0 B19R2.156441 C=C(C)COc1ccc2cc([nH]c2c1)C(=O)OC 34a_100000101677_100000748629 [0,0,0,0,0,0|2,0,2]=4 1 B19R2.156441 C=C(C)CSc1ccc2[nH]c(cc2c1)C(=O)OC 62a_100000748629_100009814476 [0,0,0,0,0,0|0,1,2]=3 2 B19R2.156441 C=C(C)CSc1cnc2[nH]c(cc2c1)C(=O)OC 62a_100000748629_100010113459 [0,0,0,0,0,0|1,1,2]=4 3 B19R2.156441 C=C(F)CSc1ccc2[nH]c(cc2c1)C(=O)OC 62a_100000042424_100009814476 [0,0,0,0,0,0|1,1,2]=4 4 B19R2.156441 CC(C)C=Cc1ccc2[nH]c(cc2c1)C(=O)NN 271570a_100016257149_100009814497 [0,0,0,0,0,0|3,0,1]=4 5 B19R2.156441 CC(C)CSc1ccc2[nH]c(cc2c1)C(=O)NN 62a_100000210624_100009814497 [0,0,0,0,0,0|2,1,0]=3 6 B19R2.156441 CC(O)CSc1ccc2[nH]c(cc2c1)C(=O)NN 62a_100011218427_100009814497 [0,0,0,0,0,0|3,1,0]=4 7 B19R2.156441 COC(=O)c1cc2cc(ccc2[nH]1)C=CC(C)C 271570a_100016257149_100009814476 [0,0,0,0,0,0|1,0,1]=2 8 B19R2.156441 COC(=O)c1cc2cc(ccc2[nH]1)C=CC(C)O 271570a_200011019289_100009814476 [0,0,0,0,0,0|2,0,1]=3 9 B19R2.156441 COC(=O)c1cc2cc(ccc2[nH]1)SCC(=O)N 62a_100000747473_100009814476 [0,0,0,0,0,0|2,1,1]=4 10 B19R2.156441 COC(=O)c1cc2cc(ccc2[nH]1)SCC(=O)[O-] 62a_100020667443_100009814476 [0,0,0,0,0,0|2,1,1]=4 11 B19R2.156441 COC(=O)c1cc2cc(ccc2[nH]1)SCC(C)C 62a_100000210624_100009814476 [0,0,0,0,0,0|0,1,0]=1 12 B19R2.156441 COC(=O)c1cc2cc(ccc2[nH]1)SCC(C)O 62a_100011218427_100009814476 [0,0,0,0,0,0|1,1,0]=2 13 B19R2.156441 COC(=O)c1cc2cc(ccc2[nH]1)SCC(F)F 62a_100011934356_100009814476 [0,0,0,0,0,0|2,1,0]=3 14 B19R2.156441 COC(=O)c1cc2cc(ccc2[nH]1)SC[C@@H](C)O 62a_100009817552_100009814476 [0,0,0,0,0,0|1,1,0]=2 15 B19R2.156441 COC(=O)c1cc2cc(ccc2s1)C=CC(C)C 271570a_100016257149_100009812836 [0,0,0,0,0,0|2,0,1]=3 16 B19R2.156441 COC(=O)c1cc2cc(ccc2s1)C=CC(C)O 271570a_200011019289_100009812836 [0,0,0,0,0,0|3,0,1]=4 17 B19R2.156441 COC(=O)c1cc2cc(cnc2[nH]1)C=CC(C)C 271570a_100016257149_100010113459 [0,0,0,0,0,0|2,0,1]=3 18 B19R2.156441 COC(=O)c1cc2cc(cnc2[nH]1)C=CC(C)O 271570a_200011019289_100010113459 [0,0,0,0,0,0|3,0,1]=4 19 B19R2.156441 COC(=O)c1cc2cc(cnc2[nH]1)SCC(C)C 62a_100000210624_100010113459 [0,0,0,0,0,0|1,1,0]=2 20 B19R2.156441 COC(=O)c1cc2cc(cnc2[nH]1)SCC(C)O 62a_100011218427_100010113459 [0,0,0,0,0,0|2,1,0]=3 21 B19R2.156441 COC(=O)c1cc2cc(cnc2[nH]1)SCC(F)F 62a_100011934356_100010113459 [0,0,0,0,0,0|3,1,0]=4 22 B19R2.156441 COC(=O)c1cc2cc(cnc2[nH]1)SC[C@@H](C)O 62a_100009817552_100010113459 [0,0,0,0,0,0|2,1,0]=3 23 B19R2.156441 COC(=O)c1cc2ccc(cc2[nH]1)C=CC(C)C 271570a_100016257149_100000246269 [0,0,0,0,0,0|3,0,1]=4 24 B19R2.156441 COC(=O)c1cc2ccc(cc2[nH]1)OCC(C)C 34a_100000101677_100000210624 [0,0,0,0,0,0|2,0,0]=2 25 B19R2.156441 COC(=O)c1cc2ccc(cc2[nH]1)OCC(C)O 34a_100000101677_100011218427 [0,0,0,0,0,0|3,0,0]=3 26 B19R2.156441 COC(=O)c1cc2ccc(cc2[nH]1)OCC(F)F 34a_100000101677_100011934356 [0,0,0,0,0,0|4,0,0]=4 27 B19R2.156441 COC(=O)c1cc2ccc(cc2[nH]1)OC[C@@H](C)O 34a_100000101677_100009817552 [0,0,0,0,0,0|3,0,0]=3 28 B19R2.156441 COC(=O)c1cc2ccc(cc2[nH]1)SCC(C)C 62a_100000210624_100000246269 [0,0,0,0,0,0|2,1,0]=3 29 B19R2.156441 COC(=O)c1cc2ccc(cc2[nH]1)SCC(C)O 62a_100011218427_100000246269 [0,0,0,0,0,0|3,1,0]=4 30 B19R2.156441 COC(=O)c1cc2ccc(cc2[nH]1)SC[C@@H](C)O 62a_100009817552_100000246269 [0,0,0,0,0,0|3,1,0]=4 31 B19R2.156441 COC(=O)c1cc2ccc(cc2o1)C=CC(C)C 271570a_100016257149_100010365216 [0,0,0,0,0,0|3,0,1]=4 32 B19R2.156441 COC(=O)c1cc2ccc(cc2o1)SCC(C)C 62a_100000210624_100010365216 [0,0,0,0,0,0|2,1,0]=3 33 B19R2.156441 COC(=O)c1cc2ccc(cc2o1)SCC(C)O 62a_100011218427_100010365216 [0,0,0,0,0,0|3,1,0]=4 34 B19R2.156441 COC(=O)c1cc2ccc(cc2o1)SC[C@@H](C)O 62a_100009817552_100010365216 [0,0,0,0,0,0|3,1,0]=4 35 B19R2.156441 COC(=O)c1cc2ccc(cc2s1)C=CC(C)C 271570a_100016257149_100010178015 [0,0,0,0,0,0|3,0,1]=4 36 B19R2.156441 COC(=O)c1cc2ccc(cc2s1)SCC(C)C 62a_100010178015_100000210760 [0,0,0,0,0,0|2,1,0]=3 37 B19R2.156441 COC(=O)c1cc2ccc(cc2s1)SCC(C)O 62a_100010178015_100011218427 [0,0,0,0,0,0|3,1,0]=4 38 B19R2.156441 COC(=O)c1cc2ccc(cc2s1)SC[C@@H](C)O 62a_100010178015_100009817552 [0,0,0,0,0,0|3,1,0]=4 39 B19R2.156441 COC(=O)c1cc2ccc(nc2[nH]1)SCC(C)C 62a_100000210624_100000070261 [0,0,0,0,0,0|3,1,0]=4 40 B19R2.156441 COC(=O)c1cc2nc(ccn2n1)NCC(C)C 27a_100000210953_200010366147 [0,0,0,0,0,0|3,0,1]=4 41 B19R2.156441 COC(=O)c1cn2cc(ccc2n1)C=CC(C)C 271570a_100016257149_100010000526 [0,0,0,0,0,0|2,0,2]=4 42 B19R2.156441 COC(=O)c1cn2cc(ccc2n1)SCC(C)C 62a_100000210624_100010000526 [0,0,0,0,0,0|1,1,1]=3 43 B19R2.156441 COC(=O)c1cn2cc(ccc2n1)SCC(C)C 62a_100010000526_100000210760 [0,0,0,0,0,0|1,1,1]=3 44 B19R2.156441 COC(=O)c1cn2cc(ccc2n1)SCC(C)O 62a_100010000526_100011218427 [0,0,0,0,0,0|2,1,1]=4 45 B19R2.156441 COC(=O)c1cn2cc(ccc2n1)SCC(C)O 62a_100011218427_100010000526 [0,0,0,0,0,0|2,1,1]=4 46 B19R2.156441 COC(=O)c1cn2cc(ccc2n1)SC[C@@H](C)O 62a_100009817552_100010000526 [0,0,0,0,0,0|2,1,1]=4 47 B19R2.156441 COC(=O)c1cn2cc(ccc2n1)SC[C@@H](C)O 62a_100010000526_100009817552 [0,0,0,0,0,0|2,1,1]=4 48 B19R2.156441 COC(=O)c1nc2ccc(cc2[nH]1)C=CC(C)C 271570a_100016257149_100012351599 [0,0,0,0,0,0|2,0,2]=4 49 B19R2.156441 COC(=O)c1nc2ccc(cc2o1)C=CC(C)C 271570a_100016257149_100010209328 [0,0,0,0,0,0|2,0,2]=4 50 B19R2.156441 COC(=O)c1nc2ccc(cc2o1)SCC(C)C 62a_100000210624_100010209328 [0,0,0,0,0,0|1,1,1]=3 51 B19R2.156441 COC(=O)c1nc2ccc(cc2o1)SCC(C)O 62a_100011218427_100010209328 [0,0,0,0,0,0|2,1,1]=4 52 B19R2.156441 COC(=O)c1nc2ccc(cc2o1)SC[C@@H](C)O 62a_100009817552_100010209328 [0,0,0,0,0,0|2,1,1]=4 53 B19R2.156441 COC(=O)c1nc2ccc(cc2s1)C=CC(C)C 271570a_100016257149_200010167800 [0,0,0,0,0,0|2,0,2]=4 54 B19R2.156441 COC(=O)c1nc2ccc(cc2s1)SCC(C)C 62a_200010167800_100000210760 [0,0,0,0,0,0|1,1,1]=3 55 B19R2.156441 COC(=O)c1nc2ccc(cc2s1)SCC(C)O 62a_200010167800_100011218427 [0,0,0,0,0,0|2,1,1]=4 56 B19R2.156441 COC(=O)c1nc2ccc(cc2s1)SC[C@@H](C)O 62a_200010167800_100009817552 [0,0,0,0,0,0|2,1,1]=4 57 B19R2.156441 COC(=O)c1nc2ccc(cn2n1)SCC(C)C 62a_100010063687_100000210760 [0,0,0,0,0,0|2,1,1]=4 58 B19R2.156441 C[C@@H](O)CSc1ccc2[nH]c(cc2c1)C(=O)NN 62a_100009817552_100009814497 [0,0,0,0,0,0|3,1,0]=4 59 B18R2.99275 C#CCSc1ccc2[nH]c(cc2c1)C(=O)OC 62a_100000038162_100009814476 [1,0,0,0,0,0|0,1,2]=4 60 B18R2.99275 C=CCSc1ccc2[nH]c(cc2c1)C(=O)OC 62a_100000210623_100009814476 [1,0,0,0,0,0|0,1,2]=4 61 B18R2.99275 CCCCc1ccc2[nH]c(cc2c1)C(=O)NN 271570a_100020621405_100009814497 [1,0,0,0,0,0|3,0,0]=4 62 B18R2.99275 CCCCc1ccc2[nH]c(cc2c1)C(=O)OC 271570a_100020621405_100009814476 [1,0,0,0,0,0|1,0,0]=2 63 B18R2.99275 CCCCc1ccc2cc([nH]c2c1)C(=O)OC 271570a_100020621405_100000246269 [1,0,0,0,0,0|3,0,0]=4 64 B18R2.99275 CCCCc1ccc2cc(oc2c1)C(=O)OC 271570a_100020621405_100010365216 [1,0,0,0,0,0|3,0,0]=4 65 B18R2.99275 CCCCc1ccc2cc(sc2c1)C(=O)OC 271570a_100020621405_100010178015 [1,0,0,0,0,0|3,0,0]=4 66 B18R2.99275 CCCCc1ccc2nc([nH]c2c1)C(=O)OC 271570a_100020621405_100012351599 [1,0,0,0,0,0|2,0,1]=4 67 B18R2.99275 CCCCc1ccc2nc(cn2c1)C(=O)OC 271570a_100020621405_100010000526 [1,0,0,0,0,0|2,0,1]=4 68 B18R2.99275 CCCCc1ccc2nc(oc2c1)C(=O)OC 271570a_100020621405_100010209328 [1,0,0,0,0,0|2,0,1]=4 69 B18R2.99275 CCCCc1ccc2nc(sc2c1)C(=O)OC 271570a_100020621405_200010167800 [1,0,0,0,0,0|2,0,1]=4 70 B18R2.99275 CCCCc1ccc2sc(cc2c1)C(=O)OC 271570a_100020621405_100009812836 [1,0,0,0,0,0|2,0,0]=3 71 B18R2.99275 CCCCc1cnc2[nH]c(cc2c1)C(=O)OC 271570a_100020621405_100010113459 [1,0,0,0,0,0|2,0,0]=3 72 B18R2.99275 CCCOc1ccc2cc([nH]c2c1)C(=O)OC 34a_100000101677_100000210303 [1,0,0,0,0,0|2,0,0]=3 73 B18R2.99275 CCCSc1ccc2[nH]c(cc2c1)C(=O)NN 62a_100000210303_100009814497 [1,0,0,0,0,0|2,1,0]=4 74 B18R2.99275 CCCSc1ccc2[nH]c(cc2c1)C(=O)OC 62a_100000210303_100009814476 [1,0,0,0,0,0|0,1,0]=2 75 B18R2.99275 CCCSc1ccc2cc([nH]c2c1)C(=O)OC 62a_100000210303_100000246269 [1,0,0,0,0,0|2,1,0]=4 76 B18R2.99275 CCCSc1ccc2cc(oc2c1)C(=O)OC 62a_100000210303_100010365216 [1,0,0,0,0,0|2,1,0]=4 77 B18R2.99275 CCCSc1ccc2cc(sc2c1)C(=O)OC 62a_100010178015_100000210303 [1,0,0,0,0,0|2,1,0]=4 78 B18R2.99275 CCCSc1ccc2nc(cn2c1)C(=O)OC 62a_100000210303_100010000526 [1,0,0,0,0,0|1,1,1]=4 79 B18R2.99275 CCCSc1ccc2nc(cn2c1)C(=O)OC 62a_100010000526_100000210303 [1,0,0,0,0,0|1,1,1]=4 80 B18R2.99275 CCCSc1ccc2nc(oc2c1)C(=O)OC 62a_100000210303_100010209328 [1,0,0,0,0,0|1,1,1]=4 81 B18R2.99275 CCCSc1ccc2nc(sc2c1)C(=O)OC 62a_200010167800_100000210303 [1,0,0,0,0,0|1,1,1]=4 82 B18R2.99275 CCCSc1cnc2[nH]c(cc2c1)C(=O)OC 62a_100000210303_100010113459 [1,0,0,0,0,0|1,1,0]=3 83 B18R2.99275 COC(=O)c1cc2cc(ccc2[nH]1)SCC#N 62a_100011215382_100009814476 [1,0,0,0,0,0|1,1,1]=4 84 B18R2.99275 COC(=O)c1cc2cc(ccc2[nH]1)SCC=O 62a_200015260668_100009814476 [1,0,0,0,0,0|1,1,1]=4 85 B18R2.99275 COC(=O)c1cc2cc(ccc2[nH]1)SCCF 62a_100011217306_100009814476 [1,0,0,0,0,0|1,1,0]=3 86 B18R2.99275 COC(=O)c1cc2cc(ccc2[nH]1)SCCO 62a_100000211926_100009814476 [1,0,0,0,0,0|1,1,0]=3 87 B18R2.99275 COC(=O)c1cc2cc(ccc2[nH]1)SCSC 62a_100011218213_100009814476 [1,0,0,0,0,0|1,1,0]=3 88 B18R2.99275 COC(=O)c1cc2cc(cnc2[nH]1)SCCF 62a_100011217306_100010113459 [1,0,0,0,0,0|2,1,0]=4 89 B18R2.99275 COC(=O)c1cc2cc(cnc2[nH]1)SCCO 62a_100000211926_100010113459 [1,0,0,0,0,0|2,1,0]=4 90 B18R2.99275 COC(=O)c1cc2cc(cnc2[nH]1)SCSC 62a_100011218213_100010113459 [1,0,0,0,0,0|2,1,0]=4 91 B18R2.99275 COC(=O)c1cc2ccc(cc2[nH]1)OCCF 34a_100000101677_100011217306 [1,0,0,0,0,0|3,0,0]=4 92 B18R2.99275 COC(=O)c1cc2ccc(cc2[nH]1)OCCO 34a_100000101677_100000211926 [1,0,0,0,0,0|3,0,0]=4 93 B18R2.99275 COC(=O)c1cc2ccc(cc2[nH]1)OCSC 34a_100000101677_100011218213 [1,0,0,0,0,0|3,0,0]=4 94 B18R2.99275 COCSc1ccc2[nH]c(cc2c1)C(=O)OC 62a_100000766300_100009814476 [1,0,0,0,0,0|1,1,0]=3 95 B18R2.99275 COCSc1cnc2[nH]c(cc2c1)C(=O)OC 62a_100000766300_100010113459 [1,0,0,0,0,0|2,1,0]=4 96 B18R2.289725 CC(=O)c1cc2cc(ccc2o1)C=CC(C)C 271570a_100016257149_100000181247 [1,0,0,0,0,0|2,0,1]=4 97 B18R2.289725 CC(=O)c1cc2cc(ccc2o1)SCC(C)C 62a_100000210624_100000181247 [1,0,0,0,0,0|1,1,0]=3 98 B18R2.289725 CC(=O)c1cc2cc(ccc2o1)SCC(C)O 62a_100011218427_100000181247 [1,0,0,0,0,0|2,1,0]=4 99 B18R2.289725 CC(=O)c1cc2cc(ccc2o1)SC[C@@H](C)O 62a_100009817552_100000181247 [1,0,0,0,0,0|2,1,0]=4 100 B18R2.289725 CC(C)C=Cc1ccc2[nH]c(cc2c1)C(=O)N 271570a_100016257149_100009814496 [1,0,0,0,0,0|2,0,1]=4 101 B18R2.289725 CC(C)CSc1ccc2[nH]c(cc2c1)C(=O)N 62a_100000210624_100009814496 [1,0,0,0,0,0|1,1,0]=3 102 B18R2.289725 CC(C)CSc1ccc2oc(cc2c1)C(=O)N 62a_100000210624_100000185017 [1,0,0,0,0,0|2,1,0]=4 103 B18R2.289725 CC(O)CSc1ccc2[nH]c(cc2c1)C(=O)N 62a_100011218427_100009814496 [1,0,0,0,0,0|2,1,0]=4 104 B18R2.289725 C[C@@H](O)CSc1ccc2[nH]c(cc2c1)C(=O)N 62a_100009817552_100009814496 [1,0,0,0,0,0|2,1,0]=4 105 B20R2.208661 C=C(C)COc1ccc2[nH]c(cc2c1)C(=O)OCC 7a_100000042727_100000748629 [0,1,0,0,0,0|0,0,2]=3 106 B20R2.208661 C=C(C)CSc1ccc2[nH]c(cc2c1)C(=O)OCC 62a_100000748629_100009814477 [0,1,0,0,0,0|0,1,2]=4 107 B20R2.208661 C=C(F)COc1ccc2[nH]c(cc2c1)C(=O)OCC 7a_100000042727_100000042424 [0,1,0,0,0,0|1,0,2]=4 108 B20R2.208661 CCOC(=O)c1cc2cc(ccc2[nH]1)C=CC(C)C 271570a_100016257149_100009814477 [0,1,0,0,0,0|1,0,1]=3 109 B20R2.208661 CCOC(=O)c1cc2cc(ccc2[nH]1)C=CC(C)O 271570a_200011019289_100009814477 [0,1,0,0,0,0|2,0,1]=4 110 B20R2.208661 CCOC(=O)c1cc2cc(ccc2[nH]1)OCC(=O)N 7a_100000042727_100000187820 [0,1,0,0,0,0|2,0,1]=4 111 B20R2.208661 CCOC(=O)c1cc2cc(ccc2[nH]1)OCC(C)C 7a_100000042727_100000210760 [0,1,0,0,0,0|0,0,0]=1 112 B20R2.208661 CCOC(=O)c1cc2cc(ccc2[nH]1)OCC(C)O 7a_100000042727_100011218427 [0,1,0,0,0,0|1,0,0]=2 113 B20R2.208661 CCOC(=O)c1cc2cc(ccc2[nH]1)OCC(F)F 7a_100000042727_100011934356 [0,1,0,0,0,0|2,0,0]=3 114 B20R2.208661 CCOC(=O)c1cc2cc(ccc2[nH]1)OC[C@@H](C)O 7a_100000042727_100009817552 [0,1,0,0,0,0|1,0,0]=2 115 B20R2.208661 CCOC(=O)c1cc2cc(ccc2[nH]1)SCC(C)C 62a_100000210624_100009814477 [0,1,0,0,0,0|0,1,0]=2 116 B20R2.208661 CCOC(=O)c1cc2cc(ccc2[nH]1)SCC(C)O 62a_100011218427_100009814477 [0,1,0,0,0,0|1,1,0]=3 117 B20R2.208661 CCOC(=O)c1cc2cc(ccc2[nH]1)SCC(F)F 62a_100011934356_100009814477 [0,1,0,0,0,0|2,1,0]=4 118 B20R2.208661 CCOC(=O)c1cc2cc(ccc2[nH]1)SC[C@@H](C)O 62a_100009817552_100009814477 [0,1,0,0,0,0|1,1,0]=3 119 B20R2.208661 CCOC(=O)c1cc2cc(ccc2o1)C=CC(C)C 271570a_100016257149_100009814044 [0,1,0,0,0,0|2,0,1]=4 120 B20R2.208661 CCOC(=O)c1cc2cc(ccc2o1)SCC(C)C 62a_100000210624_100009814044 [0,1,0,0,0,0|1,1,0]=3 121 B20R2.208661 CCOC(=O)c1cc2cc(ccc2o1)SCC(C)O 62a_100011218427_100009814044 [0,1,0,0,0,0|2,1,0]=4 122 B20R2.208661 CCOC(=O)c1cc2cc(ccc2o1)SC[C@@H](C)O 62a_100009817552_100009814044 [0,1,0,0,0,0|2,1,0]=4 123 B20R2.208661 CCOC(=O)c1cc2cc(ccc2s1)C=CC(C)C 271570a_100016257149_100010161204 [0,1,0,0,0,0|2,0,1]=4 124 B20R2.208661 CCOC(=O)c1cc2cc(ncc2[nH]1)C=CC(C)C 271570a_100016257149_100010255194 [0,1,0,0,0,0|2,0,1]=4 125 B20R2.208661 CCOC(=O)c1cc2cc(ncc2[nH]1)SCC(C)C 62a_100000210624_100010212348 [0,1,0,0,0,0|1,1,0]=3 126 B20R2.208661 CCOC(=O)c1cc2cc(ncc2[nH]1)SCC(C)O 62a_100011218427_100010212348 [0,1,0,0,0,0|2,1,0]=4 127 B20R2.208661 CCOC(=O)c1cc2cc(ncc2[nH]1)SC[C@@H](C)O 62a_100009817552_100010212348 [0,1,0,0,0,0|2,1,0]=4 128 B20R2.208661 CCOC(=O)c1cc2ccc(cc2[nH]1)SCC(C)C 62a_100000210624_100000747939 [0,1,0,0,0,0|2,1,0]=4 129 B20R2.208661 CCOC(=O)c1cc2ccc(cc2o1)OCC(C)C 7a_200010074505_100000210760 [0,1,0,0,0,0|2,0,0]=3 130 B20R2.208661 CCOC(=O)c1cc2ccc(cc2o1)OCC(C)O 7a_200010074505_100011218427 [0,1,0,0,0,0|3,0,0]=4 131 B20R2.208661 CCOC(=O)c1cc2ccc(cc2o1)OC[C@@H](C)O 7a_200010074505_100009817552 [0,1,0,0,0,0|3,0,0]=4 132 B20R2.208661 CCOC(=O)c1cc2ccc(cc2o1)SCC(C)C 62a_100000210624_100010203644 [0,1,0,0,0,0|2,1,0]=4 133 B20R2.208661 CCOC(=O)c1cc2ccc(cn2c1)SCC(C)C 62a_100000210624_100010091069 [0,1,0,0,0,0|2,1,0]=4 134 B20R2.208661 CCOC(=O)c1cn2cc(ccc2n1)SCC(C)C 62a_100000210624_100000179305 [0,1,0,0,0,0|1,1,1]=4 135 B20R2.208661 CCOC(=O)c1nc2cc(ccc2[nH]1)C=CC(C)C 271570a_100016257149_100011850276 [0,1,0,0,0,0|2,0,1]=4 136 B20R2.248334 COC(=O)c1cc2ccc(cc2n1C)SCC(C)C 62a_100010177567_100000210760 [0,1,0,0,0,0|2,1,0]=4 137 B20R2.248334 COC(=O)c1sc2ccc(cc2c1N)C=CC(C)C 271570a_100016257149_100010179907 [0,1,0,0,0,0|2,0,1]=4 138 B20R2.248340 CC(C)C[C@H](N)c1ccc2[nH]c(cc2c1)C(=O)NN 271570a_100015190218_100009814497 [0,1,0,0,0,0|3,0,0]=4 139 B20R2.248340 COC(=O)c1cc2cc(ccc2[nH]1)[C@@H](N)CC(C)C 271570a_100015190218_100009814476 [0,1,0,0,0,0|1,0,0]=2 140 B20R2.248340 COC(=O)c1cc2cc(ccc2s1)[C@@H](N)CC(C)C 271570a_100015190218_100009812836 [0,1,0,0,0,0|2,0,0]=3 141 B20R2.248340 COC(=O)c1cc2cc(cnc2[nH]1)[C@@H](N)CC(C)C 271570a_100015190218_100010113459 [0,1,0,0,0,0|2,0,0]=3 142 B20R2.248340 COC(=O)c1cc2ccc(cc2[nH]1)[C@@H](N)CC(C)C 271570a_100015190218_100000246269 [0,1,0,0,0,0|3,0,0]=4 143 B20R2.248340 COC(=O)c1cc2ccc(cc2o1)[C@@H](N)CC(C)C 271570a_100015190218_100010365216 [0,1,0,0,0,0|3,0,0]=4 144 B20R2.248340 COC(=O)c1cc2ccc(cc2s1)[C@@H](N)CC(C)C 271570a_100015190218_100010178015 [0,1,0,0,0,0|3,0,0]=4 145 B20R2.248340 COC(=O)c1cn2cc(ccc2n1)[C@@H](N)CC(C)C 271570a_100015190218_100010000526 [0,1,0,0,0,0|2,0,1]=4 146 B20R2.248340 COC(=O)c1nc2ccc(cc2[nH]1)[C@@H](N)CC(C)C 271570a_100015190218_100012351599 [0,1,0,0,0,0|2,0,1]=4 147 B20R2.248340 COC(=O)c1nc2ccc(cc2o1)[C@@H](N)CC(C)C 271570a_100015190218_100010209328 [0,1,0,0,0,0|2,0,1]=4 148 B20R2.248340 COC(=O)c1nc2ccc(cc2s1)[C@@H](N)CC(C)C 271570a_100015190218_200010167800 [0,1,0,0,0,0|2,0,1]=4 149 B20R2.248341 COC(=O)c1cc2cc(ccc2[nH]1)SC(C)C(=O)C 62a_100009814033_100009814476 [0,1,0,0,0,0|1,1,1]=4 150 B20R2.248341 COC(=O)c1cc2cc(ccc2s1)NC(=O)C(C)C 188690a_100011296990_100000210198 [0,1,0,0,0,0|2,0,1]=4 151 B20R2.248341 COC(=O)c1cc2cc(cnc2[nH]1)NC(=O)C(C)C 188690a_100009869823_100000210198 [0,1,0,0,0,0|2,0,1]=4 152 B20R2.264249 C=CC(O)CSc1ccc2[nH]c(cc2c1)C(=O)OC 62a_100000730141_100009814476 [0,1,0,0,0,0|1,1,1]=4 153 B20R2.264249 CCC(=O)CSc1ccc2[nH]c(cc2c1)C(=O)OC 62a_100000747405_100009814476 [0,1,0,0,0,0|1,1,1]=4 154 B20R2.264249 CCC(C)COc1ccc2cc([nH]c2c1)C(=O)OC 34a_100000101677_100000748023 [0,1,0,0,0,0|2,0,0]=3 155 B20R2.264249 CCC(C)CSc1ccc2[nH]c(cc2c1)C(=O)NN 62a_100000748023_100009814497 [0,1,0,0,0,0|2,1,0]=4 156 B20R2.264249 CCC(C)CSc1ccc2[nH]c(cc2c1)C(=O)OC 62a_100000748023_100009814476 [0,1,0,0,0,0|0,1,0]=2 157 B20R2.264249 CCC(C)CSc1ccc2cc([nH]c2c1)C(=O)OC 62a_100000748023_100000246269 [0,1,0,0,0,0|2,1,0]=4 158 B20R2.264249 CCC(C)CSc1ccc2cc(oc2c1)C(=O)OC 62a_100000748023_100010365216 [0,1,0,0,0,0|2,1,0]=4 159 B20R2.264249 CCC(C)CSc1ccc2cc(sc2c1)C(=O)OC 62a_100010178015_100000748023 [0,1,0,0,0,0|2,1,0]=4 160 B20R2.264249 CCC(C)CSc1ccc2nc(cn2c1)C(=O)OC 62a_100000748023_100010000526 [0,1,0,0,0,0|1,1,1]=4 161 B20R2.264249 CCC(C)CSc1ccc2nc(cn2c1)C(=O)OC 62a_100010000526_100000748023 [0,1,0,0,0,0|1,1,1]=4 162 B20R2.264249 CCC(C)CSc1ccc2nc(oc2c1)C(=O)OC 62a_100000748023_100010209328 [0,1,0,0,0,0|1,1,1]=4 163 B20R2.264249 CCC(C)CSc1ccc2nc(sc2c1)C(=O)OC 62a_200010167800_100000748023 [0,1,0,0,0,0|1,1,1]=4 164 B20R2.264249 CCC(C)CSc1cnc2[nH]c(cc2c1)C(=O)OC 62a_100000748023_100010113459 [0,1,0,0,0,0|1,1,0]=3 165 B20R2.264249 CCC(O)COc1ccc2cc([nH]c2c1)C(=O)OC 34a_100000101677_100011218378 [0,1,0,0,0,0|3,0,0]=4 166 B20R2.264249 CCC(O)CSc1ccc2[nH]c(cc2c1)C(=O)OC 62a_100011218378_100009814476 [0,1,0,0,0,0|1,1,0]=3 167 B20R2.264249 CCC(O)CSc1cnc2[nH]c(cc2c1)C(=O)OC 62a_100011218378_100010113459 [0,1,0,0,0,0|2,1,0]=4 168 B20R2.264249 CC[C@H](C)COc1ccc2cc([nH]c2c1)C(=O)OC 34a_100000101677_100009816398 [0,1,0,0,0,0|2,0,0]=3 169 B20R2.264249 CC[C@H](C)CSc1ccc2[nH]c(cc2c1)C(=O)NN 62a_100009816398_100009814497 [0,1,0,0,0,0|2,1,0]=4 170 B20R2.264249 CC[C@H](C)CSc1ccc2[nH]c(cc2c1)C(=O)OC 62a_100009816398_100009814476 [0,1,0,0,0,0|0,1,0]=2 171 B20R2.264249 CC[C@H](C)CSc1ccc2cc([nH]c2c1)C(=O)OC 62a_100009816398_100000246269 [0,1,0,0,0,0|2,1,0]=4 172 B20R2.264249 CC[C@H](C)CSc1ccc2cc(oc2c1)C(=O)OC 62a_100009816398_100010365216 [0,1,0,0,0,0|2,1,0]=4 173 B20R2.264249 CC[C@H](C)CSc1ccc2cc(sc2c1)C(=O)OC 62a_100010178015_100009816398 [0,1,0,0,0,0|2,1,0]=4 174 B20R2.264249 CC[C@H](C)CSc1ccc2nc(cn2c1)C(=O)OC 62a_100009816398_100010000526 [0,1,0,0,0,0|1,1,1]=4 175 B20R2.264249 CC[C@H](C)CSc1ccc2nc(cn2c1)C(=O)OC 62a_100010000526_100009816398 [0,1,0,0,0,0|1,1,1]=4 176 B20R2.264249 CC[C@H](C)CSc1ccc2nc(oc2c1)C(=O)OC 62a_100009816398_100010209328 [0,1,0,0,0,0|1,1,1]=4 177 B20R2.264249 CC[C@H](C)CSc1ccc2nc(sc2c1)C(=O)OC 62a_200010167800_100009816398 [0,1,0,0,0,0|1,1,1]=4 178 B20R2.264249 CC[C@H](C)CSc1cnc2[nH]c(cc2c1)C(=O)OC 62a_100009816398_100010113459 [0,1,0,0,0,0|1,1,0]=3 179 B20R2.264249 CNC(=O)CSc1ccc2[nH]c(cc2c1)C(=O)OC 62a_100000183359_100009814476 [0,1,0,0,0,0|1,1,1]=4 180 B20R2.264249 COC(=O)CSc1ccc2[nH]c(cc2c1)C(=O)OC 62a_100000747449_100009814476 [0,1,0,0,0,0|1,1,1]=4 181 B20R2.264249 COC(=O)c1cc2cc(ccc2[nH]1)SCC(O)CO 62a_100011219619_100009814476 [0,1,0,0,0,0|1,1,0]=3 182 B20R2.264249 COC(=O)c1cc2cc(ccc2[nH]1)SC[C@@H](C)CO 62a_100000059175_100009814476 [0,1,0,0,0,0|0,1,0]=2 183 B20R2.264249 COC(=O)c1cc2cc(ccc2[nH]1)SC[C@@H](O)CF 62a_100015614560_100009814476 [0,1,0,0,0,0|1,1,0]=3 184 B20R2.264249 COC(=O)c1cc2cc(ccc2[nH]1)SC[C@@H](O)CO 62a_100009815848_100009814476 [0,1,0,0,0,0|1,1,0]=3 185 B20R2.264249 COC(=O)c1cc2cc(cnc2[nH]1)SCC(O)CO 62a_100011219619_100010113459 [0,1,0,0,0,0|2,1,0]=4 186 B20R2.264249 COC(=O)c1cc2cc(cnc2[nH]1)SC[C@@H](C)CO 62a_100000059175_100010113459 [0,1,0,0,0,0|1,1,0]=3 187 B20R2.264249 COC(=O)c1cc2cc(cnc2[nH]1)SC[C@@H](O)CF 62a_100015614560_100010113459 [0,1,0,0,0,0|2,1,0]=4 188 B20R2.264249 COC(=O)c1cc2cc(cnc2[nH]1)SC[C@@H](O)CO 62a_100009815848_100010113459 [0,1,0,0,0,0|2,1,0]=4 189 B20R2.264249 COC(=O)c1cc2ccc(cc2[nH]1)OCC(O)CO 34a_100000101677_100011219619 [0,1,0,0,0,0|3,0,0]=4 190 B20R2.264249 COC(=O)c1cc2ccc(cc2[nH]1)OC[C@@H](C)CO 34a_100000101677_100000059175 [0,1,0,0,0,0|2,0,0]=3 191 B20R2.264249 COC(=O)c1cc2ccc(cc2[nH]1)OC[C@@H](O)CF 34a_100000101677_100015614560 [0,1,0,0,0,0|3,0,0]=4 192 B20R2.264249 COC(=O)c1cc2ccc(cc2[nH]1)OC[C@@H](O)CO 34a_100000101677_100009815848 [0,1,0,0,0,0|3,0,0]=4 193 B20R2.264249 COC(=O)c1cc2ccc(cc2[nH]1)SC[C@@H](C)CO 62a_100000059175_100000246269 [0,1,0,0,0,0|2,1,0]=4 194 B20R2.264249 COC(=O)c1cc2ccc(cc2o1)SC[C@@H](C)CO 62a_100000059175_100010365216 [0,1,0,0,0,0|2,1,0]=4 195 B20R2.264249 COC(=O)c1cc2ccc(cc2s1)SC[C@@H](C)CO 62a_100010178015_100000059175 [0,1,0,0,0,0|2,1,0]=4 196 B20R2.264249 COC(=O)c1cn2cc(ccc2n1)SC[C@@H](C)CO 62a_100000059175_100010000526 [0,1,0,0,0,0|1,1,1]=4 197 B20R2.264249 COC(=O)c1cn2cc(ccc2n1)SC[C@@H](C)CO 62a_100010000526_100000059175 [0,1,0,0,0,0|1,1,1]=4 198 B20R2.264249 COC(=O)c1nc2ccc(cc2o1)SC[C@@H](C)CO 62a_100000059175_100010209328 [0,1,0,0,0,0|1,1,1]=4 199 B20R2.264249 COC(=O)c1nc2ccc(cc2s1)SC[C@@H](C)CO 62a_200010167800_100000059175 [0,1,0,0,0,0|1,1,1]=4 200 B20R2.264249 C[C@@H](CO)CSc1ccc2[nH]c(cc2c1)C(=O)NN 62a_100000059175_100009814497 [0,1,0,0,0,0|2,1,0]=4 201 B20R2.1365546 CC(C)(C)CSc1ccc2[nH]c(cc2c1)C(=O)NN 62a_100011219605_100009814497 [0,1,0,0,0,0|2,1,0]=4 202 B20R2.1365546 CC(C)(F)CSc1ccc2[nH]c(cc2c1)C(=O)NN 62a_100011997219_100009814497 [0,1,0,0,0,0|2,1,0]=4 203 B20R2.1365546 CC(C)(O)CSc1ccc2[nH]c(cc2c1)C(=O)NN 62a_100000764493_100009814497 [0,1,0,0,0,0|2,1,0]=4 204 B20R2.1365546 COC(=O)c1cc2cc(ccc2[nH]1)C#C[Si](C)(C)C 271570a_100010171944_100009814476 [0,1,0,0,0,0|1,1,1]=4 205 B20R2.1365546 COC(=O)c1cc2cc(ccc2[nH]1)C=CC(C)(C)C 271570a_100102527731_100009814476 [0,1,0,0,0,0|1,0,1]=3 206 B20R2.1365546 COC(=O)c1cc2cc(ccc2[nH]1)C=CC(C)(C)O 271570a_200016258132_100009814476 [0,1,0,0,0,0|1,0,1]=3 207 B20R2.1365546 COC(=O)c1cc2cc(ccc2[nH]1)SCC(C)(C)C 62a_100011219605_100009814476 [0,1,0,0,0,0|0,1,0]=2 208 B20R2.1365546 COC(=O)c1cc2cc(ccc2[nH]1)SCC(C)(C)F 62a_100011997219_100009814476 [0,1,0,0,0,0|0,1,0]=2 209 B20R2.1365546 COC(=O)c1cc2cc(ccc2[nH]1)SCC(C)(C)O 62a_100000764493_100009814476 [0,1,0,0,0,0|0,1,0]=2 210 B20R2.1365546 COC(=O)c1cc2cc(ccc2[nH]1)SCC(F)(F)F 62a_100000763148_100009814476 [0,1,0,0,0,0|2,1,0]=4 211 B20R2.1365546 COC(=O)c1cc2cc(ccc2[nH]1)SC[N+](C)(C)C 62a_200000036245_100009814476 [0,1,0,0,0,0|1,1,0]=3 212 B20R2.1365546 COC(=O)c1cc2cc(ccc2[nH]1)SC[Si](C)(C)C 62a_100000037933_100009814476 [0,1,0,0,0,0|0,2,0]=3 213 B20R2.1365546 COC(=O)c1cc2cc(ccc2s1)C=CC(C)(C)C 271570a_100102527731_100009812836 [0,1,0,0,0,0|2,0,1]=4 214 B20R2.1365546 COC(=O)c1cc2cc(ccc2s1)C=CC(C)(C)O 271570a_200016258132_100009812836 [0,1,0,0,0,0|2,0,1]=4 215 B20R2.1365546 COC(=O)c1cc2cc(cnc2[nH]1)C=CC(C)(C)C 271570a_100102527731_100010113459 [0,1,0,0,0,0|2,0,1]=4 216 B20R2.1365546 COC(=O)c1cc2cc(cnc2[nH]1)C=CC(C)(C)O 271570a_200016258132_100010113459 [0,1,0,0,0,0|2,0,1]=4 217 B20R2.1365546 COC(=O)c1cc2cc(cnc2[nH]1)SCC(C)(C)C 62a_100011219605_100010113459 [0,1,0,0,0,0|1,1,0]=3 218 B20R2.1365546 COC(=O)c1cc2cc(cnc2[nH]1)SCC(C)(C)F 62a_100011997219_100010113459 [0,1,0,0,0,0|1,1,0]=3 219 B20R2.1365546 COC(=O)c1cc2cc(cnc2[nH]1)SCC(C)(C)O 62a_100000764493_100010113459 [0,1,0,0,0,0|1,1,0]=3 220 B20R2.1365546 COC(=O)c1cc2cc(cnc2[nH]1)SC[N+](C)(C)C 62a_200000036245_100010113459 [0,1,0,0,0,0|2,1,0]=4 221 B20R2.1365546 COC(=O)c1cc2cc(cnc2[nH]1)SC[Si](C)(C)C 62a_100000037933_100010113459 [0,1,0,0,0,0|1,2,0]=4 222 B20R2.1365546 COC(=O)c1cc2ccc(cc2[nH]1)OCC(C)(C)C 34a_100000101677_100011219605 [0,1,0,0,0,0|2,0,0]=3 223 B20R2.1365546 COC(=O)c1cc2ccc(cc2[nH]1)OCC(C)(C)F 34a_100000101677_100011997219 [0,1,0,0,0,0|2,0,0]=3 224 B20R2.1365546 COC(=O)c1cc2ccc(cc2[nH]1)OCC(C)(C)O 34a_100000101677_100000764493 [0,1,0,0,0,0|2,0,0]=3 225 B20R2.1365546 COC(=O)c1cc2ccc(cc2[nH]1)SCC(C)(C)C 62a_100011219605_100000246269 [0,1,0,0,0,0|2,1,0]=4 226 B20R2.1365546 COC(=O)c1cc2ccc(cc2[nH]1)SCC(C)(C)F 62a_100011997219_100000246269 [0,1,0,0,0,0|2,1,0]=4 227 B20R2.1365546 COC(=O)c1cc2ccc(cc2[nH]1)SCC(C)(C)O 62a_100000764493_100000246269 [0,1,0,0,0,0|2,1,0]=4 228 B20R2.1365546 COC(=O)c1cc2ccc(cc2o1)SCC(C)(C)C 62a_100011219605_100010365216 [0,1,0,0,0,0|2,1,0]=4 229 B20R2.1365546 COC(=O)c1cc2ccc(cc2o1)SCC(C)(C)F 62a_100011997219_100010365216 [0,1,0,0,0,0|2,1,0]=4 230 B20R2.1365546 COC(=O)c1cc2ccc(cc2o1)SCC(C)(C)O 62a_100000764493_100010365216 [0,1,0,0,0,0|2,1,0]=4 231 B20R2.1365546 COC(=O)c1cc2ccc(cc2s1)SCC(C)(C)C 62a_100010178015_100011219605 [0,1,0,0,0,0|2,1,0]=4 232 B20R2.1365546 COC(=O)c1cc2ccc(cc2s1)SCC(C)(C)F 62a_100010178015_100011997219 [0,1,0,0,0,0|2,1,0]=4 233 B20R2.1365546 COC(=O)c1cc2ccc(cc2s1)SCC(C)(C)O 62a_100010178015_100000764493 [0,1,0,0,0,0|2,1,0]=4 234 B20R2.1365546 COC(=O)c1cn2cc(ccc2n1)SCC(C)(C)C 62a_100010000526_100011219605 [0,1,0,0,0,0|1,1,1]=4 235 B20R2.1365546 COC(=O)c1cn2cc(ccc2n1)SCC(C)(C)C 62a_100011219605_100010000526 [0,1,0,0,0,0|1,1,1]=4 236 B20R2.1365546 COC(=O)c1cn2cc(ccc2n1)SCC(C)(C)F 62a_100010000526_100011997219 [0,1,0,0,0,0|1,1,1]=4 237 B20R2.1365546 COC(=O)c1cn2cc(ccc2n1)SCC(C)(C)F 62a_100011997219_100010000526 [0,1,0,0,0,0|1,1,1]=4 238 B20R2.1365546 COC(=O)c1cn2cc(ccc2n1)SCC(C)(C)O 62a_100000764493_100010000526 [0,1,0,0,0,0|1,1,1]=4 239 B20R2.1365546 COC(=O)c1cn2cc(ccc2n1)SCC(C)(C)O 62a_100010000526_100000764493 [0,1,0,0,0,0|1,1,1]=4 240 B20R2.1365546 COC(=O)c1nc2ccc(cc2o1)SCC(C)(C)C 62a_100011219605_100010209328 [0,1,0,0,0,0|1,1,1]=4 241 B20R2.1365546 COC(=O)c1nc2ccc(cc2o1)SCC(C)(C)F 62a_100011997219_100010209328 [0,1,0,0,0,0|1,1,1]=4 242 B20R2.1365546 COC(=O)c1nc2ccc(cc2o1)SCC(C)(C)O 62a_100000764493_100010209328 [0,1,0,0,0,0|1,1,1]=4 243 B20R2.1365546 COC(=O)c1nc2ccc(cc2s1)SCC(C)(C)C 62a_200010167800_100011219605 [0,1,0,0,0,0|1,1,1]=4 244 B20R2.1365546 COC(=O)c1nc2ccc(cc2s1)SCC(C)(C)F 62a_200010167800_100011997219 [0,1,0,0,0,0|1,1,1]=4 245 B20R2.1365546 COC(=O)c1nc2ccc(cc2s1)SCC(C)(C)O 62a_200010167800_100000764493 [0,1,0,0,0,0|1,1,1]=4 246 B20R2.1366953 CC(C)CSc1ccc2c(c1)cc(n2C)C(=O)NN 62a_100000210624_100010778897 [0,1,0,0,0,0|2,1,0]=4 247 B20R2.1366953 CC(C)CSc1ccc2c(c1)cc(n2C)C(=O)NN 62a_100010778897_100000210760 [0,1,0,0,0,0|2,1,0]=4 248 B20R2.34196298 C=C(C)CSc1cc2cc([nH]c2cc1F)C(=O)OC 62a_100000748629_200020683298 [0,1,0,0,0,0|0,1,2]=4 249 B20R2.34196298 COC(=O)c1cc2cc(c(cc2[nH]1)F)C=CC(C)C 271570a_100016257149_200020683298 [0,1,0,0,0,0|1,0,1]=3 250 B20R2.34196298 COC(=O)c1cc2cc(c(cc2[nH]1)F)C=CC(C)O 271570a_200011019289_200020683298 [0,1,0,0,0,0|2,0,1]=4 251 B20R2.34196298 COC(=O)c1cc2cc(c(cc2[nH]1)F)SCC(C)C 62a_100000210624_200020683298 [0,1,0,0,0,0|0,1,0]=2 252 B20R2.34196298 COC(=O)c1cc2cc(c(cc2[nH]1)F)SCC(C)O 62a_100011218427_200020683298 [0,1,0,0,0,0|1,1,0]=3 253 B20R2.34196298 COC(=O)c1cc2cc(c(cc2[nH]1)F)SCC(F)F 62a_100011934356_200020683298 [0,1,0,0,0,0|2,1,0]=4 254 B20R2.34196298 COC(=O)c1cc2cc(c(cc2[nH]1)F)SC[C@@H](C)O 62a_100009817552_200020683298 [0,1,0,0,0,0|1,1,0]=3 255 B18R1.9368 C/C=C(\C)/C(=O)Nc1ccc(cc1)OCC(C)C 11a_200000243789_100020587367 [0,0,1,0,0,0|3,0,0]=4 256 B18R1.9368 C/C=C(\C)/C(=O)Nc1ccc(cc1)OCC(C)C 1626a_200000243789_100020587367 [0,0,1,0,0,0|3,0,0]=4 257 B18R1.9368 C/C=C(\C)/C(=O)Nc1ccc(cc1)OCC(C)C 22a_200000243789_100020587367 [0,0,1,0,0,0|3,0,0]=4 258 B18R1.9368 C=C(C)COc1ccc(cc1)NC(=O)C(=O)OC 11a_200015186533_100000024059 [0,0,1,0,0,0|1,0,2]=4 259 B18R1.9368 C=C(C)COc1ccc(cc1)NC(=O)C(=O)OC 1626a_200015186533_100000024059 [0,0,1,0,0,0|1,0,2]=4 260 B18R1.9368 C=C(C)COc1ccc(cc1)NC(=O)C(=O)OC 527a_200015186533_100000024059 [0,0,1,0,0,0|1,0,2]=4 261 B18R1.9368 CNC(=O)C(=O)Nc1ccc(cc1)OCC(C)C 1626a_200000243789_100011218921 [0,0,1,0,0,0|2,0,0]=3 262 B18R1.9368 CNC(=O)C(=O)Nc1ccc(cc1)OCC(C)C 22a_200000243789_100011218921 [0,0,1,0,0,0|2,0,0]=3 263 B18R1.9368 CNC(=O)C(=O)Nc1ccc(cc1)OCC(C)C 527a_200000243789_100011218921 [0,0,1,0,0,0|2,0,0]=3 264 B18R1.9368 CNC(=O)C(C)Nc1ccc(cc1)OCC(C)C 34a_200000243789_100000731044 [0,0,1,0,0,0|1,0,2]=4 265 B18R1.9368 CNC(=O)C(F)Nc1ccc(cc1)OCC(C)C 34a_200000243789_100009813575 [0,0,1,0,0,0|2,0,1]=4 266 B18R1.9368 CNC(=O)[C@@H](C)Nc1ccc(cc1)OCC(C)C 27a_100000684985_200000169949 [0,0,1,0,0,0|1,0,2]=4 267 B18R1.9368 COC(=O)C(=O)Nc1ccc(cc1)CCN(C)C 11a_100000751241_100000024059 [0,0,1,0,0,0|3,0,0]=4 268 B18R1.9368 COC(=O)C(=O)Nc1ccc(cc1)CCN(C)C 527a_100000751241_100000024059 [0,0,1,0,0,0|3,0,0]=4 269 B18R1.9368 COC(=O)C(=O)Nc1ccc(cc1)OCC(C)C 11a_200000243789_100000024059 [0,0,1,0,0,0|1,0,0]=2 270 B18R1.9368 COC(=O)C(=O)Nc1ccc(cc1)OCC(C)C 1626a_200000243789_100000024059 [0,0,1,0,0,0|1,0,0]=2 271 B18R1.9368 COC(=O)C(=O)Nc1ccc(cc1)OCC(C)C 527a_200000243789_100000024059 [0,0,1,0,0,0|1,0,0]=2 272 B18R1.9368 COC(=O)C(=O)Nc1ccc(cc1)OCC(F)F 11a_100000766895_100000024059 [0,0,1,0,0,0|3,0,0]=4 273 B18R1.9368 COC(=O)C(=O)Nc1ccc(cc1)OCC(F)F 1626a_100000766895_100000024059 [0,0,1,0,0,0|3,0,0]=4 274 B18R1.9368 COC(=O)C(=O)Nc1ccc(cc1)OCC(F)F 