_100000209981 [0,0,1,0,0,1|1,0,1]=4 393 B17R1.24760 CCC(C)NC(=O)NC(CC)c1ccccc1 273464a_100000209981_100000737752 [0,0,1,0,0,1|1,0,1]=4 394 B17R1.24760 CCC(C)NC(=O)NC(CC)c1ccccc1 273464a_100000737752_100000209981 [0,0,1,0,0,1|1,0,1]=4 395 B17R1.24760 CCC(C)NC(=O)NC(CC)c1ccccc1 512a_100000209981_100000737752 [0,0,1,0,0,1|1,0,1]=4 396 B17R1.24760 CCC(C)NC(=O)NC(CC)c1ccccc1 512a_100000737752_100000209981 [0,0,1,0,0,1|1,0,1]=4 397 B17R1.24760 CCC(NC(=O)CC(=O)OC)c1ccccc1 240690a_100000737752_100000211351 [0,0,1,0,0,1|2,0,0]=4 398 B17R1.24760 CCN(CC(=O)NC(=O)OC)c1ccccc1 269982a_100000210013_100000010850 [0,0,1,0,0,1|2,0,0]=4 399 B17R1.25019 CCC(=O)CC(=O)C(CC)Oc1ccccc1 1458a_100000211556_100000747405 [0,0,1,0,0,1|1,0,0]=3 400 B17R1.25019 CCC(=O)CC(=O)C(CC)Sc1ccccc1 1458a_100000230495_100000747405 [0,0,1,0,0,1|1,0,0]=3 401 B17R1.25019 CCC(=O)CC(=O)N(CC)Cc1ccccc1 1458a_100000210414_100000183411 [0,0,1,0,0,1|2,0,0]=4 402 B17R1.25019 CCC(C)NC(=O)C(CC)Oc1ccccc1 11a_100000209981_100000211556 [0,0,1,0,0,1|1,0,1]=4 403 B17R1.25019 CCC(C)NC(=O)C(CC)Oc1ccccc1 1626a_100000209981_100000211556 [0,0,1,0,0,1|1,0,1]=4 404 B17R1.25019 CCC(C)NC(=O)C(CC)Oc1ccccc1 240690a_100000209981_100000211556 [0,0,1,0,0,1|1,0,1]=4 405 B17R1.25019 CCC(C)NC(=O)C(CC)Oc1ccccc1 527a_100000209981_100000211556 [0,0,1,0,0,1|1,0,1]=4 406 B17R1.25019 CCC(C)NC(=O)C(CC)Sc1ccccc1 11a_100000209981_100000230495 [0,0,1,0,0,1|1,0,1]=4 407 B17R1.25019 CCC(C)NC(=O)C(CC)Sc1ccccc1 1626a_100000209981_100000230495 [0,0,1,0,0,1|1,0,1]=4 408 B17R1.25019 CCC(C)NC(=O)C(CC)Sc1ccccc1 240690a_100000209981_100000230495 [0,0,1,0,0,1|1,0,1]=4 409 B17R1.25019 CCC(C)NC(=O)C(CC)Sc1ccccc1 527a_100000209981_100000230495 [0,0,1,0,0,1|1,0,1]=4 410 B17R1.25019 CCC(Oc1ccccc1)C(=O)CC(=O)NC 1458a_100000211556_100000183359 [0,0,1,0,0,1|2,0,0]=4 411 B17R1.25019 CCC(Oc1ccccc1)C(=O)CC(=O)OC 1458a_100000211556_100000747449 [0,0,1,0,0,1|2,0,0]=4 412 B17R1.25019 CCC(Sc1ccccc1)C(=O)CC(=O)NC 1458a_100000230495_100000183359 [0,0,1,0,0,1|2,0,0]=4 413 B17R1.25019 CCC(Sc1ccccc1)C(=O)CC(=O)OC 1458a_100000230495_100000747449 [0,0,1,0,0,1|2,0,0]=4 414 B17R1.6453 C=C(C)CNC(=O)C(O)(CC)c1ccccc1 240690a_100000765925_100011434905 [0,0,1,0,0,1|2,0,0]=4 415 B17R1.6453 CCC(O)(C(=O)NCC(=O)N)c1ccccc1 240690a_100000711301_100011434905 [0,0,1,0,0,1|2,0,0]=4 416 B17R1.6453 CCC(O)(C(=O)NNC(=O)C)c1ccccc1 22a_100000189765_100011434905 [0,0,1,0,0,1|1,0,0]=3 417 B17R1.5383 C=CCC(=O)NC(CC)(CC)c1ccccc1 11a_100020617177_100000210193 [0,0,1,0,0,1|2,0,0]=4 418 B17R1.5383 C=CCC(=O)NC(CC)(CC)c1ccccc1 1626a_100020617177_100000210193 [0,0,1,0,0,1|2,0,0]=4 419 B17R1.5383 C=CCC(=O)NC(CC)(CC)c1ccccc1 240690a_100020617177_100000210193 [0,0,1,0,0,1|2,0,0]=4 420 B17R1.5383 C=CCC(=O)NC(CC)(CC)c1ccccc1 