527a_100000766895_100000024059 [0,0,1,0,0,0|3,0,0]=4 275 B18R1.9368 COC(=O)C(C)Nc1ccc(cc1)OCC(C)C 34a_200000243789_100000211248 [0,0,1,0,0,0|0,0,2]=3 276 B18R1.9368 COC(=O)C(C)Sc1ccc(cc1)OCC(C)C 62a_100000211248_200000169949 [0,0,1,0,0,0|1,0,2]=4 277 B18R1.9368 COC(=O)C(C)Sc1ccc(cc1)OCC(C)C 62a_200000169949_100000211248 [0,0,1,0,0,0|1,0,2]=4 278 B18R1.9368 COC(=O)[C@@H](C)Oc1ccc(cc1)OCC(C)C 34a_100000007208_100000210624 [0,0,1,0,0,0|1,0,2]=4 279 B18R1.9368 COC(=O)[C@@H](C)Oc1ccc(cc1)OCC(C)C 7a_100000007208_100000210760 [0,0,1,0,0,0|1,0,2]=4 280 B18R1.9368 COC(=O)[C@H](N)Cc1ccc(cc1)OCC(C)C 34a_100012184189_100000210624 [0,0,1,0,0,0|2,0,1]=4 281 B18R1.9368 COC(C)C(=O)Nc1ccc(cc1)OCC(C)C 11a_200000243789_100000743197 [0,0,1,0,0,0|2,0,1]=4 282 B18R1.9368 COC(C)C(=O)Nc1ccc(cc1)OCC(C)C 1626a_200000243789_100000743197 [0,0,1,0,0,0|2,0,1]=4 283 B18R1.9368 COC(C)C(=O)Nc1ccc(cc1)OCC(C)C 22a_200000243789_100000743197 [0,0,1,0,0,0|2,0,1]=4 284 B18R1.9368 COC(C)C(=O)Nc1ccc(cc1)OCC(C)C 527a_200000243789_100000743197 [0,0,1,0,0,0|2,0,1]=4 285 B18R1.9384 COC(=O)C(C)Sc1cccc(c1)OCC(C)C 62a_100000211248_200000170005 [0,0,1,0,0,0|2,0,1]=4 286 B18R1.9384 COC(=O)C(C)Sc1cccc(c1)OCC(C)C 62a_200000170005_100000211248 [0,0,1,0,0,0|2,0,1]=4 287 B18R1.9384 COC(=O)C(N)Cc1cccc(c1)SCC(C)C 62a_100000210624_100102946621 [0,0,1,0,0,0|0,1,2]=4 288 B18R1.9384 COC(=O)C(N)Cc1cccc(c1)SCC(C)C 62a_100102946621_100000210760 [0,0,1,0,0,0|0,1,2]=4 289 B18R1.9384 COC(=O)C(O)Cc1cccc(c1)OCC(C)C 34a_100020587144_100000210624 [0,0,1,0,0,0|1,0,2]=4 290 B18R1.9384 COC(=O)C(O)Cc1cccc(c1)OCC(C)C 7a_100020587144_100000210760 [0,0,1,0,0,0|1,0,2]=4 291 B18R1.9384 COC(=O)[C@@H](N)Cc1cccc(c1)OCC(C)C 34a_100016991376_100000210624 [0,0,1,0,0,0|0,0,2]=3 292 B18R1.9384 COC(=O)[C@@H](N)Cc1cccc(c1)OCC(C)O 34a_100016991376_100011218427 [0,0,1,0,0,0|1,0,2]=4 293 B18R1.9384 COC(=O)[C@@H](N)Cc1cccc(c1)OC[C@@H](C)O 34a_100016991376_100009817552 [0,0,1,0,0,0|1,0,2]=4 294 B18R1.37647 CNC(=O)CNc1ccc(cc1Br)OCC(C)C 27a_100000693194_201991077984 [0,0,1,0,0,0|2,0,1]=4 295 B18R1.37647 COC(=O)/C=C/c1ccc(cc1F)SCC(C)C 62a_100000210624_100102763825 [0,0,1,0,0,0|2,1,0]=4 296 B18R1.37647 COC(=O)/C=C/c1ccc(cc1F)SCC(C)C 62a_100102763825_100000210760 [0,0,1,0,0,0|2,1,0]=4 297 B18R1.37647 COC(=O)CSc1ccc(cc1Br)OCC(C)C 62a_100000747449_201991077984 [0,0,1,0,0,0|2,0,1]=4 298 B18R1.37647 COC(=O)CSc1ccc(cc1Br)OCC(C)C 62a_201991077984_100000747449 [0,0,1,0,0,0|2,0,1]=4 299 B20R3.416132 COC(=O)c1cc2cc(ccc2[nH]1)C#CC3CC3 271570a_200009880635_100009814476 [0,0,0,1,0,0|1,0,1]=3 300 B20R3.416132 COC(=O)c1cc2cc(ccc2[nH]1)C=CC3CC3 271570a_100102526188_100009814476 [0,0,0,1,0,0|1,0,1]=3 301 B20R3.416132 COC(=O)c1cc2cc(ccc2[nH]1)SCC3CC3 62a_100000756562_100009814476 [0,0,0,1,0,0|0,1,0]=2 302 B20R3.416132 COC(=O)c1cc2cc(ccc2[nH]1)SCC3CO3 62a_102125554688_100009814476 [0,0,0,1,0,0|1,1,0]=3 303 B20R3.416132 COC(=O)c1cc2cc(ccc2[nH]1)SCC3CS3 62a_100000031435_100009814476 [0,0,0,1,0,0|1,1,0]=3 304 B20R3.416132 COC(=O)c1cc2cc(ccc2[nH]1)SC[C@@H]3CO3 62a_100000745022_100009814476 [0,0,0,1,0,0|1,1,0]=3 305 B20R3.416132 COC(=O)c1cc2cc(ccc2s1)C#CC3CC3 271570a_200009880635_100009812836 [0,0,0,1,0,0|2,0,1]=4 306 B20R3.416132 COC(=O)c1cc2cc(ccc2s1)C=CC3CC3 271570a_100102526188_100009812836 [0,0,0,1,0,0|2,0,1]=4 307 B20R3.416132 COC(=O)c1cc2cc(cnc2[nH]1)C#CC3CC3 271570a_200009880635_100010113459 [0,0,0,1,0,0|2,0,1]=4 308 B20R3.416132 COC(=O)c1cc2cc(cnc2[nH]1)C=CC3CC3 271570a_100102526188_100010113459 [0,0,0,1,0,0|2,0,1]=4 309 B20R3.416132 COC(=O)c1cc2cc(cnc2[nH]1)SCC3CC3 62a_100000756562_100010113459 [0,0,0,1,0,0|1,1,0]=3 310 B20R3.416132 COC(=O)c1cc2cc(cnc2[nH]1)SCC3CO3 62a_102125554688_100010113459 [0,0,0,1,0,0|2,1,0]=4 311 B20R3.416132 COC(=O)c1cc2cc(cnc2[nH]1)SCC3CS3 62a_100000031435_100010113459 [0,0,0,1,0,0|2,1,0]=4 312 B20R3.416132 COC(=O)c1cc2cc(cnc2[nH]1)SC[C@@H]3CO3 62a_100000745022_100010113459 [0,0,0,1,0,0|2,1,0]=4 313 B20R3.416132 COC(=O)c1cc2ccc(cc2[nH]1)OCC3CC3 34a_100000101677_100000742324 [0,0,0,1,0,0|2,0,0]=3 314 B20R3.416132 COC(=O)c1cc2ccc(cc2[nH]1)OCC3CO3 34a_100000101677_102125554688 [0,0,0,1,0,0|3,0,0]=4 315 B20R3.416132 COC(=O)c1cc2ccc(cc2[nH]1)SCC3CC3 62a_100000756562_100000246269 [0,0,0,1,0,0|2,1,0]=4 316 B20R3.416132 COC(=O)c1cc2ccc(cc2o1)SCC3CC3 62a_100000756562_100010365216 [0,0,0,1,0,0|2,1,0]=4 317 B20R3.416132 COC(=O)c1cc2ccc(cc2s1)SCC3CC3 62a_100010178015_100000742324 [0,0,0,1,0,0|2,1,0]=4 318 B20R3.416132 COC(=O)c1cn2cc(ccc2n1)SCC3CC3 62a_100000756562_100010000526 [0,0,0,1,0,0|1,1,1]=4 319 B20R3.416132 COC(=O)c1cn2cc(ccc2n1)SCC3CC3 62a_100010000526_100000742324 [0,0,0,1,0,0|1,1,1]=4 320 B20R3.416132 COC(=O)c1nc2ccc(cc2o1)SCC3CC3 62a_100000756562_100010209328 [0,0,0,1,0,0|1,1,1]=4 321 B20R3.416132 COC(=O)c1nc2ccc(cc2s1)SCC3CC3 62a_200010167800_100000742324 [0,0,0,1,0,0|1,1,1]=4 322 B20R3.416132 NNC(=O)c1cc2cc(ccc2[nH]1)SCC3CC3 62a_100000756562_100009814497 [0,0,0,1,0,0|2,1,0]=4 323 B18R2.96514 CC(C)Sc1ccc2[nH]c(cc2c1)C(=O)NN 62a_100000210206_100009814497 [0,0,0,0,1,0|2,1,0]=4 324 B18R2.96514 COC(=O)c1cc2cc(ccc2[nH]1)C=C(C)C 271570a_100102525489_100009814476 [0,0,0,0,1,0|0,0,2]=3 325 B18R2.96514 COC(=O)c1cc2cc(ccc2[nH]1)SC(C)C 62a_100000210206_100009814476 [0,0,0,0,1,0|0,1,0]=2 326 B18R2.96514 COC(=O)c1cc2cc(ccc2s1)C=C(C)C 271570a_100102525489_100009812836 [0,0,0,0,1,0|1,0,2]=4 327 B18R2.96514 COC(=O)c1cc2cc(cnc2[nH]1)C=C(C)C 271570a_100102525489_100010113459 [0,0,0,0,1,0|1,0,2]=4 328 B18R2.96514 COC(=O)c1cc2cc(cnc2[nH]1)SC(C)C 62a_100000210206_100010113459 [0,0,0,0,1,0|1,1,0]=3 329 B18R2.96514 COC(=O)c1cc2ccc(cc2[nH]1)OC(C)C 34a_100000101677_100000210206 [0,0,0,0,1,0|2,0,0]=3 330 B18R2.96514 COC(=O)c1cc2ccc(cc2[nH]1)SC(C)C 62a_100000210206_100000246269 [0,0,0,0,1,0|2,1,0]=4 331 B18R2.96514 COC(=O)c1cc2ccc(cc2o1)SC(C)C 62a_100000210206_100010365216 [0,0,0,0,1,0|2,1,0]=4 332 B18R2.96514 COC(=O)c1cc2ccc(cc2s1)SC(C)C 62a_100010178015_100000210206 [0,0,0,0,1,0|2,1,0]=4 333 B18R2.96514 COC(=O)c1cn2cc(ccc2n1)SC(C)C 62a_100000210206_100010000526 [0,0,0,0,1,0|1,1,1]=4 334 B18R2.96514 COC(=O)c1cn2cc(ccc2n1)SC(C)C 62a_100010000526_100000210206 [0,0,0,0,1,0|1,1,1]=4 335 B18R2.96514 COC(=O)c1nc2ccc(cc2o1)SC(C)C 62a_100000210206_100010209328 [0,0,0,0,1,0|1,1,1]=4 336 B18R2.96514 COC(=O)c1nc2ccc(cc2s1)SC(C)C 62a_200010167800_100000210206 [0,0,0,0,1,0|1,1,1]=4 337 B20R2.246867 C=C(C)COc1ccc2ccc(cc2c1)C(=O)OC 34a_100010238490_100000748629 [0,0,0,0,0,1|1,0,2]=4 338 B20R2.246867 C=C(C)COc1ccc2ccc(cc2c1)C(=O)OC 7a_100010238490_100000748629 [0,0,0,0,0,1|1,0,2]=4 339 B20R2.246867 COC(=O)C1=Cc2cc(ccc2OC1)C=CC(C)C 271570a_100016257149_100011192627 [0,0,0,0,0,1|2,0,1]=4 340 B20R2.246867 COC(=O)C1=Cc2cc(ccc2OC1)SCC(C)C 62a_100011192627_100000210760 [0,0,0,0,0,1|1,1,0]=3 341 B20R2.246867 COC(=O)C1=Cc2cc(ccc2OC1)SCC(C)O 62a_100011192627_100011218427 [0,0,0,0,0,1|2,1,0]=4 342 B20R2.246867 COC(=O)C1=Cc2cc(ccc2OC1)SC[C@@H](C)O 62a_100011192627_100009817552 [0,0,0,0,0,1|2,1,0]=4 343 B20R2.246867 COC(=O)c1ccc2ccc(cc2c1)COC(C)C 34a_200010169309_100000210206 [0,0,0,0,0,1|3,0,0]=4 344 B20R2.246867 COC(=O)c1ccc2ccc(cc2c1)COC(C)C 7a_200010169309_100000210206 [0,0,0,0,0,1|3,0,0]=4 345 B20R2.246867 COC(=O)c1ccc2ccc(cc2c1)OCC(C)C 34a_100010238490_100000210624 [0,0,0,0,0,1|1,0,0]=2 346 B20R2.246867 COC(=O)c1ccc2ccc(cc2c1)OCC(C)C 7a_100010238490_100000210760 [0,0,0,0,0,1|1,0,0]=2 347 B20R2.246867 COC(=O)c1ccc2ccc(cc2c1)OCC(C)O 34a_100010238490_100011218427 [0,0,0,0,0,1|2,0,0]=3 348 B20R2.246867 COC(=O)c1ccc2ccc(cc2c1)OCC(C)O 7a_100010238490_100011218427 [0,0,0,0,0,1|2,0,0]=3 349 B20R2.246867 COC(=O)c1ccc2ccc(cc2c1)OCC(F)F 34a_100010238490_100011934356 [0,0,0,0,0,1|3,0,0]=4 350 B20R2.246867 COC(=O)c1ccc2ccc(cc2c1)OCC(F)F 7a_100010238490_100011934356 [0,0,0,0,0,1|3,0,0]=4 351 B20R2.246867 COC(=O)c1ccc2ccc(cc2c1)OC[C@@H](C)O 34a_100010238490_100009817552 [0,0,0,0,0,1|2,0,0]=3 352 B20R2.246867 COC(=O)c1ccc2ccc(cc2c1)OC[C@@H](C)O 7a_100010238490_100009817552 [0,0,0,0,0,1|2,0,0]=3 353 B20R2.246867 COC(=O)c1ccc2ccc(cc2n1)SCC(C)C 62a_200010096807_100000210760 [0,0,0,0,0,1|2,1,0]=4 354 B20R2.246867 COC(=O)c1ccc2ccc(nc2c1)NCC(C)C 27a_100000210953_100010382898 [0,0,0,0,0,1|3,0,0]=4 355 B20R2.246867 COC(=O)c1ccc2ccc(nc2c1)SCC(C)C 62a_100000210624_100010382898 [0,0,0,0,0,1|2,1,0]=4 356 B20R2.246867 COC(=O)c1ccc2ncc(cc2c1)SCC(C)C 62a_100000210624_100010124980 [0,0,0,0,0,1|2,1,0]=4 357 B20R2.246867 COC(=O)c1ccc2ncc(cc2c1)SCC(C)C 62a_100010124980_100000210760 [0,0,0,0,0,1|2,1,0]=4 358 B20R2.246906 C=C(C)COc1ccc2cc(ccc2c1)C(=O)OC 34a_100000026998_100000748629 [0,0,0,0,0,1|1,0,2]=4 359 B20R2.246906 C=C(C)COc1ccc2cc(ccc2c1)C(=O)OC 7a_100000026998_100000748629 [0,0,0,0,0,1|1,0,2]=4 360 B20R2.246906 COC(=O)C1=Cc2ccc(cc2OC1)SCC(C)C 62a_100010168985_100000210760 [0,0,0,0,0,1|1,1,1]=4 361 B20R2.246906 COC(=O)c1ccc2cc(ccc2c1)C=CC(C)C 271570a_100016257149_100011218122 [0,0,0,0,0,1|2,0,1]=4 362 B20R2.246906 COC(=O)c1ccc2cc(ccc2c1)OCC(C)C 34a_100000026998_100000210624 [0,0,0,0,0,1|1,0,0]=2 363 B20R2.246906 COC(=O)c1ccc2cc(ccc2c1)OCC(C)C 7a_100000026998_100000210760 [0,0,0,0,0,1|1,0,0]=2 364 B20R2.246906 COC(=O)c1ccc2cc(ccc2c1)OCC(C)O 34a_100000026998_100011218427 [0,0,0,0,0,1|2,0,0]=3 365 B20R2.246906 COC(=O)c1ccc2cc(ccc2c1)OCC(C)O 7a_100000026998_100011218427 [0,0,0,0,0,1|2,0,0]=3 366 B20R2.246906 COC(=O)c1ccc2cc(ccc2c1)OCC(F)F 34a_100000026998_100011934356 [0,0,0,0,0,1|3,0,0]=4 367 B20R2.246906 COC(=O)c1ccc2cc(ccc2c1)OCC(F)F 7a_100000026998_100011934356 [0,0,0,0,0,1|3,0,0]=4 368 B20R2.246906 COC(=O)c1ccc2cc(ccc2c1)OC[C@@H](C)O 34a_100000026998_100009817552 [0,0,0,0,0,1|2,0,0]=3 369 B20R2.246906 COC(=O)c1ccc2cc(ccc2c1)OC[C@@H](C)O 7a_100000026998_100009817552 [0,0,0,0,0,1|2,0,0]=3 370 B20R2.246906 COC(=O)c1ccc2cc(ccc2c1)SCC(C)C 62a_100000210624_100011218122 [0,0,0,0,0,1|1,1,0]=3 371 B20R2.246906 COC(=O)c1ccc2cc(ccc2c1)SCC(C)C 62a_100011218122_100000210760 [0,0,0,0,0,1|1,1,0]=3 372 B20R2.246906 COC(=O)c1ccc2cc(ccc2c1)SCC(C)O 62a_100011218122_100011218427 [0,0,0,0,0,1|2,1,0]=4 373 B20R2.246906 COC(=O)c1ccc2cc(ccc2c1)SCC(C)O 62a_100011218427_100011218122 [0,0,0,0,0,1|2,1,0]=4 374 B20R2.246906 COC(=O)c1ccc2cc(ccc2c1)SC[C@@H](C)O 62a_100009817552_100011218122 [0,0,0,0,0,1|2,1,0]=4 375 B20R2.246906 COC(=O)c1ccc2cc(ccc2c1)SC[C@@H](C)O 62a_100011218122_100009817552 [0,0,0,0,0,1|2,1,0]=4 376 B20R2.246906 COC(=O)c1ccc2cc(ccc2n1)C=CC(C)C 271570a_100016257149_100012354044 [0,0,0,0,0,1|1,0,2]=4 377 B20R2.246906 COC(=O)c1ccc2cc(ccc2n1)SCC(C)C 62a_100012354044_100000210760 [0,0,0,0,0,1|0,1,1]=3 378 B20R2.246906 COC(=O)c1ccc2cc(ccc2n1)SCC(C)O 62a_100012354044_100011218427 [0,0,0,0,0,1|1,1,1]=4 379 B20R2.246906 COC(=O)c1ccc2cc(ccc2n1)SC[C@@H](C)O 62a_100012354044_100009817552 [0,0,0,0,0,1|1,1,1]=4 380 B20R2.246906 COC(=O)c1ccc2nc(ccc2c1)NCC(C)C 27a_100000210953_100000047742 [0,0,0,0,0,1|3,0,0]=4 381 B20R2.246906 COC(=O)c1ccc2nc(ccc2c1)SCC(C)C 62a_100000210624_100000047742 [0,0,0,0,0,1|2,1,0]=4 382 B20R2.246906 COC(=O)c1cnc2cc(ccc2c1)C=CC(C)C 271570a_100016257149_100010209555 [0,0,0,0,0,1|2,0,1]=4 383 B20R2.246906 COC(=O)c1cnc2cc(ccc2c1)NCC(C)C 27a_100000210953_100010209555 [0,0,0,0,0,1|2,0,0]=3 384 B20R2.246906 COC(=O)c1cnc2cc(ccc2c1)NCC(C)O 27a_100000210904_100010209555 [0,0,0,0,0,1|3,0,0]=4 385 B20R2.246906 COC(=O)c1cnc2cc(ccc2c1)SCC(C)C 62a_100000210624_100010209555 [0,0,0,0,0,1|1,1,0]=3 386 B20R2.246906 COC(=O)c1cnc2cc(ccc2c1)SCC(C)C 62a_100010209555_100000210760 [0,0,0,0,0,1|1,1,0]=3 387 B20R2.246906 COC(=O)c1cnc2cc(ccc2c1)SCC(C)O 62a_100010209555_100011218427 [0,0,0,0,0,1|2,1,0]=4 388 B20R2.246906 COC(=O)c1cnc2cc(ccc2c1)SCC(C)O 62a_100011218427_100010209555 [0,0,0,0,0,1|2,1,0]=4 389 B20R2.246906 COC(=O)c1cnc2cc(ccc2c1)SC[C@@H](C)O 62a_100009817552_100010209555 [0,0,0,0,0,1|2,1,0]=4 390 B20R2.246906 COC(=O)c1cnc2cc(ccc2c1)SC[C@@H](C)O 62a_100010209555_100009817552 [0,0,0,0,0,1|2,1,0]=4 391 B20R2.248342 C=C(C)CCSc1ccc2[nH]c(cc2c1)C(=O)OC 62a_100000730704_100009814476 [0,0,0,0,0,1|0,1,2]=4 392 B20R2.248342 CC(C)CC=Cc1ccc2[nH]c(cc2c1)C(=O)NN 271570a_100016259101_100009814497 [0,0,0,0,0,1|3,0,0]=4 393 B20R2.248342 CC(C)CCSc1ccc2[nH]c(cc2c1)C(=O)NN 62a_100000210312_100009814497 [0,0,0,0,0,1|2,1,0]=4 394 B20R2.248342 CC(C)OCSc1ccc2[nH]c(cc2c1)C(=O)NN 62a_100000709892_100009814497 [0,0,0,0,0,1|2,1,0]=4 395 B20R2.248342 COC(=O)c1cc2cc(ccc2[nH]1)C=CCC(C)C 271570a_100016259101_100009814476 [0,0,0,0,0,1|1,0,0]=2 396 B20R2.248342 COC(=O)c1cc2cc(ccc2[nH]1)SCC=C(C)C 62a_100000761012_100009814476 [0,0,0,0,0,1|0,1,1]=3 397 B20R2.248342 COC(=O)c1cc2cc(ccc2[nH]1)SCCC(=O)C 62a_100000053229_100009814476 [0,0,0,0,0,1|1,1,1]=4 398 B20R2.248342 COC(=O)c1cc2cc(ccc2[nH]1)SCCC(C)C 62a_100000210312_100009814476 [0,0,0,0,0,1|0,1,0]=2 399 B20R2.248342 COC(=O)c1cc2cc(ccc2[nH]1)SCCC(C)O 62a_100012276601_100009814476 [0,0,0,0,0,1|1,1,0]=3 400 B20R2.248342 COC(=O)c1cc2cc(ccc2[nH]1)SCOC(=O)C 62a_100000076356_100009814476 [0,0,0,0,0,1|1,1,1]=4 401 B20R2.248342 COC(=O)c1cc2cc(ccc2[nH]1)SCOC(C)C 62a_100000709892_100009814476 [0,0,0,0,0,1|0,1,0]=2 402 B20R2.248342 COC(=O)c1cc2cc(ccc2s1)C=CCC(C)C 271570a_100016259101_100009812836 [0,0,0,0,0,1|2,0,0]=3 403 B20R2.248342 COC(=O)c1cc2cc(cnc2[nH]1)C=CCC(C)C 271570a_100016259101_100010113459 [0,0,0,0,0,1|2,0,0]=3 404 B20R2.248342 COC(=O)c1cc2cc(cnc2[nH]1)SCC=C(C)C 62a_100000761012_100010113459 [0,0,0,0,0,1|1,1,1]=4 405 B20R2.248342 COC(=O)c1cc2cc(cnc2[nH]1)SCCC(C)C 62a_100000210312_100010113459 [0,0,0,0,0,1|1,1,0]=3 406 B20R2.248342 COC(=O)c1cc2cc(cnc2[nH]1)SCCC(C)O 62a_100012276601_100010113459 [0,0,0,0,0,1|2,1,0]=4 407 B20R2.248342 COC(=O)c1cc2cc(cnc2[nH]1)SCOC(C)C 62a_100000709892_100010113459 [0,0,0,0,0,1|1,1,0]=3 408 B20R2.248342 COC(=O)c1cc2ccc(cc2[nH]1)C=CCC(C)C 271570a_100016259101_100000246269 [0,0,0,0,0,1|3,0,0]=4 409 B20R2.248342 COC(=O)c1cc2ccc(cc2[nH]1)OCC=C(C)C 34a_100000101677_100000761012 [0,0,0,0,0,1|2,0,1]=4 410 B20R2.248342 COC(=O)c1cc2ccc(cc2[nH]1)OCCC(C)C 34a_100000101677_100000210312 [0,0,0,0,0,1|2,0,0]=3 411 B20R2.248342 COC(=O)c1cc2ccc(cc2[nH]1)OCCC(C)O 34a_100000101677_100012276601 [0,0,0,0,0,1|3,0,0]=4 412 B20R2.248342 COC(=O)c1cc2ccc(cc2[nH]1)OCOC(C)C 34a_100000101677_100000709892 [0,0,0,0,0,1|2,0,0]=3 413 B20R2.248342 COC(=O)c1cc2ccc(cc2[nH]1)SCCC(C)C 62a_100000210312_100000246269 [0,0,0,0,0,1|2,1,0]=4 414 B20R2.248342 COC(=O)c1cc2ccc(cc2[nH]1)SCOC(C)C 62a_100000709892_100000246269 [0,0,0,0,0,1|2,1,0]=4 415 B20R2.248342 COC(=O)c1cc2ccc(cc2o1)C=CCC(C)C 271570a_100016259101_100010365216 [0,0,0,0,0,1|3,0,0]=4 416 B20R2.248342 COC(=O)c1cc2ccc(cc2o1)SCCC(C)C 62a_100000210312_100010365216 [0,0,0,0,0,1|2,1,0]=4 417 B20R2.248342 COC(=O)c1cc2ccc(cc2o1)SCOC(C)C 62a_100000709892_100010365216 [0,0,0,0,0,1|2,1,0]=4 418 B20R2.248342 COC(=O)c1cc2ccc(cc2s1)C=CCC(C)C 271570a_100016259101_100010178015 [0,0,0,0,0,1|3,0,0]=4 419 B20R2.248342 COC(=O)c1cc2ccc(cc2s1)SCCC(C)C 62a_100010178015_100000210312 [0,0,0,0,0,1|2,1,0]=4 420 B20R2.248342 COC(=O)c1cc2ccc(cc2s1)SCOC(C)C 62a_100010178015_100000709892 [0,0,0,0,0,1|2,1,0]=4 421 B20R2.248342 COC(=O)c1cn2cc(ccc2n1)C=CCC(C)C 271570a_100016259101_100010000526 [0,0,0,0,0,1|2,0,1]=4 422 B20R2.248342 COC(=O)c1cn2cc(ccc2n1)SCCC(C)C 62a_100000210312_100010000526 [0,0,0,0,0,1|1,1,1]=4 423 B20R2.248342 COC(=O)c1cn2cc(ccc2n1)SCCC(C)C 62a_100010000526_100000210312 [0,0,0,0,0,1|1,1,1]=4 424 B20R2.248342 COC(=O)c1cn2cc(ccc2n1)SCOC(C)C 62a_100000709892_100010000526 [0,0,0,0,0,1|1,1,1]=4 425 B20R2.248342 COC(=O)c1cn2cc(ccc2n1)SCOC(C)C 62a_100010000526_100000709892 [0,0,0,0,0,1|1,1,1]=4 426 B20R2.248342 COC(=O)c1nc2ccc(cc2[nH]1)C=CCC(C)C 271570a_100016259101_100012351599 [0,0,0,0,0,1|2,0,1]=4 427 B20R2.248342 COC(=O)c1nc2ccc(cc2o1)C=CCC(C)C 271570a_100016259101_100010209328 [0,0,0,0,0,1|2,0,1]=4 428 B20R2.248342 COC(=O)c1nc2ccc(cc2o1)SCCC(C)C 62a_100000210312_100010209328 [0,0,0,0,0,1|1,1,1]=4 429 B20R2.248342 COC(=O)c1nc2ccc(cc2o1)SCOC(C)C 62a_100000709892_100010209328 [0,0,0,0,0,1|1,1,1]=4 430 B20R2.248342 COC(=O)c1nc2ccc(cc2s1)C=CCC(C)C 271570a_100016259101_200010167800 [0,0,0,0,0,1|2,0,1]=4 431 B20R2.248342 COC(=O)c1nc2ccc(cc2s1)SCCC(C)C 62a_200010167800_100000210312 [0,0,0,0,0,1|1,1,1]=4 432 B20R2.248342 COC(=O)c1nc2ccc(cc2s1)SCOC(C)C 62a_200010167800_100000709892 [0,0,0,0,0,1|1,1,1]=4 433 B17R1.1368 C=C(C)COc1cccc(c1)/C=C/C(=O)OC 34a_200102525237_100000748629 [1,0,1,0,0,0|0,0,2]=4 434 B17R1.1368 C=C(C)COc1cccc(c1)/C=C/C(=O)OC 7a_200102525237_100000748629 [1,0,1,0,0,0|0,0,2]=4 435 B17R1.1368 CC(C)COc1cccc(c1)C=CC(=O)CBr 6a_100000170242_100009888967 [1,0,1,0,0,0|2,0,0]=4 436 B17R1.1368 CC(C)COc1cccc(c1)C=CC(=O)CCl 6a_100000170242_100000086384 [1,0,1,0,0,0|2,0,0]=4 437 B17R1.1368 CC(C)COc1cccc(c1)C=CC(=O)CF 6a_100000170242_100000764096 [1,0,1,0,0,0|2,0,0]=4 438 B17R1.1368 CCC(=O)C=Cc1cccc(c1)OCC(C)C 6a_100000170242_100000211110 [1,0,1,0,0,0|1,0,0]=3 439 B17R1.1368 COC(=O)/C=C/c1cccc(c1)C=CC(C)C 271570a_100016257149_100000149372 [1,0,1,0,0,0|1,0,1]=4 440 B17R1.1368 COC(=O)/C=C/c1cccc(c1)OCC(C)C 34a_200102525237_100000210624 [1,0,1,0,0,0|0,0,0]=2 441 B17R1.1368 COC(=O)/C=C/c1cccc(c1)OCC(C)C 7a_200102525237_100000210760 [1,0,1,0,0,0|0,0,0]=2 442 B17R1.1368 COC(=O)/C=C/c1cccc(c1)OCC(C)O 34a_200102525237_100011218427 [1,0,1,0,0,0|1,0,0]=3 443 B17R1.1368 COC(=O)/C=C/c1cccc(c1)OCC(C)O 7a_200102525237_100011218427 [1,0,1,0,0,0|1,0,0]=3 444 B17R1.1368 COC(=O)/C=C/c1cccc(c1)OCC(F)F 34a_200102525237_100011934356 [1,0,1,0,0,0|2,0,0]=4 445 B17R1.1368 COC(=O)/C=C/c1cccc(c1)OCC(F)F 7a_200102525237_100011934356 [1,0,1,0,0,0|2,0,0]=4 446 B17R1.1368 COC(=O)/C=C/c1cccc(c1)OC[C@@H](C)O 34a_200102525237_100009817552 [1,0,1,0,0,0|1,0,0]=3 447 B17R1.1368 COC(=O)/C=C/c1cccc(c1)OC[C@@H](C)O 7a_200102525237_100009817552 [1,0,1,0,0,0|1,0,0]=3 448 B17R1.1368 COC(=O)/C=C/c1cccc(c1)SCC(C)C 62a_100000149372_100000210760 [1,0,1,0,0,0|0,1,0]=3 449 B17R1.1368 COC(=O)/C=C/c1cccc(c1)SCC(C)C 62a_100000210624_100000149372 [1,0,1,0,0,0|0,1,0]=3 450 B17R1.1368 COC(=O)/C=C/c1cccc(c1)SCC(C)O 62a_100000149372_100011218427 [1,0,1,0,0,0|1,1,0]=4 451 B17R1.1368 COC(=O)/C=C/c1cccc(c1)SCC(C)O 62a_100011218427_100000149372 [1,0,1,0,0,0|1,1,0]=4 452 B17R1.1368 COC(=O)/C=C/c1cccc(c1)SC[C@@H](C)O 62a_100000149372_100009817552 [1,0,1,0,0,0|1,1,0]=4 453 B17R1.1368 COC(=O)/C=C/c1cccc(c1)SC[C@@H](C)O 62a_100009817552_100000149372 [1,0,1,0,0,0|1,1,0]=4 454 B17R1.1368 COC(=O)CCc1cccc(c1)OCC(C)C 34a_100000067588_100000210624 [1,0,1,0,0,0|0,0,2]=4 455 B17R1.1368 COC(=O)CCc1cccc(c1)OCC(C)C 7a_100000067588_100000210760 [1,0,1,0,0,0|0,0,2]=4 456 B17R1.1368 COC(=O)CSc1cccc(c1)OCC(C)C 62a_100000747449_200000170005 [1,0,1,0,0,0|1,0,1]=4 457 B17R1.1368 COC(=O)CSc1cccc(c1)OCC(C)C 62a_200000170005_100000747449 [1,0,1,0,0,0|1,0,1]=4 458 B17R1.44 CCCCc1ccc(cc1)NC(=O)C(=O)OC 11a_100000210628_100000024059 [1,0,1,0,0,0|2,0,0]=4 459 B17R1.44 CCCCc1ccc(cc1)NC(=O)C(=O)OC 1626a_100000210628_100000024059 [1,0,1,0,0,0|2,0,0]=4 460 B17R1.44 CCCCc1ccc(cc1)NC(=O)C(=O)OC 527a_100000210628_100000024059 [1,0,1,0,0,0|2,0,0]=4 461 B17R1.44 CCCOc1ccc(cc1)NC(=O)C(=O)NC 1626a_100000748631_100011218921 [1,0,1,0,0,0|2,0,0]=4 462 B17R1.44 CCCOc1ccc(cc1)NC(=O)C(=O)NC 22a_100000748631_100011218921 [1,0,1,0,0,0|2,0,0]=4 463 B17R1.44 CCCOc1ccc(cc1)NC(=O)C(=O)NC 527a_100000748631_100011218921 [1,0,1,0,0,0|2,0,0]=4 464 B17R1.44 CCCOc1ccc(cc1)NC(=O)C(=O)OC 11a_100000748631_100000024059 [1,0,1,0,0,0|1,0,0]=3 465 B17R1.44 CCCOc1ccc(cc1)NC(=O)C(=O)OC 1626a_100000748631_100000024059 [1,0,1,0,0,0|1,0,0]=3 466 B17R1.44 CCCOc1ccc(cc1)NC(=O)C(=O)OC 527a_100000748631_100000024059 [1,0,1,0,0,0|1,0,0]=3 467 B17R1.44 CCCOc1ccc(cc1)NC(C)C(=O)OC 34a_100000748631_100000211248 [1,0,1,0,0,0|0,0,2]=4 468 B17R1.44 CCCSc1ccc(cc1)NC(=O)C(=O)OC 11a_100015183887_100000024059 [1,0,1,0,0,0|1,1,0]=4 469 B17R1.44 CCCSc1ccc(cc1)NC(=O)C(=O)OC 527a_100015183887_100000024059 [1,0,1,0,0,0|1,1,0]=4 470 B17R1.44 COC(=O)C(=O)Nc1ccc(cc1)OCCF 11a_100012282086_100000024059 [1,0,1,0,0,0|2,0,0]=4 471 B17R1.44 COC(=O)C(=O)Nc1ccc(cc1)OCCF 1626a_100012282086_100000024059 [1,0,1,0,0,0|2,0,0]=4 472 B17R1.44 COC(=O)C(=O)Nc1ccc(cc1)OCCF 527a_100012282086_100000024059 [1,0,1,0,0,0|2,0,0]=4 473 B17R1.44 COC(=O)C(=O)Nc1ccc(cc1)OCCO 527a_100000754363_100000024059 [1,0,1,0,0,0|2,0,0]=4 474 B17R1.1191 CCC(=O)C=Cc1ccc(cc1)OCC(C)C 1458a_200011253214_100000210202 [1,0,1,0,0,0|2,0,0]=4 475 B17R1.1191 CCC(=O)C=Cc1ccc(cc1)OCC(C)C 6a_100000169839_100000211110 [1,0,1,0,0,0|2,0,0]=4 476 B17R1.1191 CNC(=O)C=Cc1ccc(cc1)OCC(C)C 11a_106832991635_200011253214 [1,0,1,0,0,0|2,0,0]=4 477 B17R1.1191 CNC(=O)C=Cc1ccc(cc1)OCC(C)C 1626a_100102657272_200011253214 [1,0,1,0,0,0|2,0,0]=4 478 B17R1.1191 CNC(=O)C=Cc1ccc(cc1)OCC(C)C 240690a_100102657272_200011253214 [1,0,1,0,0,0|2,0,0]=4 479 B17R1.1191 CNC(=O)CNc1ccc(cc1)OCC(C)C 27a_100000693194_200000169949 [1,0,1,0,0,0|1,0,1]=4 480 B17R1.1191 CNC(=O)CNc1ccc(cc1)OCC(C)C 34a_200000243789_100000183359 [1,0,1,0,0,0|1,0,1]=4 481 B17R1.1191 COC(=O)/C=C/c1ccc(cc1)SCC(C)C 62a_100000148628_100000210760 [1,0,1,0,0,0|1,1,0]=4 482 B17R1.1191 COC(=O)/C=C/c1ccc(cc1)SCC(C)C 62a_100000210624_100000148628 [1,0,1,0,0,0|1,1,0]=4 483 B17R1.1191 COC(=O)C=Cc1ccc(cc1)OCC(C)C 34a_100000151162_100000210624 [1,0,1,0,0,0|1,0,0]=3 484 B17R1.1191 COC(=O)C=Cc1ccc(cc1)OCC(C)O 34a_100000151162_100011218427 [1,0,1,0,0,0|2,0,0]=4 485 B17R1.1191 COC(=O)C=Cc1ccc(cc1)OC[C@@H](C)O 34a_100000151162_100009817552 [1,0,1,0,0,0|2,0,0]=4 486 B17R1.1191 COC(=O)CCc1ccc(cc1)OCC(C)C 34a_100000032826_100000210624 [1,0,1,0,0,0|1,0,1]=4 487 B17R1.1191 COC(=O)CCc1ccc(cc1)OCC(C)C 7a_100000032826_100000210760 [1,0,1,0,0,0|1,0,1]=4 488 B17R1.1191 COC(=O)CNc1ccc(cc1)OCC(C)C 34a_100016989482_100000210624 [1,0,1,0,0,0|0,0,1]=3 489 B17R1.1191 COC(=O)CNc1ccc(cc1)OCC(C)C 34a_200000243789_100000747449 [1,0,1,0,0,0|0,0,1]=3 490 B17R1.1191 COC(=O)CNc1ccc(cc1)OCC(C)O 34a_100016989482_100011218427 [1,0,1,0,0,0|1,0,1]=4 491 B17R1.1191 COC(=O)CNc1ccc(cc1)OC[C@@H](C)O 34a_100016989482_100009817552 [1,0,1,0,0,0|1,0,1]=4 492 B17R1.1191 COC(=O)CSc1ccc(cc1)OCC(C)C 62a_100000747449_200000169949 [1,0,1,0,0,0|1,0,1]=4 493 B17R1.1191 COC(=O)CSc1ccc(cc1)OCC(C)C 62a_200000169949_100000747449 [1,0,1,0,0,0|1,0,1]=4 494 B17R1.1629 CC=CC(=O)Nc1ccc(cc1)OCC(C)C 11a_200000243789_100000210699 [1,0,1,0,0,0|2,0,0]=4 495 B17R1.1629 CC=CC(=O)Nc1ccc(cc1)OCC(C)C 1626a_200000243789_100000210699 [1,0,1,0,0,0|2,0,0]=4 496 B17R1.1629 CC=CC(=O)Nc1ccc(cc1)OCC(C)C 22a_200000243789_100000210699 [1,0,1,0,0,0|2,0,0]=4 497 B17R1.1629 COCC(=O)Nc1ccc(cc1)OCC(C)C 11a_200000243789_100000210968 [1,0,1,0,0,0|1,0,1]=4 498 B17R1.1629 COCC(=O)Nc1ccc(cc1)OCC(C)C 1626a_200000243789_100000210968 [1,0,1,0,0,0|1,0,1]=4 499 B17R1.1629 COCC(=O)Nc1ccc(cc1)OCC(C)C 22a_200000243789_100000210968 [1,0,1,0,0,0|1,0,1]=4 500 B17R1.1629 COCC(=O)Nc1ccc(cc1)OCC(C)C 527a_200000243789_100000210968 [1,0,1,0,0,0|1,0,1]=4 501 B17R1.9288 C=C(C)C(=O)Nc1ccc(cc1)OCC(C)C 11a_200000243789_100000185857 [1,0,1,0,0,0|2,0,0]=4 502 B17R1.9288 C=C(C)C(=O)Nc1ccc(cc1)OCC(C)C 1626a_200000243789_100000185857 [1,0,1,0,0,0|2,0,0]=4 503 B17R1.9288 C=C(C)C(=O)Nc1ccc(cc1)OCC(C)C 22a_200000243789_100000185857 [1,0,1,0,0,0|2,0,0]=4 504 B17R1.9288 C=C(C)C(=O)Nc1ccc(cc1)OCC(C)C 34a_200000065598_100000210624 [1,0,1,0,0,0|2,0,0]=4 505 B17R1.9288 CC(C)COc1ccc(cc1)NC(=O)C(=O)N 22a_200000243789_100011215815 [1,0,1,0,0,0|2,0,0]=4 506 B17R1.1272 CCCOc1cccc(c1)C[C@H](N)C(=O)OC 34a_100016991376_100000210303 [1,0,1,0,0,0|0,0,2]=4 507 B17R1.25967 CCCOc1ccc(c(c1)C)NCC(=O)OC 34a_100000743293_100000747449 [1,0,1,0,0,0|0,0,2]=4 508 B17R1.25967 CCCOc1ccc(c(c1)C)NCC(=O)OC 7a_100000743293_100000747449 [1,0,1,0,0,0|0,0,2]=4 509 B17R2.1044 CC(C)C=Cc1ccc2[nH]c(cc2c1)C=O 271570a_100016257149_100009820874 [2,0,0,0,0,0|1,0,1]=4 510 B17R2.1044 CC(C)CSc1ccc2[nH]c(cc2c1)C=O 62a_100000210624_100009820874 [2,0,0,0,0,0|0,1,0]=3 511 B17R2.1044 CC(C)CSc1ccc2oc(cc2c1)C=O 62a_100000210624_100000755920 [2,0,0,0,0,0|1,1,0]=4 512 B17R2.1044 CC(C)CSc1ccc2sc(cc2c1)C=O 62a_100000210624_100010238522 [2,0,0,0,0,0|1,1,0]=4 513 B17R2.1044 CC(C)CSc1ccc2sc(cc2c1)C=O 62a_100010238522_100000210760 [2,0,0,0,0,0|1,1,0]=4 514 B17R2.1044 CC(O)CSc1ccc2[nH]c(cc2c1)C=O 62a_100011218427_100009820874 [2,0,0,0,0,0|1,1,0]=4 515 B17R2.1044 C[C@@H](O)CSc1ccc2[nH]c(cc2c1)C=O 62a_100009817552_100009820874 [2,0,0,0,0,0|1,1,0]=4 516 B17R2.46768 CC=Cc1ccc2[nH]c(cc2c1)C(=O)OC 271570a_100016259895_100009814476 [2,0,0,0,0,0|0,0,2]=4 517 B17R2.46768 CCOc1ccc2cc([nH]c2c1)C(=O)OC 34a_100000101677_100000210202 [2,0,0,0,0,0|2,0,0]=4 518 B17R2.46768 CCSc1ccc2[nH]c(cc2c1)C(=O)OC 62a_100000210202_100009814476 [2,0,0,0,0,0|0,1,0]=3 519 B17R2.46768 CCSc1cnc2[nH]c(cc2c1)C(=O)OC 62a_100000210202_100010113459 [2,0,0,0,0,0|1,1,0]=4 520 B17R2.46768 COC(=O)c1cc2cc(ccc2[nH]1)SCF 62a_100015361967_100009814476 [2,0,0,0,0,0|1,1,0]=4 521 B17R2.59666 CCCCc1ccc2[nH]c(cc2c1)C(=O)N 271570a_100020621405_100009814496 [2,0,0,0,0,0|2,0,0]=4 522 B17R2.59666 CCCCc1ccc2oc(cc2c1)C(=O)C 271570a_100020621405_100000181247 [2,0,0,0,0,0|2,0,0]=4 523 B17R2.59666 CCCSc1ccc2[nH]c(cc2c1)C(=O)N 62a_100000210303_100009814496 [2,0,0,0,0,0|1,1,0]=4 524 B17R2.59666 CCCSc1ccc2oc(cc2c1)C(=O)C 62a_100000210303_100000181247 [2,0,0,0,0,0|1,1,0]=4 525 B19R1.4461 CCOC(=O)/C=C/c1cc(cnc1N)SCC(C)C 62a_100000210624_200020645896 [0,1,1,0,0,0|1,1,0]=4 526 B19R1.4461 CCOC(=O)/C=C/c1cc(cnc1N)SCC(C)C 62a_200020645896_100000210760 [0,1,1,0,0,0|1,1,0]=4 527 B19R1.6086 CCNC(=O)C(=O)Nc1ccc(cc1)OCC(C)C 1626a_200000243789_200011297158 [0,1,1,0,0,0|2,0,0]=4 528 B19R1.6086 CCNC(=O)C(=O)Nc1ccc(cc1)OCC(C)C 22a_200000243789_200011297158 [0,1,1,0,0,0|2,0,0]=4 529 B19R1.6086 CCNC(=O)C(=O)Nc1ccc(cc1)OCC(C)C 527a_200000243789_200011297158 [0,1,1,0,0,0|2,0,0]=4 530 B19R1.6086 CCOC(=O)C(=O)Nc1ccc(cc1)OCC(C)C 11a_200000243789_100014798877 [0,1,1,0,0,0|1,0,0]=3 531 B19R1.6086 CCOC(=O)C(=O)Nc1ccc(cc1)OCC(C)C 1626a_200000243789_100014798877 [0,1,1,0,0,0|1,0,0]=3 532 B19R1.6086 CCOC(=O)C(=O)Nc1ccc(cc1)SCC(C)C 62a_100000210624_200000187817 [0,1,1,0,0,0|1,1,0]=4 533 B19R1.6086 CCOC(=O)C(C)Nc1ccc(cc1)OCC(C)C 34a_200000243789_100011216346 [0,1,1,0,0,0|0,0,2]=4 534 B19R1.6086 CCOC(=O)C(F)Nc1ccc(cc1)OCC(C)C 34a_200000243789_100000760018 [0,1,1,0,0,0|1,0,1]=4 535 B19R1.6086 CO/N=C(\C)/C(=O)Nc1ccc(cc1)OCC(C)C 11a_200000243789_100160996864 [0,1,1,0,0,0|2,0,0]=4 536 B19R1.6086 CO/N=C(\C)/C(=O)Nc1ccc(cc1)OCC(C)C 22a_200000243789_100160996864 [0,1,1,0,0,0|2,0,0]=4 537 B19R1.7085 COC(=O)C(C)N(C)c1ccc(cc1)OCC(C)C 27a_100000725243_200000169949 [0,1,1,0,0,0|0,0,2]=4 538 B19R1.26125 CC(C)COc1ccc(cc1)NC(=O)C(=O)N(C)C 1626a_200000243789_100011218876 [0,1,1,0,0,0|2,0,0]=4 539 B19R1.26125 CC(C)COc1ccc(cc1)NC(=O)C(=O)N(C)C 22a_200000243789_100011218876 [0,1,1,0,0,0|2,0,0]=4 540 B19R1.26125 CC(C)COc1ccc(cc1)NC(=O)C(=O)N(C)C 527a_200000243789_100011218876 [0,1,1,0,0,0|2,0,0]=4 541 B19R1.63226 CCC(Nc1ccc(cc1)OCC(C)C)C(=O)OC 34a_200000243789_100000235869 [0,1,1,0,0,0|0,0,2]=4 542 B19R1.63226 COC(=O)C(=Cc1ccc(cc1)OCC(C)C)C#N 6a_100000169839_100000210149 [0,1,1,0,0,0|1,0,1]=4 543 B19R1.63226 COC(=O)C(C=O)Nc1ccc(cc1)OCC(C)C 34a_200000243789_100000046368 [0,1,1,0,0,0|0,0,1]=3 544 B19R1.63226 COC(=O)C(C=O)Sc1ccc(cc1)OCC(C)C 62a_100000046368_200000169949 [0,1,1,0,0,0|1,0,1]=4 545 B19R1.63226 COC(=O)C(C=O)Sc1ccc(cc1)OCC(C)C 62a_200000169949_100000046368 [0,1,1,0,0,0|1,0,1]=4 546 B19R1.63226 COC(=O)C(CO)Nc1ccc(cc1)OCC(C)C 34a_200000243789_100012276630 [0,1,1,0,0,0|0,0,2]=4 547 B19R1.63226 COC(=O)C(Nc1ccc(cc1)OCC(C)C)OC 34a_200000243789_100000101307 [0,1,1,0,0,0|0,0,2]=4 548 B19R1.408169 COC(=O)C(C)(F)Nc1ccc(cc1)OCC(C)C 34a_200000243789_200009867631 [0,1,1,0,0,0|0,0,2]=4 549 B19R1.408169 COC(=O)C(F)(F)Nc1ccc(cc1)OCC(C)C 34a_200000243789_100000211177 [0,1,1,0,0,0|1,0,1]=4 550 B19R1.925 CCC(C)COc1cccc(c1)C[C@H](N)C(=O)OC 34a_100016991376_100000748023 [0,1,1,0,0,0|0,0,2]=4 551 B19R1.925 CC[C@H](C)COc1cccc(c1)C[C@H](N)C(=O)OC 34a_100016991376_100009816398 [0,1,1,0,0,0|0,0,2]=4 552 B19R1.925 COC(=O)[C@@H](N)Cc1cccc(c1)OC[C@@H](C)CO 34a_100016991376_100000059175 [0,1,1,0,0,0|0,0,2]=4 553 B19R1.7108 COC(=O)C(C)C(=O)c1cccc(c1)OCC(C)C 1458a_100000185228_100000211248 [0,1,1,0,0,0|1,0,1]=4 554 B19R1.63243 CCC(=O)C(=Cc1cccc(c1)OCC(C)C)C#N 6a_100000170242_100011245040 [0,1,1,0,0,0|1,0,1]=4 555 B19R1.63243 COC(=O)C(=Cc1cccc(c1)OCC(C)C)C#N 6a_100000170242_100000210149 [0,1,1,0,0,0|0,0,1]=3 556 B19R1.147191 COC(=O)[C@@H](N)Cc1cccc(c1)OCC(C)(C)C 34a_100016991376_100011219605 [0,1,1,0,0,0|0,0,2]=4 557 B19R1.147191 COC(=O)[C@@H](N)Cc1cccc(c1)OCC(C)(C)F 34a_100016991376_100011997219 [0,1,1,0,0,0|0,0,2]=4 558 B19R1.147191 COC(=O)[C@@H](N)Cc1cccc(c1)OCC(C)(C)O 