527a_100020617177_100000210193 [0,0,1,0,0,1|2,0,0]=4 421 B17R1.5383 CC=CC(=O)NC(CC)(CC)c1ccccc1 11a_100020617177_100000210699 [0,0,1,0,0,1|2,0,0]=4 422 B17R1.5383 CC=CC(=O)NC(CC)(CC)c1ccccc1 1626a_100020617177_100000210699 [0,0,1,0,0,1|2,0,0]=4 423 B17R1.5383 CC=CC(=O)NC(CC)(CC)c1ccccc1 240690a_100020617177_100000210699 [0,0,1,0,0,1|2,0,0]=4 424 B17R1.5383 CCC(CC)(NC(=O)C=CBr)c1ccccc1 1626a_100020617177_100016273825 [0,0,1,0,0,1|2,0,0]=4 425 B17R1.5383 CCC(CC)(NC(=O)C=CBr)c1ccccc1 240690a_100020617177_100016273825 [0,0,1,0,0,1|2,0,0]=4 426 B17R1.5383 CCC(CC)(NC(=O)C=CCl)c1ccccc1 11a_100020617177_200016279998 [0,0,1,0,0,1|2,0,0]=4 427 B17R1.5383 CCC(CC)(NC(=O)C=CCl)c1ccccc1 1626a_100020617177_200016279998 [0,0,1,0,0,1|2,0,0]=4 428 B17R1.5383 CCC(CC)(NC(=O)C=CCl)c1ccccc1 240690a_100020617177_200016279998 [0,0,1,0,0,1|2,0,0]=4 429 B17R1.5383 CCC(CC)(NC(=O)C=CI)c1ccccc1 1626a_100020617177_100016256311 [0,0,1,0,0,1|2,0,0]=4 430 B17R1.5383 CCC(CC)(NC(=O)NNC)c1ccccc1 273464a_100020617177_100016993582 [0,0,1,0,0,1|2,0,0]=4 431 B17R1.5383 CCC(CC)(NC(=O)NNC)c1ccccc1 512a_100016993582_100020617177 [0,0,1,0,0,1|2,0,0]=4 432 B17R1.5383 CCC(CC)(NC(=O)NNC)c1ccccc1 512a_100020617177_100016993582 [0,0,1,0,0,1|2,0,0]=4 433 B17R1.5383 CCNC(=O)NC(CC)(CC)c1ccccc1 2708a_100015525214_100020617177 [0,0,1,0,0,1|1,0,1]=4 434 B17R1.5383 CCNC(=O)NC(CC)(CC)c1ccccc1 273464a_100015525214_100020617177 [0,0,1,0,0,1|1,0,1]=4 435 B17R1.5383 CCNC(=O)NC(CC)(CC)c1ccccc1 273464a_100020617177_100015525214 [0,0,1,0,0,1|1,0,1]=4 436 B17R1.5383 CCNC(=O)NC(CC)(CC)c1ccccc1 512a_100015525214_100020617177 [0,0,1,0,0,1|1,0,1]=4 437 B17R1.5383 CCNC(=O)NC(CC)(CC)c1ccccc1 512a_100020617177_100015525214 [0,0,1,0,0,1|1,0,1]=4 438 B17R1.929 C=COC(=O)COCC(CC)c1ccccc1 34a_100000752371_100000036128 [0,0,1,0,0,1|2,0,0]=4 439 B17R1.929 CCC(COCC(=O)NCO)c1ccccc1 34a_100000752371_100000185155 [0,0,1,0,0,1|0,0,2]=4 440 B17R1.929 CCC(COCC(=O)NCO)c1ccccc1 7a_100000752371_100000185155 [0,0,1,0,0,1|0,0,2]=4 441 B17R1.929 CCNC(=O)CCNC(CC)c1ccccc1 2230a_100000737752_100000737597 [0,0,1,0,0,1|1,0,1]=4 442 B17R1.929 CCNC(=O)CCNC(CC)c1ccccc1 269862a_100025743525_100000210124 [0,0,1,0,0,1|1,0,1]=4 443 B17R1.929 CCNC(=O)CCOC(CC)c1ccccc1 7a_100000698172_100000737597 [0,0,1,0,0,1|1,0,1]=4 444 B17R1.929 CCNC(=O)CNCC(CC)c1ccccc1 270004a_100016988866_100000753018 [0,0,1,0,0,1|1,0,1]=4 445 B17R1.929 CCNC(=O)COCC(CC)c1ccccc1 34a_100000752371_100000183381 [0,0,1,0,0,1|1,0,1]=4 446 B17R1.929 CCNC(=O)COCC(CC)c1ccccc1 7a_100000752371_100000183381 [0,0,1,0,0,1|1,0,1]=4 447 B17R1.119758 CCC(CC)(NCCC(=O)N)c1ccccc1 2230a_100020617177_100000744528 [0,0,1,0,0,1|1,0,1]=4 448 B17R1.119758 CCC(CC)(OCCC(=O)N)c1ccccc1 7a_200011218014_100000744528 [0,0,1,0,0,1|1,0,1]=4