34a_100016991376_100000764493 [0,1,1,0,0,0|0,0,2]=4 559 B19R1.37536 COC(=O)CN(C)c1ccc(cc1Br)OCC(C)C 27a_100000198492_201991077984 [0,1,1,0,0,0|1,0,1]=4 560 B19R1.39074 CCOC(=O)C=Cc1ccc(cc1Br)OCC(C)C 271570a_100010199719_201991077984 [0,1,1,0,0,0|2,0,0]=4 561 B19R2.49317 CCCCc1cc2cc([nH]c2cc1F)C(=O)OC 271570a_100020621405_200020683298 [1,1,0,0,0,0|1,0,0]=3 562 B19R2.49317 CCCSc1cc2cc([nH]c2cc1F)C(=O)OC 62a_100000210303_200020683298 [1,1,0,0,0,0|0,1,0]=3 563 B19R2.49317 COC(=O)c1cc2cc(c(cc2[nH]1)F)SCCF 62a_100011217306_200020683298 [1,1,0,0,0,0|1,1,0]=4 564 B19R2.49317 COC(=O)c1cc2cc(c(cc2[nH]1)F)SCCO 62a_100000211926_200020683298 [1,1,0,0,0,0|1,1,0]=4 565 B19R2.49317 COC(=O)c1cc2cc(c(cc2[nH]1)F)SCSC 62a_100011218213_200020683298 [1,1,0,0,0,0|1,1,0]=4 566 B19R2.49317 COCSc1cc2cc([nH]c2cc1F)C(=O)OC 62a_100000766300_200020683298 [1,1,0,0,0,0|1,1,0]=4 567 B19R2.161164 CCCCc1ccc2sc(c(c2c1)N)C(=O)OC 271570a_100020621405_100010179907 [1,1,0,0,0,0|2,0,0]=4 568 B19R2.197765 C#CCCSc1ccc2[nH]c(cc2c1)C(=O)OC 62a_100000688953_100009814476 [1,1,0,0,0,0|0,1,1]=4 569 B19R2.197765 C/C=C/CSc1ccc2[nH]c(cc2c1)C(=O)OC 62a_100102629194_100009814476 [1,1,0,0,0,0|0,1,1]=4 570 B19R2.197765 C=CCCSc1ccc2[nH]c(cc2c1)C(=O)OC 62a_100000754431_100009814476 [1,1,0,0,0,0|0,1,1]=4 571 B19R2.197765 CC#CCSc1ccc2[nH]c(cc2c1)C(=O)OC 62a_100000748600_100009814476 [1,1,0,0,0,0|0,1,1]=4 572 B19R2.197765 CC=CCSc1ccc2[nH]c(cc2c1)C(=O)OC 62a_100000070051_100009814476 [1,1,0,0,0,0|0,1,1]=4 573 B19R2.197765 CCCC=Cc1ccc2[nH]c(cc2c1)C(=O)OC 271570a_100016258520_100009814476 [1,1,0,0,0,0|1,0,0]=3 574 B19R2.197765 CCCC=Cc1ccc2sc(cc2c1)C(=O)OC 271570a_100016258520_100009812836 [1,1,0,0,0,0|2,0,0]=4 575 B19R2.197765 CCCC=Cc1cnc2[nH]c(cc2c1)C(=O)OC 271570a_100016258520_100010113459 [1,1,0,0,0,0|2,0,0]=4 576 B19R2.197765 CCCCOc1ccc2cc([nH]c2c1)C(=O)OC 34a_100000101677_100000210210 [1,1,0,0,0,0|2,0,0]=4 577 B19R2.197765 CCCCSc1ccc2[nH]c(cc2c1)C(=O)OC 62a_100000210211_100009814476 [1,1,0,0,0,0|0,1,0]=3 578 B19R2.197765 CCCCSc1cnc2[nH]c(cc2c1)C(=O)OC 62a_100000210211_100010113459 [1,1,0,0,0,0|1,1,0]=4 579 B19R2.197765 CCOC=Cc1ccc2[nH]c(cc2c1)C(=O)OC 271570a_100016256518_100009814476 [1,1,0,0,0,0|1,0,1]=4 580 B19R2.197765 CCOCSc1ccc2[nH]c(cc2c1)C(=O)OC 62a_100000739092_100009814476 [1,1,0,0,0,0|0,1,0]=3 581 B19R2.197765 CCOCSc1cnc2[nH]c(cc2c1)C(=O)OC 62a_100000739092_100010113459 [1,1,0,0,0,0|1,1,0]=4 582 B19R2.197765 COC(=O)c1cc2cc(ccc2[nH]1)SCCC#N 62a_100011215226_100009814476 [1,1,0,0,0,0|0,1,1]=4 583 B19R2.197765 COC(=O)c1cc2cc(ccc2[nH]1)SCCCF 62a_100011934791_100009814476 [1,1,0,0,0,0|0,1,0]=3 584 B19R2.197765 COC(=O)c1cc2cc(ccc2[nH]1)SCCCO 62a_100011215043_100009814476 [1,1,0,0,0,0|0,1,0]=3 585 B19R2.197765 COC(=O)c1cc2cc(ccc2[nH]1)SCCSC 62a_100000212216_100009814476 [1,1,0,0,0,0|0,1,0]=3 586 B19R2.197765 COC(=O)c1cc2cc(cnc2[nH]1)SCCCF 62a_100011934791_100010113459 [1,1,0,0,0,0|1,1,0]=4 587 B19R2.197765 COC(=O)c1cc2cc(cnc2[nH]1)SCCCO 62a_100011215043_100010113459 [1,1,0,0,0,0|1,1,0]=4 588 B19R2.197765 COC(=O)c1cc2cc(cnc2[nH]1)SCCSC 62a_100000212216_100010113459 [1,1,0,0,0,0|1,1,0]=4 589 B19R2.197765 COC(=O)c1cc2ccc(cc2[nH]1)OCCCF 34a_100000101677_100011934791 [1,1,0,0,0,0|2,0,0]=4 590 B19R2.197765 COC(=O)c1cc2ccc(cc2[nH]1)OCCCO 34a_100000101677_100000230001 [1,1,0,0,0,0|2,0,0]=4 591 B19R2.197765 COC(=O)c1cc2ccc(cc2[nH]1)OCCSC 34a_100000101677_100000212216 [1,1,0,0,0,0|2,0,0]=4 592 B19R2.197765 COCC=Cc1ccc2[nH]c(cc2c1)C(=O)OC 271570a_100016286323_100009814476 [1,1,0,0,0,0|1,0,1]=4 593 B19R2.197765 COCCOc1ccc2cc([nH]c2c1)C(=O)OC 34a_100000101677_100011201679 [1,1,0,0,0,0|2,0,0]=4 594 B19R2.197765 COCCSc1ccc2[nH]c(cc2c1)C(=O)OC 62a_100000233755_100009814476 [1,1,0,0,0,0|0,1,0]=3 595 B19R2.197765 COCCSc1cnc2[nH]c(cc2c1)C(=O)OC 62a_100000233755_100010113459 [1,1,0,0,0,0|1,1,0]=4 596 B19R2.246508 CCC(C)Oc1ccc2cc([nH]c2c1)C(=O)OC 34a_100000101677_100011215416 [1,1,0,0,0,0|2,0,0]=4 597 B19R2.246508 CCC(C)Sc1ccc2[nH]c(cc2c1)C(=O)OC 62a_100000758301_100009814476 [1,1,0,0,0,0|0,1,0]=3 598 B19R2.246508 CCC(C)Sc1cnc2[nH]c(cc2c1)C(=O)OC 62a_100000758301_100010113459 [1,1,0,0,0,0|1,1,0]=4 599 B19R2.246508 COC(=O)c1cc2cc(ccc2[nH]1)SC(C)CO 62a_100012180447_100009814476 [1,1,0,0,0,0|1,1,0]=4 600 B19R2.246508 COC(=O)c1cc2cc(ccc2[nH]1)SC(C)OC 62a_100009879195_100009814476 [1,1,0,0,0,0|1,1,0]=4 601 B19R2.246508 COC(=O)c1cc2cc(ccc2[nH]1)S[C@H](C)CO 62a_100016084084_100009814476 [1,1,0,0,0,0|1,1,0]=4 602 B19R2.1199127 C#CCOc1ccc2[nH]c(cc2c1)C(=O)OCC 7a_100000042727_100000038162 [1,1,0,0,0,0|0,0,2]=4 603 B19R2.1199127 C=CCOc1ccc2[nH]c(cc2c1)C(=O)OCC 7a_100000042727_100015514636 [1,1,0,0,0,0|0,0,2]=4 604 B19R2.1199127 CCCCc1cc2cc([nH]c2cn1)C(=O)OCC 271570a_100020621405_100010255194 [1,1,0,0,0,0|2,0,0]=4 605 B19R2.1199127 CCCCc1ccc2[nH]c(cc2c1)C(=O)OCC 271570a_100020621405_100009814477 [1,1,0,0,0,0|1,0,0]=3 606 B19R2.1199127 CCCCc1ccc2[nH]c(nc2c1)C(=O)OCC 271570a_100020621405_100011850276 [1,1,0,0,0,0|2,0,0]=4 607 B19R2.1199127 CCCCc1ccc2oc(cc2c1)C(=O)OCC 271570a_100020621405_100009814044 [1,1,0,0,0,0|2,0,0]=4 608 B19R2.1199127 CCCCc1ccc2sc(cc2c1)C(=O)OCC 271570a_100020621405_100010161204 [1,1,0,0,0,0|2,0,0]=4 609 B19R2.1199127 CCCOc1ccc2[nH]c(cc2c1)C(=O)OCC 7a_100000042727_100000210303 [1,1,0,0,0,0|0,0,0]=2 610 B19R2.1199127 CCCOc1ccc2cc(oc2c1)C(=O)OCC 7a_200010074505_100000210303 [1,1,0,0,0,0|2,0,0]=4 611 B19R2.1199127 CCCSc1cc2cc([nH]c2cn1)C(=O)OCC 62a_100000210303_100010212348 [1,1,0,0,0,0|1,1,0]=4 612 B19R2.1199127 CCCSc1ccc2[nH]c(cc2c1)C(=O)OCC 62a_100000210303_100009814477 [1,1,0,0,0,0|0,1,0]=3 613 B19R2.1199127 CCCSc1ccc2oc(cc2c1)C(=O)OCC 62a_100000210303_100009814044 [1,1,0,0,0,0|1,1,0]=4 614 B19R2.1199127 CCOC(=O)c1cc2cc(ccc2[nH]1)OCC#N 7a_100000042727_100011215382 [1,1,0,0,0,0|1,0,1]=4 615 B19R2.1199127 CCOC(=O)c1cc2cc(ccc2[nH]1)OCC=O 7a_100000042727_200015260668 [1,1,0,0,0,0|1,0,1]=4 616 B19R2.1199127 CCOC(=O)c1cc2cc(ccc2[nH]1)OCCF 7a_100000042727_100011217306 [1,1,0,0,0,0|1,0,0]=3 617 B19R2.1199127 CCOC(=O)c1cc2cc(ccc2[nH]1)OCCO 7a_100000042727_100000211926 [1,1,0,0,0,0|1,0,0]=3 618 B19R2.1199127 CCOC(=O)c1cc2cc(ccc2[nH]1)SCCF 62a_100011217306_100009814477 [1,1,0,0,0,0|1,1,0]=4 619 B19R2.1199127 CCOC(=O)c1cc2cc(ccc2[nH]1)SCCO 62a_100000211926_100009814477 [1,1,0,0,0,0|1,1,0]=4 620 B19R2.1199127 CCOC(=O)c1cc2cc(ccc2[nH]1)SCOC 62a_100000766300_100009814477 [1,1,0,0,0,0|1,1,0]=4 621 B19R2.1199127 CCOC(=O)c1cc2cc(ccc2[nH]1)SCSC 62a_100011218213_100009814477 [1,1,0,0,0,0|1,1,0]=4 622 B19R2.165757 CC(=O)c1cc2cc(ccc2o1)SC[C@@H](C)CO 62a_100000059175_100000181247 [1,1,0,0,0,0|1,1,0]=4 623 B19R2.165757 CCC(C)CSc1ccc2[nH]c(cc2c1)C(=O)N 62a_100000748023_100009814496 [1,1,0,0,0,0|1,1,0]=4 624 B19R2.165757 CCC(C)CSc1ccc2oc(cc2c1)C(=O)C 62a_100000748023_100000181247 [1,1,0,0,0,0|1,1,0]=4 625 B19R2.165757 CC[C@H](C)CSc1ccc2[nH]c(cc2c1)C(=O)N 62a_100009816398_100009814496 [1,1,0,0,0,0|1,1,0]=4 626 B19R2.165757 CC[C@H](C)CSc1ccc2oc(cc2c1)C(=O)C 62a_100009816398_100000181247 [1,1,0,0,0,0|1,1,0]=4 627 B19R2.165757 C[C@@H](CO)CSc1ccc2[nH]c(cc2c1)C(=O)N 62a_100000059175_100009814496 [1,1,0,0,0,0|1,1,0]=4 628 B19R2.469869 CC(=O)c1cc2cc(ccc2o1)[C@@H](N)CC(C)C 271570a_100015190218_100000181247 [1,1,0,0,0,0|2,0,0]=4 629 B19R2.469869 CC(C)C[C@H](N)c1ccc2[nH]c(cc2c1)C(=O)N 271570a_100015190218_100009814496 [1,1,0,0,0,0|2,0,0]=4 630 B19R2.1026205 CC(=O)c1cc2cc(ccc2o1)SCC(C)(C)C 62a_100011219605_100000181247 [1,1,0,0,0,0|1,1,0]=4 631 B19R2.1026205 CC(=O)c1cc2cc(ccc2o1)SCC(C)(C)F 62a_100011997219_100000181247 [1,1,0,0,0,0|1,1,0]=4 632 B19R2.1026205 CC(=O)c1cc2cc(ccc2o1)SCC(C)(C)O 62a_100000764493_100000181247 [1,1,0,0,0,0|1,1,0]=4 633 B19R2.1026205 CC(C)(C)CSc1ccc2[nH]c(cc2c1)C(=O)N 62a_100011219605_100009814496 [1,1,0,0,0,0|1,1,0]=4 634 B19R2.1026205 CC(C)(F)CSc1ccc2[nH]c(cc2c1)C(=O)N 62a_100011997219_100009814496 [1,1,0,0,0,0|1,1,0]=4 635 B19R2.1026205 CC(C)(O)CSc1ccc2[nH]c(cc2c1)C(=O)N 62a_100000764493_100009814496 [1,1,0,0,0,0|1,1,0]=4 636 B19R2.131914 CCOC(=O)c1cc2cc(ccc2[nH]1)C=C(C)C 271570a_100102525489_100009814477 [0,1,0,0,1,0|0,0,2]=4 637 B19R2.131914 CCOC(=O)c1cc2cc(ccc2[nH]1)OC(C)C 7a_100000042727_100000210206 [0,1,0,0,1,0|0,0,0]=2 638 B19R2.131914 CCOC(=O)c1cc2cc(ccc2[nH]1)SC(C)C 62a_100000210206_100009814477 [0,1,0,0,1,0|0,1,0]=3 639 B19R2.131914 CCOC(=O)c1cc2cc(ccc2o1)SC(C)C 62a_100000210206_100009814044 [0,1,0,0,1,0|1,1,0]=4 640 B19R2.131914 CCOC(=O)c1cc2cc(ncc2[nH]1)SC(C)C 62a_100000210206_100010212348 [0,1,0,0,1,0|1,1,0]=4 641 B19R2.131914 CCOC(=O)c1cc2ccc(cc2o1)OC(C)C 7a_200010074505_100000210206 [0,1,0,0,1,0|2,0,0]=4 642 B19R2.156428 COC(=O)c1cc2cc(ccc2[nH]1)SC(C)(C)C 62a_100000211941_100009814476 [0,1,0,0,1,0|0,1,0]=3 643 B19R2.156428 COC(=O)c1cc2cc(cnc2[nH]1)SC(C)(C)C 62a_100000211941_100010113459 [0,1,0,0,1,0|1,1,0]=4 644 B19R2.156428 COC(=O)c1cc2ccc(cc2[nH]1)OC(C)(C)C 34a_100000101677_100000210625 [0,1,0,0,1,0|2,0,0]=4 645 B19R2.156440 COC(=O)c1cc2cc(ccc2[nH]1)C(=C(C)C)C 271570a_200000049429_100009814476 [0,1,0,0,1,0|0,0,2]=4 646 B19R2.1787572 COC(=O)c1cc2cc(c(cc2[nH]1)F)C=C(C)C 271570a_100102525489_200020683298 [0,1,0,0,1,0|0,0,2]=4 647 B19R2.1787572 COC(=O)c1cc2cc(c(cc2[nH]1)F)SC(C)C 62a_100000210206_200020683298 [0,1,0,0,1,0|0,1,0]=3 648 B21R2.315799 CCOC(=O)c1cc2cc(ccc2cn1)SCC(C)C 62a_100000210624_100010977338 [0,1,0,0,0,1|0,1,1]=4 649 B21R2.315799 CCOC(=O)c1cc2cc(ccc2cn1)SCC(C)C 62a_100010977338_100000210760 [0,1,0,0,0,1|0,1,1]=4 650 B21R2.315799 CCOC(=O)c1cnc2ccc(cc2c1)NCC(C)C 27a_100000210953_100010248619 [0,1,0,0,0,1|1,0,1]=4 651 B21R2.315799 CCOC(=O)c1cnc2ccc(cc2c1)OCC(C)C 7a_200010074504_100000210760 [0,1,0,0,0,1|0,0,1]=3 652 B21R2.315799 CCOC(=O)c1cnc2ccc(cc2c1)OCC(C)O 7a_200010074504_100011218427 [0,1,0,0,0,1|1,0,1]=4 653 B21R2.315799 CCOC(=O)c1cnc2ccc(cc2c1)OC[C@@H](C)O 7a_200010074504_100009817552 [0,1,0,0,0,1|1,0,1]=4 654 B21R2.315799 CCOC(=O)c1cnc2ccc(cc2c1)SCC(C)C 62a_100000210624_100010248619 [0,1,0,0,0,1|0,1,1]=4 655 B21R2.376979 COC(=O)C1=Cc2cc(ccc2OC1)[C@@H](N)CC(C)C 271570a_100015190218_100011192627 [0,1,0,0,0,1|2,0,0]=4 656 B21R2.379599 COC(=O)c1cc2cc(ccc2cc1O)SCC(C)C 62a_100000210624_100010882380 [0,1,0,0,0,1|1,1,0]=4 657 B21R2.405065 CCC(C)COc1ccc2ccc(cc2c1)C(=O)OC 34a_100010238490_100000748023 [0,1,0,0,0,1|1,0,0]=3 658 B21R2.405065 CCC(C)COc1ccc2ccc(cc2c1)C(=O)OC 7a_100010238490_100000748023 [0,1,0,0,0,1|1,0,0]=3 659 B21R2.405065 CCC(C)CSc1ccc2c(c1)C=C(CO2)C(=O)OC 62a_100011192627_100000748023 [0,1,0,0,0,1|1,1,0]=4 660 B21R2.405065 CCC(O)COc1ccc2ccc(cc2c1)C(=O)OC 34a_100010238490_100011218378 [0,1,0,0,0,1|2,0,0]=4 661 B21R2.405065 CCC(O)COc1ccc2ccc(cc2c1)C(=O)OC 7a_100010238490_100011218378 [0,1,0,0,0,1|2,0,0]=4 662 B21R2.405065 CC[C@H](C)COc1ccc2ccc(cc2c1)C(=O)OC 34a_100010238490_100009816398 [0,1,0,0,0,1|1,0,0]=3 663 B21R2.405065 CC[C@H](C)COc1ccc2ccc(cc2c1)C(=O)OC 7a_100010238490_100009816398 [0,1,0,0,0,1|1,0,0]=3 664 B21R2.405065 CC[C@H](C)CSc1ccc2c(c1)C=C(CO2)C(=O)OC 62a_100011192627_100009816398 [0,1,0,0,0,1|1,1,0]=4 665 B21R2.405065 COC(=O)C1=Cc2cc(ccc2OC1)SC[C@@H](C)CO 62a_100011192627_100000059175 [0,1,0,0,0,1|1,1,0]=4 666 B21R2.405065 COC(=O)c1ccc2ccc(cc2c1)OCC(O)CO 34a_100010238490_100011219619 [0,1,0,0,0,1|2,0,0]=4 667 B21R2.405065 COC(=O)c1ccc2ccc(cc2c1)OCC(O)CO 7a_100010238490_100011219619 [0,1,0,0,0,1|2,0,0]=4 668 B21R2.405065 COC(=O)c1ccc2ccc(cc2c1)OC[C@@H](C)CO 34a_100010238490_100000059175 [0,1,0,0,0,1|1,0,0]=3 669 B21R2.405065 COC(=O)c1ccc2ccc(cc2c1)OC[C@@H](C)CO 7a_100010238490_100000059175 [0,1,0,0,0,1|1,0,0]=3 670 B21R2.405065 COC(=O)c1ccc2ccc(cc2c1)OC[C@@H](O)CF 34a_100010238490_100015614560 [0,1,0,0,0,1|2,0,0]=4 671 B21R2.405065 COC(=O)c1ccc2ccc(cc2c1)OC[C@@H](O)CF 7a_100010238490_100015614560 [0,1,0,0,0,1|2,0,0]=4 672 B21R2.405065 COC(=O)c1ccc2ccc(cc2c1)OC[C@@H](O)CO 34a_100010238490_100009815848 [0,1,0,0,0,1|2,0,0]=4 673 B21R2.405065 COC(=O)c1ccc2ccc(cc2c1)OC[C@@H](O)CO 7a_100010238490_100009815848 [0,1,0,0,0,1|2,0,0]=4 674 B21R2.882498 COC(=O)C1=Cc2cc(ccc2OC1)SCC(C)(C)C 62a_100011192627_100011219605 [0,1,0,0,0,1|1,1,0]=4 675 B21R2.882498 COC(=O)C1=Cc2cc(ccc2OC1)SCC(C)(C)F 62a_100011192627_100011997219 [0,1,0,0,0,1|1,1,0]=4 676 B21R2.882498 COC(=O)C1=Cc2cc(ccc2OC1)SCC(C)(C)O 62a_100011192627_100000764493 [0,1,0,0,0,1|1,1,0]=4 677 B21R2.882498 COC(=O)c1ccc2ccc(cc2c1)OCC(C)(C)C 34a_100010238490_100011219605 [0,1,0,0,0,1|1,0,0]=3 678 B21R2.882498 COC(=O)c1ccc2ccc(cc2c1)OCC(C)(C)F 34a_100010238490_100011997219 [0,1,0,0,0,1|1,0,0]=3 679 B21R2.882498 COC(=O)c1ccc2ccc(cc2c1)OCC(C)(C)O 34a_100010238490_100000764493 [0,1,0,0,0,1|1,0,0]=3 680 B21R2.882498 COC(=O)c1ccc2ccc(cc2c1)OCC(C)(C)O 7a_100010238490_100000764493 [0,1,0,0,0,1|1,0,0]=3 681 B21R2.882498 COC(=O)c1ccc2ccc(cc2c1)OC[Si](C)(C)C 7a_100010238490_100000233785 [0,1,0,0,0,1|1,1,0]=4 682 B21R2.315847 CCOC(=O)c1cc2ccc(cc2cn1)SCC(C)C 62a_100000210624_100010175398 [0,1,0,0,0,1|1,1,0]=4 683 B21R2.315847 CCOC(=O)c1cc2ccc(cc2cn1)SCC(C)C 62a_100010175398_100000210760 [0,1,0,0,0,1|1,1,0]=4 684 B21R2.315847 CCOC(=O)c1ccc2cc(ccc2c1)OCC(C)C 7a_100000026999_100000210760 [0,1,0,0,0,1|1,0,0]=3 685 B21R2.315847 CCOC(=O)c1ccc2cc(ccc2c1)OCC(C)O 7a_100000026999_100011218427 [0,1,0,0,0,1|2,0,0]=4 686 B21R2.315847 CCOC(=O)c1ccc2cc(ccc2c1)OC[C@@H](C)O 7a_100000026999_100009817552 [0,1,0,0,0,1|2,0,0]=4 687 B21R2.315847 CCOC(=O)c1ccc2cc(ccc2c1)SCC(C)C 62a_100000210624_100012350494 [0,1,0,0,0,1|1,1,0]=4 688 B21R2.315847 CCOC(=O)c1cnc2cc(ccc2c1)NCC(C)C 27a_100000210953_100010074318 [0,1,0,0,0,1|2,0,0]=4 689 B21R2.315847 CCOC(=O)c1cnc2cc(ccc2c1)SCC(C)C 62a_100000210624_100010074318 [0,1,0,0,0,1|1,1,0]=4 690 B21R2.405086 CCC(C)CNc1ccc2cc(cnc2c1)C(=O)OC 27a_100020588543_100010209555 [0,1,0,0,0,1|2,0,0]=4 691 B21R2.405086 CCC(C)COc1ccc2cc(ccc2c1)C(=O)OC 34a_100000026998_100000748023 [0,1,0,0,0,1|1,0,0]=3 692 B21R2.405086 CCC(C)COc1ccc2cc(ccc2c1)C(=O)OC 7a_100000026998_100000748023 [0,1,0,0,0,1|1,0,0]=3 693 B21R2.405086 CCC(C)CSc1ccc2cc(ccc2c1)C(=O)OC 62a_100000748023_100011218122 [0,1,0,0,0,1|1,1,0]=4 694 B21R2.405086 CCC(C)CSc1ccc2cc(ccc2c1)C(=O)OC 62a_100011218122_100000748023 [0,1,0,0,0,1|1,1,0]=4 695 B21R2.405086 CCC(C)CSc1ccc2cc(cnc2c1)C(=O)OC 62a_100000748023_100010209555 [0,1,0,0,0,1|1,1,0]=4 696 B21R2.405086 CCC(C)CSc1ccc2cc(cnc2c1)C(=O)OC 62a_100010209555_100000748023 [0,1,0,0,0,1|1,1,0]=4 697 B21R2.405086 CCC(C)CSc1ccc2nc(ccc2c1)C(=O)OC 62a_100012354044_100000748023 [0,1,0,0,0,1|0,1,1]=4 698 B21R2.405086 CCC(O)COc1ccc2cc(ccc2c1)C(=O)OC 34a_100000026998_100011218378 [0,1,0,0,0,1|2,0,0]=4 699 B21R2.405086 CCC(O)COc1ccc2cc(ccc2c1)C(=O)OC 7a_100000026998_100011218378 [0,1,0,0,0,1|2,0,0]=4 700 B21R2.405086 CC[C@H](C)COc1ccc2cc(ccc2c1)C(=O)OC 34a_100000026998_100009816398 [0,1,0,0,0,1|1,0,0]=3 701 B21R2.405086 CC[C@H](C)COc1ccc2cc(ccc2c1)C(=O)OC 7a_100000026998_100009816398 [0,1,0,0,0,1|1,0,0]=3 702 B21R2.405086 CC[C@H](C)CSc1ccc2cc(ccc2c1)C(=O)OC 62a_100009816398_100011218122 [0,1,0,0,0,1|1,1,0]=4 703 B21R2.405086 CC[C@H](C)CSc1ccc2cc(ccc2c1)C(=O)OC 62a_100011218122_100009816398 [0,1,0,0,0,1|1,1,0]=4 704 B21R2.405086 CC[C@H](C)CSc1ccc2cc(cnc2c1)C(=O)OC 62a_100009816398_100010209555 [0,1,0,0,0,1|1,1,0]=4 705 B21R2.405086 CC[C@H](C)CSc1ccc2cc(cnc2c1)C(=O)OC 62a_100010209555_100009816398 [0,1,0,0,0,1|1,1,0]=4 706 B21R2.405086 CC[C@H](C)CSc1ccc2nc(ccc2c1)C(=O)OC 62a_100012354044_100009816398 [0,1,0,0,0,1|0,1,1]=4 707 B21R2.405086 COC(=O)c1ccc2cc(ccc2c1)OCC(O)CO 34a_100000026998_100011219619 [0,1,0,0,0,1|2,0,0]=4 708 B21R2.405086 COC(=O)c1ccc2cc(ccc2c1)OCC(O)CO 7a_100000026998_100011219619 [0,1,0,0,0,1|2,0,0]=4 709 B21R2.405086 COC(=O)c1ccc2cc(ccc2c1)OC[C@@H](C)CO 34a_100000026998_100000059175 [0,1,0,0,0,1|1,0,0]=3 710 B21R2.405086 COC(=O)c1ccc2cc(ccc2c1)OC[C@@H](C)CO 7a_100000026998_100000059175 [0,1,0,0,0,1|1,0,0]=3 711 B21R2.405086 COC(=O)c1ccc2cc(ccc2c1)OC[C@@H](O)CF 34a_100000026998_100015614560 [0,1,0,0,0,1|2,0,0]=4 712 B21R2.405086 COC(=O)c1ccc2cc(ccc2c1)OC[C@@H](O)CF 7a_100000026998_100015614560 [0,1,0,0,0,1|2,0,0]=4 713 B21R2.405086 COC(=O)c1ccc2cc(ccc2c1)OC[C@@H](O)CO 34a_100000026998_100009815848 [0,1,0,0,0,1|2,0,0]=4 714 B21R2.405086 COC(=O)c1ccc2cc(ccc2c1)OC[C@@H](O)CO 7a_100000026998_100009815848 [0,1,0,0,0,1|2,0,0]=4 715 B21R2.405086 COC(=O)c1ccc2cc(ccc2c1)SC[C@@H](C)CO 62a_100000059175_100011218122 [0,1,0,0,0,1|1,1,0]=4 716 B21R2.405086 COC(=O)c1ccc2cc(ccc2c1)SC[C@@H](C)CO 62a_100011218122_100000059175 [0,1,0,0,0,1|1,1,0]=4 717 B21R2.405086 COC(=O)c1ccc2cc(ccc2n1)SC[C@@H](C)CO 62a_100012354044_100000059175 [0,1,0,0,0,1|0,1,1]=4 718 B21R2.405086 COC(=O)c1cnc2cc(ccc2c1)NCC(C)CO 27a_100000744482_100010209555 [0,1,0,0,0,1|2,0,0]=4 719 B21R2.405086 COC(=O)c1cnc2cc(ccc2c1)NC[C@@H](C)OC 27a_100020591295_100010209555 [0,1,0,0,0,1|2,0,0]=4 720 B21R2.405086 COC(=O)c1cnc2cc(ccc2c1)SC[C@@H](C)CO 62a_100000059175_100010209555 [0,1,0,0,0,1|1,1,0]=4 721 B21R2.405086 COC(=O)c1cnc2cc(ccc2c1)SC[C@@H](C)CO 62a_100010209555_100000059175 [0,1,0,0,0,1|1,1,0]=4 722 B21R2.882771 COC(=O)c1ccc2cc(ccc2c1)OCC(C)(C)C 34a_100000026998_100011219605 [0,1,0,0,0,1|1,0,0]=3 723 B21R2.882771 COC(=O)c1ccc2cc(ccc2c1)OCC(C)(C)F 34a_100000026998_100011997219 [0,1,0,0,0,1|1,0,0]=3 724 B21R2.882771 COC(=O)c1ccc2cc(ccc2c1)OCC(C)(C)O 34a_100000026998_100000764493 [0,1,0,0,0,1|1,0,0]=3 725 B21R2.882771 COC(=O)c1ccc2cc(ccc2c1)OCC(C)(C)O 7a_100000026998_100000764493 [0,1,0,0,0,1|1,0,0]=3 726 B21R2.882771 COC(=O)c1ccc2cc(ccc2c1)OC[Si](C)(C)C 7a_100000026998_100000233785 [0,1,0,0,0,1|1,1,0]=4 727 B21R2.882771 COC(=O)c1ccc2cc(ccc2c1)SCC(C)(C)C 62a_100011218122_100011219605 [0,1,0,0,0,1|1,1,0]=4 728 B21R2.882771 COC(=O)c1ccc2cc(ccc2c1)SCC(C)(C)C 62a_100011219605_100011218122 [0,1,0,0,0,1|1,1,0]=4 729 B21R2.882771 COC(=O)c1ccc2cc(ccc2c1)SCC(C)(C)F 62a_100011218122_100011997219 [0,1,0,0,0,1|1,1,0]=4 730 B21R2.882771 COC(=O)c1ccc2cc(ccc2c1)SCC(C)(C)F 62a_100011997219_100011218122 [0,1,0,0,0,1|1,1,0]=4 731 B21R2.882771 COC(=O)c1ccc2cc(ccc2c1)SCC(C)(C)O 62a_100000764493_100011218122 [0,1,0,0,0,1|1,1,0]=4 732 B21R2.882771 COC(=O)c1ccc2cc(ccc2c1)SCC(C)(C)O 62a_100011218122_100000764493 [0,1,0,0,0,1|1,1,0]=4 733 B21R2.882771 COC(=O)c1ccc2cc(ccc2n1)SCC(C)(C)C 62a_100012354044_100011219605 [0,1,0,0,0,1|0,1,1]=4 734 B21R2.882771 COC(=O)c1ccc2cc(ccc2n1)SCC(C)(C)F 62a_100012354044_100011997219 [0,1,0,0,0,1|0,1,1]=4 735 B21R2.882771 COC(=O)c1ccc2cc(ccc2n1)SCC(C)(C)O 62a_100012354044_100000764493 [0,1,0,0,0,1|0,1,1]=4 736 B21R2.882771 COC(=O)c1cnc2cc(ccc2c1)NCC(C)(C)C 27a_100000743828_100010209555 [0,1,0,0,0,1|2,0,0]=4 737 B21R2.882771 COC(=O)c1cnc2cc(ccc2c1)NCC(C)(C)F 27a_100020643315_100010209555 [0,1,0,0,0,1|2,0,0]=4 738 B21R2.882771 COC(=O)c1cnc2cc(ccc2c1)NCC(C)(C)O 27a_100000751335_100010209555 [0,1,0,0,0,1|2,0,0]=4 739 B21R2.882771 COC(=O)c1cnc2cc(ccc2c1)SCC(C)(C)C 62a_100010209555_100011219605 [0,1,0,0,0,1|1,1,0]=4 740 B21R2.882771 COC(=O)c1cnc2cc(ccc2c1)SCC(C)(C)C 62a_100011219605_100010209555 [0,1,0,0,0,1|1,1,0]=4 741 B21R2.882771 COC(=O)c1cnc2cc(ccc2c1)SCC(C)(C)F 62a_100010209555_100011997219 [0,1,0,0,0,1|1,1,0]=4 742 B21R2.882771 COC(=O)c1cnc2cc(ccc2c1)SCC(C)(C)F 62a_100011997219_100010209555 [0,1,0,0,0,1|1,1,0]=4 743 B21R2.882771 COC(=O)c1cnc2cc(ccc2c1)SCC(C)(C)O 62a_100000764493_100010209555 [0,1,0,0,0,1|1,1,0]=4 744 B21R2.882771 COC(=O)c1cnc2cc(ccc2c1)SCC(C)(C)O 62a_100010209555_100000764493 [0,1,0,0,0,1|1,1,0]=4 745 B21R2.882782 COC(=O)c1ccc2cc(ccc2c1)C(=O)CC(C)C 1458a_100020630932_100000210624 [0,1,0,0,0,1|2,0,0]=4 746 B21R2.882782 COC(=O)c1ccc2cc(ccc2c1)[C@@H](N)CC(C)C 271570a_100015190218_100011218122 [0,1,0,0,0,1|2,0,0]=4 747 B21R2.882782 COC(=O)c1ccc2cc(ccc2n1)[C@@H](N)CC(C)C 271570a_100015190218_100012354044 [0,1,0,0,0,1|1,0,1]=4 748 B21R2.882782 COC(=O)c1cnc2cc(ccc2c1)N(C)CC(C)C 27a_100000747067_100010209555 [0,1,0,0,0,1|2,0,0]=4 749 B21R2.882782 COC(=O)c1cnc2cc(ccc2c1)[C@@H](N)CC(C)C 271570a_100015190218_100010209555 [0,1,0,0,0,1|2,0,0]=4 750 B21R2.882783 COC(=O)c1cnc2cc(ccc2c1)NC(C)C(C)C 27a_100000211541_100010209555 [0,1,0,0,0,1|2,0,0]=4 751 B21R2.25428674 COC(=O)c1cc(=O)c2cc(ccc2[nH]1)C=CC(C)C 271570a_100016257149_100011855846 [0,1,0,0,0,1|1,0,1]=4 752 B21R2.317814 C=C(C)CCOc1ccc2[nH]c(cc2c1)C(=O)OCC 7a_100000042727_100000730704 [0,1,0,0,0,1|0,0,2]=4 753 B21R2.317814 CCOC(=O)c1cc2cc(ccc2[nH]1)C=CCC(C)C 271570a_100016259101_100009814477 [0,1,0,0,0,1|1,0,0]=3 754 B21R2.317814 CCOC(=O)c1cc2cc(ccc2[nH]1)OCC=C(C)C 7a_100000042727_100000761012 [0,1,0,0,0,1|0,0,1]=3 755 B21R2.317814 CCOC(=O)c1cc2cc(ccc2[nH]1)OCCC(=O)C 7a_100000042727_100000053229 [0,1,0,0,0,1|1,0,1]=4 756 B21R2.317814 CCOC(=O)c1cc2cc(ccc2[nH]1)OCCC(C)C 7a_100000042727_100000210626 [0,1,0,0,0,1|0,0,0]=2 757 B21R2.317814 CCOC(=O)c1cc2cc(ccc2[nH]1)OCCC(C)O 7a_100000042727_100012276601 [0,1,0,0,0,1|1,0,0]=3 758 B21R2.317814 CCOC(=O)c1cc2cc(ccc2[nH]1)OCCN(C)C 7a_100000042727_100000755713 [0,1,0,0,0,1|1,0,0]=3 759 B21R2.317814 CCOC(=O)c1cc2cc(ccc2[nH]1)SCC=C(C)C 62a_100000761012_100009814477 [0,1,0,0,0,1|0,1,1]=4 760 B21R2.317814 CCOC(=O)c1cc2cc(ccc2[nH]1)SCCC(C)C 62a_100000210312_100009814477 [0,1,0,0,0,1|0,1,0]=3 761 B21R2.317814 CCOC(=O)c1cc2cc(ccc2[nH]1)SCCC(C)O 62a_100012276601_100009814477 [0,1,0,0,0,1|1,1,0]=4 762 B21R2.317814 CCOC(=O)c1cc2cc(ccc2[nH]1)SCOC(C)C 62a_100000709892_100009814477 [0,1,0,0,0,1|0,1,0]=3 763 B21R2.317814 CCOC(=O)c1cc2cc(ccc2o1)C=CCC(C)C 271570a_100016259101_100009814044 [0,1,0,0,0,1|2,0,0]=4 764 B21R2.317814 CCOC(=O)c1cc2cc(ccc2o1)SCCC(C)C 62a_100000210312_100009814044 [0,1,0,0,0,1|1,1,0]=4 765 B21R2.317814 CCOC(=O)c1cc2cc(ccc2o1)SCOC(C)C 62a_100000709892_100009814044 [0,1,0,0,0,1|1,1,0]=4 766 B21R2.317814 CCOC(=O)c1cc2cc(ccc2s1)C=CCC(C)C 271570a_100016259101_100010161204 [0,1,0,0,0,1|2,0,0]=4 767 B21R2.317814 CCOC(=O)c1cc2cc(ncc2[nH]1)C=CCC(C)C 271570a_100016259101_100010255194 [0,1,0,0,0,1|2,0,0]=4 768 B21R2.317814 CCOC(=O)c1cc2cc(ncc2[nH]1)SCCC(C)C 62a_100000210312_100010212348 [0,1,0,0,0,1|1,1,0]=4 769 B21R2.317814 CCOC(=O)c1cc2cc(ncc2[nH]1)SCOC(C)C 62a_100000709892_100010212348 [0,1,0,0,0,1|1,1,0]=4 770 B21R2.317814 CCOC(=O)c1cc2ccc(cc2o1)OCCC(C)C 7a_200010074505_100000210626 [0,1,0,0,0,1|2,0,0]=4 771 B21R2.317814 CCOC(=O)c1nc2cc(ccc2[nH]1)C=CCC(C)C 271570a_100016259101_100011850276 [0,1,0,0,0,1|2,0,0]=4 772 B21R2.379414 COC(=O)c1cc2cc(ccc2[nH]1)SCCC(C)(C)C 62a_100000755188_100009814476 [0,1,0,0,0,1|0,1,0]=3 773 B21R2.379414 COC(=O)c1cc2cc(ccc2[nH]1)SCCC(C)(C)O 62a_100000702414_100009814476 [0,1,0,0,0,1|0,1,0]=3 774 B21R2.379414 COC(=O)c1cc2cc(ccc2[nH]1)SCC[N+](C)(C)C 62a_100000085578_100009814476 [0,1,0,0,0,1|1,1,0]=4 775 B21R2.379414 COC(=O)c1cc2cc(ccc2[nH]1)SCC[Si](C)(C)C 62a_200000733723_100009814476 [0,1,0,0,0,1|0,2,0]=4 776 B21R2.379414 COC(=O)c1cc2cc(cnc2[nH]1)SCCC(C)(C)C 62a_100000755188_100010113459 [0,1,0,0,0,1|1,1,0]=4 777 B21R2.379414 COC(=O)c1cc2cc(cnc2[nH]1)SCCC(C)(C)O 62a_100000702414_100010113459 [0,1,0,0,0,1|1,1,0]=4 778 B21R2.379414 COC(=O)c1cc2ccc(cc2[nH]1)OCCC(C)(C)C 34a_100000101677_100000755188 [0,1,0,0,0,1|2,0,0]=4 779 B21R2.379414 COC(=O)c1cc2ccc(cc2[nH]1)OCCC(C)(C)O 34a_100000101677_100000702414 [0,1,0,0,0,1|2,0,0]=4 780 B21R2.908506 COC(=O)c1sc2ccc(cc2c1N)C=CCC(C)C 271570a_100016259101_100010179907 [0,1,0,0,0,1|2,0,0]=4 781 B21R2.908717 COC(=O)c1cc2cc(ccc2[nH]1)CCC(=O)N(C)C 271570a_200010232142_100009814476 [0,1,0,0,0,1|2,0,0]=4 782 B21R2.908717 COC(=O)c1cc2cc(ccc2[nH]1)SCC(=O)C(C)C 62a_100000753385_100009814476 [0,1,0,0,0,1|0,1,0]=3 783 B21R2.908717 COC(=O)c1cc2cc(ccc2[nH]1)SCC(=O)N(C)C 62a_100000692301_100009814476 [0,1,0,0,0,1|1,1,0]=4 784 B21R2.908717 COC(=O)c1cc2cc(cnc2[nH]1)SCC(=O)C(C)C 62a_100000753385_100010113459 [0,1,0,0,0,1|1,1,0]=4 785 B21R2.908717 COC(=O)c1cc2ccc(cc2[nH]1)OCC(=O)C(C)C 34a_100000101677_100000753385 [0,1,0,0,0,1|2,0,0]=4 786 B21R2.908756 COC(=O)c1cc2cc(ccc2[nH]1)SC(C)CC(C)C 62a_100000731052_100009814476 [0,1,0,0,0,1|0,1,0]=3 787 B21R2.908756 COC(=O)c1cc2cc(ccc2[nH]1)SC(C)CN(C)C 62a_100020606517_100009814476 [0,1,0,0,0,1|1,1,0]=4 788 B21R2.908756 COC(=O)c1cc2cc(ccc2s1)NC(=O)CC(C)C 188690a_100011296990_100000210554 [0,1,0,0,0,1|2,0,0]=4 789 B21R2.908756 COC(=O)c1cc2cc(cnc2[nH]1)NC(=O)CC(C)C 188690a_100009869823_100000210554 [0,1,0,0,0,1|2,0,0]=4 790 B21R2.908756 COC(=O)c1cc2cc(cnc2[nH]1)SC(C)CC(C)C 62a_100000731052_100010113459 [0,1,0,0,0,1|1,1,0]=4 791 B21R2.908756 COC(=O)c1cc2ccc(cc2[nH]1)OC(C)CC(C)C 34a_100000101677_100000731052 [0,1,0,0,0,1|2,0,0]=4 792 B21R2.75129929 COC(=O)c1cc2cc(c(cc2[nH]1)F)C=CCC(C)C 271570a_100016259101_200020683298 [0,1,0,0,0,1|1,0,0]=3 793 B21R2.75129929 COC(=O)c1cc2cc(c(cc2[nH]1)F)SCC=C(C)C 62a_100000761012_200020683298 [0,1,0,0,0,1|0,1,1]=4 794 B21R2.75129929 COC(=O)c1cc2cc(c(cc2[nH]1)F)SCCC(C)C 62a_100000210312_200020683298 [0,1,0,0,0,1|0,1,0]=3 795 B21R2.75129929 COC(=O)c1cc2cc(c(cc2[nH]1)F)SCCC(C)O 62a_100012276601_200020683298 [0,1,0,0,0,1|1,1,0]=4 796 B21R2.75129929 COC(=O)c1cc2cc(c(cc2[nH]1)F)SCOC(C)C 62a_100000709892_200020683298 [0,1,0,0,0,1|0,1,0]=3 797 B21R2.317812 CCOC(=O)c1cc2cc(ccc2[nH]1)C(=O)CC(C)C 1458a_100000736712_100000210624 [0,2,0,0,0,0|1,0,0]=3 798 B21R2.317812 CCOC(=O)c1cc2cc(ccc2[nH]1)C(=O)CC(C)O 1458a_100000736712_100011218427 [0,2,0,0,0,0|2,0,0]=4 799 B21R2.317812 CCOC(=O)c1cc2cc(ccc2[nH]1)C(=O)NC(C)C 11a_100138425928_100000736712 [0,2,0,0,0,0|2,0,0]=4 800 B21R2.317812 CCOC(=O)c1cc2cc(ccc2[nH]1)C(=O)NC(C)C 1626a_100138425928_100000736712 [0,2,0,0,0,0|2,0,0]=4 801 B21R2.317812 CCOC(=O)c1cc2cc(ccc2[nH]1)C(=O)NC(C)C 240690a_100138425928_100000736712 [0,2,0,0,0,0|2,0,0]=4 802 B21R2.317812 CCOC(=O)c1cc2cc(ccc2[nH]1)C(=O)NC(C)C 527a_100138425928_100000736712 [0,2,0,0,0,0|2,0,0]=4 803 B21R2.317812 CCOC(=O)c1cc2cc(ccc2[nH]1)[C@@H](N)CC(C)C 271570a_100015190218_100009814477 [0,2,0,0,0,0|1,0,0]=3 804 B21R2.317812 CCOC(=O)c1cc2cc(ccc2o1)[C@@H](N)CC(C)C 271570a_100015190218_100009814044 [0,2,0,0,0,0|2,0,0]=4 805 B21R2.317812 CCOC(=O)c1cc2cc(ccc2s1)[C@@H](N)CC(C)C 271570a_100015190218_100010161204 [0,2,0,0,0,0|2,0,0]=4 806 B21R2.317812 CCOC(=O)c1cc2cc(ncc2[nH]1)[C@@H](N)CC(C)C 271570a_100015190218_100010255194 [0,2,0,0,0,0|2,0,0]=4 807 B21R2.317812 CCOC(=O)c1nc2cc(ccc2[nH]1)[C@@H](N)CC(C)C 271570a_100015190218_100011850276 [0,2,0,0,0,0|2,0,0]=4 808 B21R2.317813 CCOC(=O)c1cc2cc(ccc2[nH]1)NC(=O)C(C)C 188690a_100012354868_100000210198 [0,2,0,0,0,0|1,0,1]=4 809 B21R2.317813 CCOC(=O)c1cc2cc(ccc2[nH]1)OC(C)C(=O)C 7a_100000042727_100000179758 [0,2,0,0,0,0|1,0,1]=4 810 B21R2.317815 C=CC(O)COc1ccc2[nH]c(cc2c1)C(=O)OCC 7a_100000042727_100000730141 [0,2,0,0,0,0|1,0,1]=4 811 B21R2.317815 CCOC(=O)c1cc2cc(ccc2[nH]1)OCC(=O)CC 7a_100000042727_100000747405 [0,2,0,0,0,0|1,0,1]=4 812 B21R2.317815 CCOC(=O)c1cc2cc(ccc2[nH]1)OCC(=O)NC 7a_100000042727_100000183359 [0,2,0,0,0,0|1,0,1]=4 813 B21R2.317815 CCOC(=O)c1cc2cc(ccc2[nH]1)OCC(=O)OC 7a_100000042727_100000747449 [0,2,0,0,0,0|1,0,1]=4 814 B21R2.317815 CCOC(=O)c1cc2cc(ccc2[nH]1)OCC(C)CC 7a_100000042727_100000748023 [0,2,0,0,0,0|0,0,0]=2 815 B21R2.317815 CCOC(=O)c1cc2cc(ccc2[nH]1)OCC(O)CC 7a_100000042727_100011218378 [0,2,0,0,0,0|1,0,0]=3 816 B21R2.317815 CCOC(=O)c1cc2cc(ccc2[nH]1)OCC(O)CO 7a_100000042727_100011219619 [0,2,0,0,0,0|1,0,0]=3 817 B21R2.317815 CCOC(=O)c1cc2cc(ccc2[nH]1)OC[C@@H](C)CC 7a_100000042727_100009816398 [0,2,0,0,0,0|0,0,0]=2 818 B21R2.317815 CCOC(=O)c1cc2cc(ccc2[nH]1)OC[C@@H](C)CO 7a_100000042727_100000059175 [0,2,0,0,0,0|0,0,0]=2 819 B21R2.317815 CCOC(=O)c1cc2cc(ccc2[nH]1)OC[C@@H](O)CF 7a_100000042727_100015614560 [0,2,0,0,0,0|1,0,0]=3 820 B21R2.317815 CCOC(=O)c1cc2cc(ccc2[nH]1)OC[C@@H](O)CO 7a_100000042727_100009815848 [0,2,0,0,0,0|1,0,0]=3 821 B21R2.317815 CCOC(=O)c1cc2cc(ccc2[nH]1)SCC(C)CC 62a_100000748023_100009814477 [0,2,0,0,0,0|0,1,0]=3 822 B21R2.317815 CCOC(=O)c1cc2cc(ccc2[nH]1)SCC(O)CC 62a_100011218378_100009814477 [0,2,0,0,0,0|1,1,0]=4 823 B21R2.317815 CCOC(=O)c1cc2cc(ccc2[nH]1)SCC(O)CO 62a_100011219619_100009814477 [0,2,0,0,0,0|1,1,0]=4 824 B21R2.317815 CCOC(=O)c1cc2cc(ccc2[nH]1)SC[C@@H](C)CC 62a_100009816398_100009814477 [0,2,0,0,0,0|0,1,0]=3 825 B21R2.317815 CCOC(=O)c1cc2cc(ccc2[nH]1)SC[C@@H](C)CO 62a_100000059175_100009814477 [0,2,0,0,0,0|0,1,0]=3 826 B21R2.317815 CCOC(=O)c1cc2cc(ccc2[nH]1)SC[C@@H](O)CF 62a_100015614560_100009814477 [0,2,0,0,0,0|1,1,0]=4 827 B21R2.317815 CCOC(=O)c1cc2cc(ccc2[nH]1)SC[C@@H](O)CO 62a_100009815848_100009814477 [0,2,0,0,0,0|1,1,0]=4 828 B21R2.317815 CCOC(=O)c1cc2cc(ccc2o1)SCC(C)CC 62a_100000748023_100009814044 [0,2,0,0,0,0|1,1,0]=4 829 B21R2.317815 CCOC(=O)c1cc2cc(ccc2o1)SC[C@@H](C)CC 62a_100009816398_100009814044 [0,2,0,0,0,0|1,1,0]=4 830 B21R2.317815 CCOC(=O)c1cc2cc(ccc2o1)SC[C@@H](C)CO 62a_100000059175_100009814044 [0,2,0,0,0,0|1,1,0]=4 831 B21R2.317815 CCOC(=O)c1cc2cc(ncc2[nH]1)SCC(C)CC 62a_100000748023_100010212348 [0,2,0,0,0,0|1,1,0]=4 832 B21R2.317815 CCOC(=O)c1cc2cc(ncc2[nH]1)SC[C@@H](C)CC 62a_100009816398_100010212348 [0,2,0,0,0,0|1,1,0]=4 833 B21R2.317815 CCOC(=O)c1cc2cc(ncc2[nH]1)SC[C@@H](C)CO 62a_100000059175_100010212348 [0,2,0,0,0,0|1,1,0]=4 834 B21R2.317815 CCOC(=O)c1cc2ccc(cc2o1)OCC(C)CC 7a_200010074505_100000748023 [0,2,0,0,0,0|2,0,0]=4 835 B21R2.317815 CCOC(=O)c1cc2ccc(cc2o1)OC[C@@H](C)CC 7a_200010074505_100009816398 [0,2,0,0,0,0|2,0,0]=4 836 B21R2.317815 CCOC(=O)c1cc2ccc(cc2o1)OC[C@@H](C)CO 7a_200010074505_100000059175 [0,2,0,0,0,0|2,0,0]=4 837 B21R2.318230 CCOC(=O)c1cc2c(c(ccc2o1)SCC(C)C)C 62a_100000210624_200010292639 [0,2,0,0,0,0|1,1,0]=4 838 B21R2.5342575 CCOC(=O)c1cc2cc(ccc2[nH]1)C=CC(C)(C)C 271570a_100102527731_100009814477 [0,2,0,0,0,0|1,0,1]=4 839 B21R2.5342575 CCOC(=O)c1cc2cc(ccc2[nH]1)C=CC(C)(C)O 271570a_200016258132_100009814477 [0,2,0,0,0,0|1,0,1]=4 840 B21R2.5342575 CCOC(=O)c1cc2cc(ccc2[nH]1)OCC(C)(C)O 7a_100000042727_100000764493 [0,2,0,0,0,0|0,0,0]=2 841 B21R2.5342575 CCOC(=O)c1cc2cc(ccc2[nH]1)OC[Si](C)(C)C 7a_100000042727_100000233785 [0,2,0,0,0,0|0,1,0]=3 842 B21R2.5342575 CCOC(=O)c1cc2cc(ccc2[nH]1)SCC(C)(C)C 62a_100011219605_100009814477 [0,2,0,0,0,0|0,1,0]=3 843 B21R2.5342575 CCOC(=O)c1cc2cc(ccc2[nH]1)SCC(C)(C)F 62a_100011997219_100009814477 [0,2,0,0,0,0|0,1,0]=3 844 B21R2.5342575 CCOC(=O)c1cc2cc(ccc2[nH]1)SCC(C)(C)O 62a_100000764493_100009814477 [0,2,0,0,0,0|0,1,0]=3 845 B21R2.5342575 CCOC(=O)c1cc2cc(ccc2[nH]1)SC[N+](C)(C)C 62a_200000036245_100009814477 [0,2,0,0,0,0|1,1,0]=4 846 B21R2.5342575 CCOC(=O)c1cc2cc(ccc2[nH]1)SC[Si](C)(C)C 62a_100000037933_100009814477 [0,2,0,0,0,0|0,2,0]=4 847 B21R2.5342575 CCOC(=O)c1cc2cc(ccc2o1)SCC(C)(C)C 62a_100011219605_100009814044 [0,2,0,0,0,0|1,1,0]=4 848 B21R2.5342575 CCOC(=O)c1cc2cc(ccc2o1)SCC(C)(C)F 62a_100011997219_100009814044 [0,2,0,0,0,0|1,1,0]=4 849 B21R2.5342575 CCOC(=O)c1cc2cc(ccc2o1)SCC(C)(C)O 62a_100000764493_100009814044 [0,2,0,0,0,0|1,1,0]=4 850 B21R2.5342575 CCOC(=O)c1cc2cc(ncc2[nH]1)SCC(C)(C)C 62a_100011219605_100010212348 [0,2,0,0,0,0|1,1,0]=4 851 B21R2.5342575 CCOC(=O)c1cc2cc(ncc2[nH]1)SCC(C)(C)F 62a_100011997219_100010212348 [0,2,0,0,0,0|1,1,0]=4 852 B21R2.5342575 CCOC(=O)c1cc2cc(ncc2[nH]1)SCC(C)(C)O 62a_100000764493_100010212348 [0,2,0,0,0,0|1,1,0]=4 853 B21R2.5342575 CCOC(=O)c1cc2ccc(cc2o1)OCC(C)(C)O 7a_200010074505_100000764493 [0,2,0,0,0,0|2,0,0]=4 854 B21R2.5344436 CCOC(=O)c1cc2cc(ccc2n1C)C=CC(C)C 271570a_100016257149_200010199699 [0,2,0,0,0,0|1,0,1]=4 855 B21R2.5344436 CCOC(=O)c1cc2cc(ccc2n1C)SCC(C)C 62a_100000210624_200010199699 [0,2,0,0,0,0|0,1,0]=3 856 B21R2.5344436 CCOC(=O)c1cc2cc(ccc2n1C)SCC(C)O 62a_100011218427_200010199699 [0,2,0,0,0,0|1,1,0]=4 857 B21R2.5344436 CCOC(=O)c1cc2cc(ccc2n1C)SC[C@@H](C)O 62a_100009817552_200010199699 [0,2,0,0,0,0|1,1,0]=4 858 B21R2.908729 COC(=O)c1sc2ccc(cc2c1N)[C@@H](N)CC(C)C 271570a_100015190218_100010179907 [0,2,0,0,0,0|2,0,0]=4 859 B21R2.75129897 COC(=O)c1cc2cc(c(cc2[nH]1)F)[C@@H](N)CC(C)C 271570a_100015190218_200020683298 [0,2,0,0,0,0|1,0,0]=3 860 B21R2.908564 COC(=O)c1cc2cc(ccc2[nH]1)SC(C)(C)N(C)C 62a_217856628674_100009814476 [0,2,0,0,0,0|1,1,0]=4 861 B21R2.371252 CCC(C)CSc1cc2cc([nH]c2cc1F)C(=O)OC 62a_100000748023_200020683298 [0,2,0,0,0,0|0,1,0]=3 862 B21R2.371252 CCC(O)CSc1cc2cc([nH]c2cc1F)C(=O)OC 62a_100011218378_200020683298 [0,2,0,0,0,0|1,1,0]=4 863 B21R2.371252 CC[C@H](C)CSc1cc2cc([nH]c2cc1F)C(=O)OC 62a_100009816398_200020683298 [0,2,0,0,0,0|0,1,0]=3 864 B21R2.371252 COC(=O)c1cc2cc(c(cc2[nH]1)F)SCC(O)CO 62a_100011219619_200020683298 [0,2,0,0,0,0|1,1,0]=4 865 B21R2.371252 COC(=O)c1cc2cc(c(cc2[nH]1)F)SC[C@@H](C)CO 62a_100000059175_200020683298 [0,2,0,0,0,0|0,1,0]=3 866 B21R2.371252 COC(=O)c1cc2cc(c(cc2[nH]1)F)SC[C@@H](O)CF 62a_100015614560_200020683298 [0,2,0,0,0,0|1,1,0]=4 867 B21R2.371252 COC(=O)c1cc2cc(c(cc2[nH]1)F)SC[C@@H](O)CO 62a_100009815848_200020683298 [0,2,0,0,0,0|1,1,0]=4 868 B21R2.908757 CCC(CC)COc1ccc2cc([nH]c2c1)C(=O)OC 34a_100000101677_100011215472 [0,2,0,0,0,0|2,0,0]=4 869 B21R2.908757 CCC(CC)CSc1ccc2[nH]c(cc2c1)C(=O)OC 62a_100011215472_100009814476 [0,2,0,0,0,0|0,1,0]=3 870 B21R2.908757 CCC(CC)CSc1cnc2[nH]c(cc2c1)C(=O)OC 62a_100011215472_100010113459 [0,2,0,0,0,0|1,1,0]=4 871 B21R2.908757 COC(=O)c1cc2cc(ccc2[nH]1)SCC(OC)OC 62a_100000751394_100009814476 [0,2,0,0,0,0|0,1,0]=3 872 B21R2.908757 COC(=O)c1cc2cc(cnc2[nH]1)SCC(OC)OC 62a_100000751394_100010113459 [0,2,0,0,0,0|1,1,0]=4 873 B21R2.908757 COC(=O)c1cc2ccc(cc2[nH]1)OCC(OC)OC 34a_100000101677_100000211822 [0,2,0,0,0,0|2,0,0]=4 874 B21R2.2495271 CCCC(C)COc1ccc2cc([nH]c2c1)C(=O)OC 34a_100000101677_100011216630 [0,2,0,0,0,0|2,0,0]=4 875 B21R2.2495271 CCCC(C)CSc1ccc2[nH]c(cc2c1)C(=O)OC 62a_100011216630_100009814476 [0,2,0,0,0,0|0,1,0]=3 876 B21R2.2495271 CCCC(C)CSc1cnc2[nH]c(cc2c1)C(=O)OC 62a_100011216630_100010113459 [0,2,0,0,0,0|1,1,0]=4 877 B21R2.2495271 COC(=O)c1cc2cc(ccc2[nH]1)SC[C@@H](O)CC#N 62a_100000001066_100009814476 [0,2,0,0,0,0|1,1,0]=4 878 B21R2.2495271 COCC(O)CSc1ccc2[nH]c(cc2c1)C(=O)OC 62a_100011215053_100009814476 [0,2,0,0,0,0|1,1,0]=4 879 B21R2.25335822 C=C[Si](C)(C)CSc1ccc2[nH]c(cc2c1)C(=O)OC 62a_100000038793_100009814476 [0,2,0,0,0,0|0,2,0]=4 880 B21R2.25335822 COC(=O)c1cc2cc(ccc2[nH]1)SCC(C)(C)CO 62a_100009813988_100009814476 [0,2,0,0,0,0|0,1,0]=3 881 B21R2.25335822 COC(=O)c1cc2cc(ccc2[nH]1)SCC(C)(C)OC 62a_100000701081_100009814476 [0,2,0,0,0,0|0,1,0]=3 882 B21R2.25335822 COC(=O)c1cc2cc(cnc2[nH]1)SCC(C)(C)CO 62a_100009813988_100010113459 [0,2,0,0,0,0|1,1,0]=4 883 B21R2.25335822 COC(=O)c1cc2cc(cnc2[nH]1)SCC(C)(C)OC 62a_100000701081_100010113459 [0,2,0,0,0,0|1,1,0]=4 884 B21R2.25335822 COC(=O)c1cc2ccc(cc2[nH]1)OCC(C)(C)CO 34a_100000101677_100009813988 [0,2,0,0,0,0|2,0,0]=4 885 B21R2.25335822 COC(=O)c1cc2ccc(cc2[nH]1)OCC(C)(C)OC 34a_100000101677_100000701081 [0,2,0,0,0,0|2,0,0]=4 886 B21R2.75129930 COC(=O)c1cc2cc(c(cc2[nH]1)F)C=CC(C)(C)C 271570a_100102527731_200020683298 [0,2,0,0,0,0|1,0,1]=4 887 B21R2.75129930 COC(=O)c1cc2cc(c(cc2[nH]1)F)C=CC(C)(C)O 271570a_200016258132_200020683298 [0,2,0,0,0,0|1,0,1]=4 888 B21R2.75129930 COC(=O)c1cc2cc(c(cc2[nH]1)F)SCC(C)(C)C 62a_100011219605_200020683298 [0,2,0,0,0,0|0,1,0]=3 889 B21R2.75129930 COC(=O)c1cc2cc(c(cc2[nH]1)F)SCC(C)(C)F 62a_100011997219_200020683298 [0,2,0,0,0,0|0,1,0]=3 890 B21R2.75129930 COC(=O)c1cc2cc(c(cc2[nH]1)F)SCC(C)(C)O 62a_100000764493_200020683298 [0,2,0,0,0,0|0,1,0]=3 891 B21R2.75129930 COC(=O)c1cc2cc(c(cc2[nH]1)F)SC[N+](C)(C)C 62a_200000036245_200020683298 [0,2,0,0,0,0|1,1,0]=4 892 B21R2.75129930 COC(=O)c1cc2cc(c(cc2[nH]1)F)SC[Si](C)(C)C 62a_100000037933_200020683298 [0,2,0,0,0,0|0,2,0]=4 893 B19R2.7387 CC(C)COc1ccc(cc1)NC2CCOC2=O 34a_200000243789_100000211211 [0,0,1,1,0,0|0,0,2]=4 894 B19R2.152624 COC(=O)C1CN1c2ccc(cc2)OCC(C)C 27a_200009830135_200000169949 [0,0,1,1,0,0|0,0,2]=4 895 B19R2.470286 CNC(=O)C(=O)Nc1ccc(cc1)OCC2CC2 1626a_100000755442_100011218921 [0,0,1,1,0,0|2,0,0]=4 896 B19R2.470286 CNC(=O)C(=O)Nc1ccc(cc1)OCC2CC2 22a_100000755442_100011218921 [0,0,1,1,0,0|2,0,0]=4 897 B19R2.470286 CNC(=O)C(=O)Nc1ccc(cc1)OCC2CC2 527a_100000755442_100011218921 [0,0,1,1,0,0|2,0,0]=4 898 B19R2.470286 COC(=O)C(=O)Nc1ccc(cc1)OCC2CC2 11a_100000755442_100000024059 [0,0,1,1,0,0|1,0,0]=3 899 B19R2.470286 COC(=O)C(=O)Nc1ccc(cc1)OCC2CC2 1626a_100000755442_100000024059 [0,0,1,1,0,0|1,0,0]=3 900 B19R2.470286 COC(=O)C(=O)Nc1ccc(cc1)OCC2CC2 527a_100000755442_100000024059 [0,0,1,1,0,0|1,0,0]=3 901 B19R2.470286 COC(=O)C(C)Nc1ccc(cc1)OCC2CC2 34a_100000755442_100000211248 [0,0,1,1,0,0|0,0,2]=4 902 B19R2.156934 COC(=O)c1cc2cccc(c2[nH]1)C=CC(C)C 271570a_100016257149_100010236140 [0,0,1,1,0,0|1,0,1]=4 903 B19R2.156934 COC(=O)c1cc2cccc(c2[nH]1)SCC(C)C 62a_100000210624_100010236140 [0,0,1,1,0,0|0,1,0]=3 904 B19R2.156934 COC(=O)c1cc2cccc(c2[nH]1)SCC(C)O 62a_100011218427_100010236140 [0,0,1,1,0,0|1,1,0]=4 905 B19R2.156934 COC(=O)c1cc2cccc(c2[nH]1)SC[C@@H](C)O 62a_100009817552_100010236140 [0,0,1,1,0,0|1,1,0]=4 906 B19R2.470344 COC(=O)[C@@H](N)Cc1cccc(c1)OCC2CC2 34a_100016991376_100000742324 [0,0,1,1,0,0|0,0,2]=4 907 B19R2.7069185 COC(=O)c1cnc2n1cc(cc2)SCC(C)C 62a_100000210624_100010290878 [0,0,1,1,0,0|1,1,0]=4 908 B19R2.1320450 COC(=O)c1c[nH]c2c1ccc(c2)OCC(C)C 34a_100000059737_100000210624 [0,0,1,1,0,0|2,0,0]=4 909 B19R3.246456 COC(=O)c1cc2ccc(cc2[nH]1)OC3CC3 34a_100000101677_100000211595 [1,0,0,1,0,0|2,0,0]=4 910 B19R3.200033 CC(=O)c1cc2cc(ccc2o1)SCC3CC3 62a_100000756562_100000181247 [1,0,0,1,0,0|1,1,0]=4 911 B19R3.200033 NC(=O)c1cc2cc(ccc2[nH]1)SCC3CC3 62a_100000756562_100009814496 [1,0,0,1,0,0|1,1,0]=4 912 B21R3.672024 COC(=O)C1=Cc2cc(ccc2OC1)SCC3CC3 62a_100011192627_100000742324 [0,0,0,1,0,1|1,1,0]=4 913 B21R3.672024 COC(=O)c1ccc2ccc(cc2c1)OCC3CC3 34a_100010238490_100000742324 [0,0,0,1,0,1|1,0,0]=3 914 B21R3.672024 COC(=O)c1ccc2ccc(cc2c1)OCC3CC3 7a_100010238490_100000742324 [0,0,0,1,0,1|1,0,0]=3 915 B21R3.672024 COC(=O)c1ccc2ccc(cc2c1)OCC3CO3 34a_100010238490_102125554688 [0,0,0,1,0,1|2,0,0]=4 916 B21R3.672024 COC(=O)c1ccc2ccc(cc2c1)OCC3CO3 7a_100010238490_102125554688 [0,0,0,1,0,1|2,0,0]=4 917 B21R3.672024 COC(=O)c1ccc2ccc(cc2c1)OCC3CS3 7a_100010238490_100000031435 [0,0,0,1,0,1|2,0,0]=4 918 B21R3.672024 COC(=O)c1ccc2ccc(cc2c1)OC[C@@H]3CO3 7a_100010238490_100000745022 [0,0,0,1,0,1|2,0,0]=4 919 B21R3.9600133 COC(=O)c1cnc2cc(ccc2c1)N3CC(C3)C 27a_100000702820_100010209555 [0,0,0,1,0,1|2,0,0]=4 920 B21R3.9600134 COC(=O)c1ccc2cc(ccc2c1)OCC3CC3 34a_100000026998_100000742324 [0,0,0,1,0,1|1,0,0]=3 921 B21R3.9600134 COC(=O)c1ccc2cc(ccc2c1)OCC3CC3 7a_100000026998_100000742324 [0,0,0,1,0,1|1,0,0]=3 922 B21R3.9600134 COC(=O)c1ccc2cc(ccc2c1)OCC3CO3 34a_100000026998_102125554688 [0,0,0,1,0,1|2,0,0]=4 923 B21R3.9600134 COC(=O)c1ccc2cc(ccc2c1)OCC3CO3 7a_100000026998_102125554688 [0,0,0,1,0,1|2,0,0]=4 924 B21R3.9600134 COC(=O)c1ccc2cc(ccc2c1)OCC3CS3 7a_100000026998_100000031435 [0,0,0,1,0,1|2,0,0]=4 925 B21R3.9600134 COC(=O)c1ccc2cc(ccc2c1)OC[C@@H]3CO3 7a_100000026998_100000745022 [0,0,0,1,0,1|2,0,0]=4 926 B21R3.9600134 COC(=O)c1ccc2cc(ccc2c1)SCC3CC3 62a_100000756562_100011218122 [0,0,0,1,0,1|1,1,0]=4 927 B21R3.9600134 COC(=O)c1ccc2cc(ccc2c1)SCC3CC3 62a_100011218122_100000742324 [0,0,0,1,0,1|1,1,0]=4 928 B21R3.9600134 COC(=O)c1ccc2cc(ccc2n1)SCC3CC3 62a_100012354044_100000742324 [0,0,0,1,0,1|0,1,1]=4 929 B21R3.9600134 COC(=O)c1cnc2cc(ccc2c1)NCC3CC3 27a_100000735609_100010209555 [0,0,0,1,0,1|2,0,0]=4 930 B21R3.9600134 COC(=O)c1cnc2cc(ccc2c1)SCC3CC3 62a_100000756562_100010209555 [0,0,0,1,0,1|1,1,0]=4 931 B21R3.9600134 COC(=O)c1cnc2cc(ccc2c1)SCC3CC3 62a_100010209555_100000742324 [0,0,0,1,0,1|1,1,0]=4 932 B21R3.9634943 COC(=O)c1cc2cc(ccc2[nH]1)SCCC3CC3 62a_100000764125_100009814476 [0,0,0,1,0,1|0,1,0]=3 933 B21R3.9634943 COC(=O)c1cc2cc(ccc2[nH]1)SCCC3CO3 62a_100000732470_100009814476 [0,0,0,1,0,1|1,1,0]=4 934 B21R3.9634943 COC(=O)c1cc2cc(cnc2[nH]1)SCCC3CC3 62a_100000764125_100010113459 [0,0,0,1,0,1|1,1,0]=4 935 B21R3.9634943 COC(=O)c1cc2ccc(cc2[nH]1)OCCC3CC3 34a_100000101677_100000694398 [0,0,0,1,0,1|2,0,0]=4 936 B21R3.564546 CCOC(=O)c1cc2cc(ccc2[nH]1)C#CC3CC3 271570a_200009880635_100009814477 [0,1,0,1,0,0|1,0,1]=4 937 B21R3.564546 CCOC(=O)c1cc2cc(ccc2[nH]1)C=CC3CC3 271570a_100102526188_100009814477 [0,1,0,1,0,0|1,0,1]=4 938 B21R3.564546 CCOC(=O)c1cc2cc(ccc2[nH]1)OCC3CC3 7a_100000042727_100000742324 [0,1,0,1,0,0|0,0,0]=2 939 B21R3.564546 CCOC(=O)c1cc2cc(ccc2[nH]1)OCC3CO3 7a_100000042727_102125554688 [0,1,0,1,0,0|1,0,0]=3 940 B21R3.564546 CCOC(=O)c1cc2cc(ccc2[nH]1)OCC3CS3 7a_100000042727_100000031435 [0,1,0,1,0,0|1,0,0]=3 941 B21R3.564546 CCOC(=O)c1cc2cc(ccc2[nH]1)OC[C@@H]3CO3 7a_100000042727_100000745022 [0,1,0,1,0,0|1,0,0]=3 942 B21R3.564546 CCOC(=O)c1cc2cc(ccc2[nH]1)SCC3CC3 62a_100000756562_100009814477 [0,1,0,1,0,0|0,1,0]=3 943 B21R3.564546 CCOC(=O)c1cc2cc(ccc2[nH]1)SCC3CO3 62a_102125554688_100009814477 [0,1,0,1,0,0|1,1,0]=4 944 B21R3.564546 CCOC(=O)c1cc2cc(ccc2[nH]1)SCC3CS3 62a_100000031435_100009814477 [0,1,0,1,0,0|1,1,0]=4 945 B21R3.564546 CCOC(=O)c1cc2cc(ccc2[nH]1)SC[C@@H]3CO3 62a_100000745022_100009814477 [0,1,0,1,0,0|1,1,0]=4 946 B21R3.564546 CCOC(=O)c1cc2cc(ccc2o1)SCC3CC3 62a_100000756562_100009814044 [0,1,0,1,0,0|1,1,0]=4 947 B21R3.564546 CCOC(=O)c1cc2cc(ncc2[nH]1)SCC3CC3 62a_100000756562_100010212348 [0,1,0,1,0,0|1,1,0]=4 948 B21R3.564546 CCOC(=O)c1cc2ccc(cc2o1)OCC3CC3 7a_200010074505_100000742324 [0,1,0,1,0,0|2,0,0]=4 949 B21R3.6682687 CC(C)CSc1ccc2[nH]c3c(c2c1)CCCC3=O 62a_100000210624_100000697556 [0,1,0,1,0,0|1,1,0]=4 950 B21R3.9634657 COC(=O)c1cc2cc(ccc2[nH]1)SCC3(CO3)C 62a_100000760498_100009814476 [0,1,0,1,0,0|0,1,0]=3 951 B21R3.9634657 COC(=O)c1cc2cc(cnc2[nH]1)SCC3(CO3)C 62a_100000760498_100010113459 [0,1,0,1,0,0|1,1,0]=4 952 B21R3.9634657 COC(=O)c1cc2ccc(cc2[nH]1)OCC3(CO3)C 34a_100000101677_100000760498 [0,1,0,1,0,0|2,0,0]=4 953 B21R3.9634948 COC(=O)c1cc2cc(ccc2[nH]1)SCC3CCC3 62a_100000763275_100009814476 [0,1,0,1,0,0|0,1,0]=3 954 B21R3.9634948 COC(=O)c1cc2cc(ccc2[nH]1)SCC3CCO3 62a_100000103362_100009814476 [0,1,0,1,0,0|0,1,0]=3 955 B21R3.9634948 COC(=O)c1cc2cc(ccc2[nH]1)SCC3COC3 62a_100010264016_100009814476 [0,1,0,1,0,0|0,1,0]=3 956 B21R3.9634948 COC(=O)c1cc2cc(cnc2[nH]1)SCC3CCC3 62a_100000763275_100010113459 [0,1,0,1,0,0|1,1,0]=4 957 B21R3.9634948 COC(=O)c1cc2cc(cnc2[nH]1)SCC3CCO3 62a_100000103362_100010113459 [0,1,0,1,0,0|1,1,0]=4 958 B21R3.9634948 COC(=O)c1cc2cc(cnc2[nH]1)SCC3COC3 62a_100010264016_100010113459 [0,1,0,1,0,0|1,1,0]=4 959 B21R3.9634948 COC(=O)c1cc2ccc(cc2[nH]1)OCC3CCC3 34a_100000101677_100000763275 [0,1,0,1,0,0|2,0,0]=4 960 B21R3.9634948 COC(=O)c1cc2ccc(cc2[nH]1)OCC3CCO3 34a_100000101677_100000103362 [0,1,0,1,0,0|2,0,0]=4 961 B21R3.9634948 COC(=O)c1cc2ccc(cc2[nH]1)OCC3COC3 34a_100000101677_100010264016 [0,1,0,1,0,0|2,0,0]=4 962 B21R3.167580692 COC(=O)c1cc2cc(c(cc2[nH]1)F)C#CC3CC3 271570a_200009880635_200020683298 [0,1,0,1,0,0|1,0,1]=4 963 B21R3.167580692 COC(=O)c1cc2cc(c(cc2[nH]1)F)C=CC3CC3 271570a_100102526188_200020683298 [0,1,0,1,0,0|1,0,1]=4 964 B21R3.167580692 COC(=O)c1cc2cc(c(cc2[nH]1)F)SCC3CC3 62a_100000756562_200020683298 [0,1,0,1,0,0|0,1,0]=3 965 B21R3.167580692 COC(=O)c1cc2cc(c(cc2[nH]1)F)SCC3CO3 62a_102125554688_200020683298 [0,1,0,1,0,0|1,1,0]=4 966 B21R3.167580692 COC(=O)c1cc2cc(c(cc2[nH]1)F)SCC3CS3 62a_100000031435_200020683298 [0,1,0,1,0,0|1,1,0]=4 967 B21R3.167580692 COC(=O)c1cc2cc(c(cc2[nH]1)F)SC[C@@H]3CO3 62a_100000745022_200020683298 [0,1,0,1,0,0|1,1,0]=4 968 B17R1.5887 COC(=O)c1cc(c([nH]1)C#N)C=CCC(C)C 271570a_100016259101_100011068512 [0,0,1,0,1,0|1,0,1]=4 969 B17R1.5887 COC(=O)c1cc(c(s1)C=O)C=CCC(C)C 271570a_100016259101_100010234932 [0,0,1,0,1,0|2,0,0]=4 970 B17R1.1764 COC(=O)C(=O)c1ccc(cc1)OCC(C)C 34a_100010658548_100000210624 [0,0,1,0,1,0|1,0,0]=3 971 B17R1.1764 COC(=O)C(=O)c1ccc(cc1)OCC(C)O 34a_100010658548_100011218427 [0,0,1,0,1,0|2,0,0]=4 972 B17R1.1764 COC(=O)C(=O)c1ccc(cc1)OC[C@@H](C)O 34a_100010658548_100009817552 [0,0,1,0,1,0|2,0,0]=4 973 B17R1.1764 COC(=O)C(=O)c1ccc(cc1)SCC(C)C 62a_100000210624_100012339527 [0,0,1,0,1,0|1,1,0]=4 974 B17R1.1764 COC(=O)C(=O)c1ccc(cc1)SCC(C)C 62a_100012339527_100000210760 [0,0,1,0,1,0|1,1,0]=4 975 B17R1.1764 COC(=O)[C@H](N)c1ccc(cc1)OCC(C)C 34a_100009816592_100000210624 [0,0,1,0,1,0|1,0,1]=4 976 B17R1.8326 CNC(=O)C(=O)Nc1ccc(cc1)CC(C)C 1626a_100000687309_100011218921 [0,0,1,0,1,0|2,0,0]=4 977 B17R1.8326 CNC(=O)C(=O)Nc1ccc(cc1)CC(C)C 22a_100000687309_100011218921 [0,0,1,0,1,0|2,0,0]=4 978 B17R1.8326 CNC(=O)C(=O)Nc1ccc(cc1)CC(C)C 527a_100000687309_100011218921 [0,0,1,0,1,0|2,0,0]=4 979 B17R1.8326 CNC(=O)C(=O)Nc1ccc(cc1)OC(C)C 1626a_100011194259_100011218921 [0,0,1,0,1,0|2,0,0]=4 980 B17R1.8326 CNC(=O)C(=O)Nc1ccc(cc1)OC(C)C 22a_100011194259_100011218921 [0,0,1,0,1,0|2,0,0]=4 981 B17R1.8326 CNC(=O)C(=O)Nc1ccc(cc1)OC(C)C 527a_100011194259_100011218921 [0,0,1,0,1,0|2,0,0]=4 982 B17R1.8326 COC(=O)C(=O)Nc1ccc(cc1)CC(C)C 11a_100000687309_100000024059 [0,0,1,0,1,0|1,0,0]=3 983 B17R1.8326 COC(=O)C(=O)Nc1ccc(cc1)CC(C)C 1626a_100000687309_100000024059 [0,0,1,0,1,0|1,0,0]=3 984 B17R1.8326 COC(=O)C(=O)Nc1ccc(cc1)CC(C)C 527a_100000687309_100000024059 [0,0,1,0,1,0|1,0,0]=3 985 B17R1.8326 COC(=O)C(=O)Nc1ccc(cc1)CN(C)C 11a_100000246131_100000024059 [0,0,1,0,1,0|2,0,0]=4 986 B17R1.8326 COC(=O)C(=O)Nc1ccc(cc1)CN(C)C 527a_100000246131_100000024059 [0,0,1,0,1,0|2,0,0]=4 987 B17R1.8326 COC(=O)C(=O)Nc1ccc(cc1)OC(C)C 11a_100011194259_100000024059 [0,0,1,0,1,0|1,0,0]=3 988 B17R1.8326 COC(=O)C(=O)Nc1ccc(cc1)OC(C)C 1626a_100011194259_100000024059 [0,0,1,0,1,0|1,0,0]=3 989 B17R1.8326 COC(=O)C(=O)Nc1ccc(cc1)OC(C)C 527a_100011194259_100000024059 [0,0,1,0,1,0|1,0,0]=3 990 B17R1.8326 COC(=O)C(C)Nc1ccc(cc1)CC(C)C 2230a_100000687309_100000211248 [0,0,1,0,1,0|0,0,2]=4 991 B17R1.8326 COC(=O)C(C)Nc1ccc(cc1)CC(C)C 34a_100000687309_100000211248 [0,0,1,0,1,0|0,0,2]=4 992 B17R1.8326 COC(=O)C(C)Nc1ccc(cc1)OC(C)C 2230a_100011194259_100000211248 [0,0,1,0,1,0|0,0,2]=4 993 B17R1.8326 COC(=O)C(C)Nc1ccc(cc1)OC(C)C 34a_100011194259_100000211248 [0,0,1,0,1,0|0,0,2]=4 994 B17R1.1787 COC(=O)C(=O)c1cccc(c1)SCC(C)C 62a_100000210624_100000699548 [0,0,1,0,1,0|1,1,0]=4 995 B17R1.1787 COC(=O)C(=O)c1cccc(c1)SCC(C)C 62a_100000699548_100000210760 [0,0,1,0,1,0|1,1,0]=4 996 B17R1.1787 COC(=O)C(N)c1cccc(c1)SCC(C)C 62a_100000210624_100015207118 [0,0,1,0,1,0|0,1,1]=4 997 B17R1.1787 COC(=O)C(N)c1cccc(c1)SCC(C)C 62a_100015207118_100000210760 [0,0,1,0,1,0|0,1,1]=4 998 B17R1.8339 COC(=O)C(=O)Nc1cccc(c1)OC(C)C 11a_100011194262_100000024059 [0,0,1,0,1,0|2,0,0]=4 999 B17R1.8339 COC(=O)C(=O)Nc1cccc(c1)OC(C)C 1626a_100011194262_100000024059 [0,0,1,0,1,0|2,0,0]=4 1000 B17R1.8339 COC(=O)C(=O)Nc1cccc(c1)OC(C)C 527a_100011194262_100000024059 [0,0,1,0,1,0|2,0,0]=4 1001 B17R1.8339 COC(=O)[C@@H](N)Cc1cccc(c1)OC(C)C 34a_100016991376_100000210206 [0,0,1,0,1,0|0,0,2]=4 1002 B17R1.1189 COC(=O)CNc1ccc(cc1F)OC(C)C 2230a_100000747098_100000747449 [0,0,1,0,1,0|1,0,1]=4 1003 B17R1.1189 COC(=O)CNc1ccc(cc1F)OC(C)C 34a_100000747098_100000747449 [0,0,1,0,1,0|1,0,1]=4 1004 B17R1.1189 COC(=O)CNc1ccc(cc1F)OC(C)C 7a_100000747098_100000747449 [0,0,1,0,1,0|1,0,1]=4 1005 B17R1.38175 COC(=O)Cc1ccc(cc1F)OCC(C)C 34a_100009869613_100000210624 [0,0,1,0,1,0|1,0,1]=4 1006 B17R1.38175 COC(=O)Cc1ccc(cc1F)OCC(C)C 7a_100009869613_100000210760 [0,0,1,0,1,0|1,0,1]=4 1007 B17R2.60546 CC(=O)c1cc2cc(ccc2o1)SC(C)C 62a_100000210206_100000181247 [1,0,0,0,1,0|1,1,0]=4 1008 B17R2.60546 CC(C)Sc1ccc2[nH]c(cc2c1)C(=O)N 62a_100000210206_100009814496 [1,0,0,0,1,0|1,1,0]=4 1009 B17R2.58220 C=C(C)c1ccc2[nH]c(cc2c1)C(=O)OC 271570a_100000694244_100009814476 [0,0,0,0,2,0|0,0,2]=4 1010 B19R1.1242 C=C(C)COc1ccc(cc1)NCC(=C)C(=O)OC 34a_200015186533_100009813391 [0,0,1,0,0,1|0,0,2]=4 1011 B19R1.1242 C=C(CNc1ccc(cc1)OCC(C)C)C(=O)OC 34a_200000243789_100009813391 [0,0,1,0,0,1|0,0,0]=2 1012 B19R1.1242 C=C(CNc1ccc(cc1)OCC(F)F)C(=O)OC 34a_100000766895_100009813391 [0,0,1,0,0,1|2,0,0]=4 1013 B19R1.1242 C=C(CSc1ccc(cc1)NCC(C)C)C(=O)OC 62a_100009813391_200011231703 [0,0,1,0,0,1|2,0,0]=4 1014 B19R1.1242 C=C(CSc1ccc(cc1)NCC(C)C)C(=O)OC 62a_200011231703_100009813391 [0,0,1,0,0,1|2,0,0]=4 1015 B19R1.1242 C=C(CSc1ccc(cc1)OCC(C)C)C(=O)OC 62a_100009813391_200000169949 [0,0,1,0,0,1|1,0,0]=3 1016 B19R1.1242 C=C(CSc1ccc(cc1)OCC(C)C)C(=O)OC 62a_200000169949_100009813391 [0,0,1,0,0,1|1,0,0]=3 1017 B19R1.1242 CNC(=O)C(=O)NCc1ccc(cc1)OCC(C)C 1626a_100103151094_100011218921 [0,0,1,0,0,1|2,0,0]=4 1018 B19R1.1242 CNC(=O)C(=O)NCc1ccc(cc1)OCC(C)C 240690a_100103151094_100011218921 [0,0,1,0,0,1|2,0,0]=4 1019 B19R1.1242 CNC(=O)C(=O)NCc1ccc(cc1)OCC(C)C 527a_100103151094_100011218921 [0,0,1,0,0,1|2,0,0]=4 1020 B19R1.1242 COC(=O)C(=O)CNc1ccc(cc1)OCC(C)C 34a_200000243789_100011610305 [0,0,1,0,0,1|1,0,0]=3 1021 B19R1.1242 COC(=O)C(=O)CSc1ccc(cc1)OCC(C)C 62a_100011610305_200000169949 [0,0,1,0,0,1|2,0,0]=4 1022 B19R1.1242 COC(=O)C(=O)CSc1ccc(cc1)OCC(C)C 62a_200000169949_100011610305 [0,0,1,0,0,1|2,0,0]=4 1023 B19R1.1242 COC(=O)C(=O)NCc1ccc(cc1)OCC(C)C 11a_100103151094_100000024059 [0,0,1,0,0,1|1,0,0]=3 1024 B19R1.1242 COC(=O)C(=O)NCc1ccc(cc1)OCC(C)C 1626a_100103151094_100000024059 [0,0,1,0,0,1|1,0,0]=3 1025 B19R1.1242 COC(=O)C(=O)NCc1ccc(cc1)OCC(C)C 240690a_100103151094_100000024059 [0,0,1,0,0,1|1,0,0]=3 1026 B19R1.1242 COC(=O)C(=O)NCc1ccc(cc1)OCC(C)C 527a_100103151094_100000024059 [0,0,1,0,0,1|1,0,0]=3 1027 B19R1.1242 COC(=O)C(C)CNc1ccc(cc1)OCC(C)C 34a_200000243789_100000698445 [0,0,1,0,0,1|0,0,2]=4 1028 B19R1.1242 COC(=O)C(C)NCc1ccc(cc1)OCC(C)C 34a_100103151094_100000211248 [0,0,1,0,0,1|0,0,2]=4 1029 B19R1.9629 COC(=O)C(=O)Nc1ccc(cc1)OCCN(C)C 11a_100000741564_100000024059 [0,0,1,0,0,1|2,0,0]=4 1030 B19R1.9629 COC(=O)C(=O)Nc1ccc(cc1)OCCN(C)C 527a_100000741564_100000024059 [0,0,1,0,0,1|2,0,0]=4 1031 B19R1.45770 COC(=O)CC(=O)Cc1ccc(cc1)OCC(C)C 1458a_100000230830_100000747449 [0,0,1,0,0,1|2,0,0]=4 1032 B19R1.45770 COC(=O)CC(=O)Nc1ccc(cc1)OCC(C)C 22a_200000243789_100000211351 [0,0,1,0,0,1|1,0,0]=3 1033 B19R1.45770 COC(=O)CC(C)Nc1ccc(cc1)OCC(C)C 34a_200000243789_100009817358 [0,0,1,0,0,1|0,0,2]=4 1034 B19R1.9650 COC(=O)C(=O)Nc1cccc(c1)OCCC(C)C 11a_100000745618_100000024059 [0,0,1,0,0,1|2,0,0]=4 1035 B19R1.9650 COC(=O)C(=O)Nc1cccc(c1)OCCC(C)C 1626a_100000745618_100000024059 [0,0,1,0,0,1|2,0,0]=4 1036 B19R1.9650 COC(=O)C(=O)Nc1cccc(c1)OCCC(C)C 527a_100000745618_100000024059 [0,0,1,0,0,1|2,0,0]=4 1037 B19R1.9650 COC(=O)[C@@H](N)Cc1cccc(c1)OCCC(C)C 34a_100016991376_100000210312 [0,0,1,0,0,1|0,0,2]=4 1038 B19R1.9650 COC(=O)[C@@H](N)Cc1cccc(c1)OCOC(C)C 34a_100016991376_100000709892 [0,0,1,0,0,1|0,0,2]=4 1039 B19R1.60638 C=C(CSc1cccc(c1)OCC(C)C)C(=O)OC 62a_100009813391_200000170005 [0,0,1,0,0,1|1,0,1]=4 1040 B19R1.60638 C=C(CSc1cccc(c1)OCC(C)C)C(=O)OC 62a_200000170005_100009813391 [0,0,1,0,0,1|1,0,1]=4 1041 B19R1.60638 COC(=O)C(=O)CSc1cccc(c1)OCC(C)C 62a_100011610305_200000170005 [0,0,1,0,0,1|1,0,1]=4 1042 B19R1.60638 COC(=O)C(=O)CSc1cccc(c1)OCC(C)C 62a_200000170005_100011610305 [0,0,1,0,0,1|1,0,1]=4 1043 B19R2.118337 CC=Cc1ccc2cc(ccc2c1)OCC(C)C 271570a_100016259895_200000170443 [1,0,0,0,0,1|2,0,0]=4 1044 B19R2.161060 CCCCc1ccc2c(c1)C=C(CO2)C(=O)OC 271570a_100020621405_100011192627 [1,0,0,0,0,1|2,0,0]=4 1045 B19R2.161060 CCCOc1ccc2ccc(cc2c1)C(=O)OC 34a_100010238490_100000210303 [1,0,0,0,0,1|1,0,0]=3 1046 B19R2.161060 CCCOc1ccc2ccc(cc2c1)C(=O)OC 7a_100010238490_100000210303 [1,0,0,0,0,1|1,0,0]=3 1047 B19R2.161060 CCCSc1ccc2c(c1)C=C(CO2)C(=O)OC 62a_100011192627_100000210303 [1,0,0,0,0,1|1,1,0]=4 1048 B19R2.161060 COC(=O)c1ccc2ccc(cc2c1)OCCF 34a_100010238490_100011217306 [1,0,0,0,0,1|2,0,0]=4 1049 B19R2.161060 COC(=O)c1ccc2ccc(cc2c1)OCCF 7a_100010238490_100011217306 [1,0,0,0,0,1|2,0,0]=4 1050 B19R2.161060 COC(=O)c1ccc2ccc(cc2c1)OCCO 34a_100010238490_100000211926 [1,0,0,0,0,1|2,0,0]=4 1051 B19R2.161060 COC(=O)c1ccc2ccc(cc2c1)OCCO 7a_100010238490_100000211926 [1,0,0,0,0,1|2,0,0]=4 1052 B19R2.161060 COC(=O)c1ccc2ccc(cc2c1)OCSC 34a_100010238490_100011218213 [1,0,0,0,0,1|2,0,0]=4 1053 B19R2.161089 CCCCc1ccc2cc(ccc2c1)C(=O)OC 271570a_100020621405_100011218122 [1,0,0,0,0,1|2,0,0]=4 1054 B19R2.161089 CCCCc1ccc2cc(cnc2c1)C(=O)OC 271570a_100020621405_100010209555 [1,0,0,0,0,1|2,0,0]=4 1055 B19R2.161089 CCCCc1ccc2nc(ccc2c1)C(=O)OC 271570a_100020621405_100012354044 [1,0,0,0,0,1|1,0,1]=4 1056 B19R2.161089 CCCOc1ccc2cc(ccc2c1)C(=O)OC 34a_100000026998_100000210303 [1,0,0,0,0,1|1,0,0]=3 1057 B19R2.161089 CCCOc1ccc2cc(ccc2c1)C(=O)OC 7a_100000026998_100000210303 [1,0,0,0,0,1|1,0,0]=3 1058 B19R2.161089 CCCSc1ccc2cc(ccc2c1)C(=O)OC 62a_100000210303_100011218122 [1,0,0,0,0,1|1,1,0]=4 1059 B19R2.161089 CCCSc1ccc2cc(ccc2c1)C(=O)OC 62a_100011218122_100000210303 [1,0,0,0,0,1|1,1,0]=4 1060 B19R2.161089 CCCSc1ccc2cc(cnc2c1)C(=O)OC 62a_100000210303_100010209555 [1,0,0,0,0,1|1,1,0]=4 1061 B19R2.161089 CCCSc1ccc2cc(cnc2c1)C(=O)OC 62a_100010209555_100000210303 [1,0,0,0,0,1|1,1,0]=4 1062 B19R2.161089 CCCSc1ccc2nc(ccc2c1)C(=O)OC 62a_100012354044_100000210303 [1,0,0,0,0,1|0,1,1]=4 1063 B19R2.161089 COC(=O)c1ccc2cc(ccc2c1)OCCF 34a_100000026998_100011217306 [1,0,0,0,0,1|2,0,0]=4 1064 B19R2.161089 COC(=O)c1ccc2cc(ccc2c1)OCCF 7a_100000026998_100011217306 [1,0,0,0,0,1|2,0,0]=4 1065 B19R2.161089 COC(=O)c1ccc2cc(ccc2c1)OCCO 34a_100000026998_100000211926 [1,0,0,0,0,1|2,0,0]=4 1066 B19R2.161089 COC(=O)c1ccc2cc(ccc2c1)OCCO 7a_100000026998_100000211926 [1,0,0,0,0,1|2,0,0]=4 1067 B19R2.161089 COC(=O)c1ccc2cc(ccc2c1)OCSC 34a_100000026998_100011218213 [1,0,0,0,0,1|2,0,0]=4 1068 B19R2.513601 C=C(C)c1ccc2cc(ccc2c1)OCC(C)C 271570a_100000694244_200000170443 [1,0,0,0,0,1|2,0,0]=4 1069 B19R2.513601 CC(=O)c1ccc2cc(ccc2c1)OCC(C)C 34a_100000074906_100000210624 [1,0,0,0,0,1|1,0,0]=3 1070 B19R2.513601 CC(=O)c1ccc2cc(ccc2c1)OCC(C)C 7a_100000074906_100000210760 [1,0,0,0,0,1|1,0,0]=3 1071 B19R2.513601 CC(=O)c1ccc2cc(ccc2c1)OCC(C)O 34a_100000074906_100011218427 [1,0,0,0,0,1|2,0,0]=4 1072 B19R2.513601 CC(=O)c1ccc2cc(ccc2c1)OCC(C)O 7a_100000074906_100011218427 [1,0,0,0,0,1|2,0,0]=4 1073 B19R2.513601 CC(=O)c1ccc2cc(ccc2c1)OC[C@@H](C)O 34a_100000074906_100009817552 [1,0,0,0,0,1|2,0,0]=4 1074 B19R2.513601 CC(=O)c1ccc2cc(ccc2c1)OC[C@@H](C)O 7a_100000074906_100009817552 [1,0,0,0,0,1|2,0,0]=4 1075 B19R2.513601 CC(=O)c1ccc2cc(ccc2c1)SCC(C)C 62a_100000210624_100012339427 [1,0,0,0,0,1|1,1,0]=4 1076 B19R2.513601 CC(=O)c1ccc2cc(ccc2c1)SCC(C)C 62a_100012339427_100000210760 [1,0,0,0,0,1|1,1,0]=4 1077 B19R2.1014808 CC(=O)c1cc2cc(ccc2o1)C=CCC(C)C 271570a_100016259101_100000181247 [1,0,0,0,0,1|2,0,0]=4 1078 B19R2.1014808 CC(=O)c1cc2cc(ccc2o1)SCCC(C)C 62a_100000210312_100000181247 [1,0,0,0,0,1|1,1,0]=4 1079 B19R2.1014808 CC(=O)c1cc2cc(ccc2o1)SCOC(C)C 62a_100000709892_100000181247 [1,0,0,0,0,1|1,1,0]=4 1080 B19R2.1014808 CC(C)CC=Cc1ccc2[nH]c(cc2c1)C(=O)N 271570a_100016259101_100009814496 [1,0,0,0,0,1|2,0,0]=4 1081 B19R2.1014808 CC(C)CCSc1ccc2[nH]c(cc2c1)C(=O)N 62a_100000210312_100009814496 [1,0,0,0,0,1|1,1,0]=4 1082 B19R2.1014808 CC(C)OCSc1ccc2[nH]c(cc2c1)C(=O)N 62a_100000709892_100009814496 [1,0,0,0,0,1|1,1,0]=4 1083 B19R2.155633 COC(=O)C1=Cc2cc(ccc2OC1)SC(C)C 62a_100011192627_100000210206 [0,0,0,0,1,1|1,1,0]=4 1084 B19R2.155633 COC(=O)c1ccc2ccc(cc2c1)OC(C)C 34a_100010238490_100000210206 [0,0,0,0,1,1|1,0,0]=3 1085 B19R2.155633 COC(=O)c1ccc2ccc(cc2c1)OC(C)C 7a_100010238490_100000210206 [0,0,0,0,1,1|1,0,0]=3 1086 B19R2.155654 COC(=O)c1ccc2cc(ccc2c1)OC(C)C 34a_100000026998_100000210206 [0,0,0,0,1,1|1,0,0]=3 1087 B19R2.155654 COC(=O)c1ccc2cc(ccc2c1)OC(C)C 7a_100000026998_100000210206 [0,0,0,0,1,1|1,0,0]=3 1088 B19R2.155654 COC(=O)c1ccc2cc(ccc2c1)SC(C)C 62a_100000210206_100011218122 [0,0,0,0,1,1|1,1,0]=4 1089 B19R2.155654 COC(=O)c1ccc2cc(ccc2c1)SC(C)C 62a_100011218122_100000210206 [0,0,0,0,1,1|1,1,0]=4 1090 B19R2.155654 COC(=O)c1ccc2cc(ccc2n1)SC(C)C 62a_100012354044_100000210206 [0,0,0,0,1,1|0,1,1]=4 1091 B19R2.155654 COC(=O)c1cnc2cc(ccc2c1)NC(C)C 27a_100138425928_100010209555 [0,0,0,0,1,1|2,0,0]=4 1092 B19R2.155654 COC(=O)c1cnc2cc(ccc2c1)SC(C)C 62a_100000210206_100010209555 [0,0,0,0,1,1|1,1,0]=4 1093 B19R2.155654 COC(=O)c1cnc2cc(ccc2c1)SC(C)C 62a_100010209555_100000210206 [0,0,0,0,1,1|1,1,0]=4 1094 B21R2.376981 COC(=O)C1=Cc2cc(ccc2OC1)C=CCC(C)C 271570a_100016259101_100011192627 [0,0,0,0,0,2|2,0,0]=4 1095 B21R2.376981 COC(=O)C1=Cc2cc(ccc2OC1)SCCC(C)C 62a_100011192627_100000210312 [0,0,0,0,0,2|1,1,0]=4 1096 B21R2.376981 COC(=O)C1=Cc2cc(ccc2OC1)SCOC(C)C 62a_100011192627_100000709892 [0,0,0,0,0,2|1,1,0]=4 1097 B21R2.376981 COC(=O)c1ccc2ccc(cc2c1)COCC(C)C 34a_200010169309_100000210624 [0,0,0,0,0,2|1,0,0]=3 1098 B21R2.376981 COC(=O)c1ccc2ccc(cc2c1)COCC(C)C 7a_200010169309_100000210760 [0,0,0,0,0,2|1,0,0]=3 1099 B21R2.376981 COC(=O)c1ccc2ccc(cc2c1)COCC(C)O 34a_200010169309_100011218427 [0,0,0,0,0,2|2,0,0]=4 1100 B21R2.376981 COC(=O)c1ccc2ccc(cc2c1)COCC(C)O 7a_200010169309_100011218427 [0,0,0,0,0,2|2,0,0]=4 1101 B21R2.376981 COC(=O)c1ccc2ccc(cc2c1)COC[C@@H](C)O 34a_200010169309_100009817552 [0,0,0,0,0,2|2,0,0]=4 1102 B21R2.376981 COC(=O)c1ccc2ccc(cc2c1)COC[C@@H](C)O 7a_200010169309_100009817552 [0,0,0,0,0,2|2,0,0]=4 1103 B21R2.376981 COC(=O)c1ccc2ccc(cc2c1)OCC=C(C)C 34a_100010238490_100000761012 [0,0,0,0,0,2|1,0,1]=4 1104 B21R2.376981 COC(=O)c1ccc2ccc(cc2c1)OCC=C(C)C 7a_100010238490_100000761012 [0,0,0,0,0,2|1,0,1]=4 1105 B21R2.376981 COC(=O)c1ccc2ccc(cc2c1)OCCC(C)C 34a_100010238490_100000210312 [0,0,0,0,0,2|1,0,0]=3 1106 B21R2.376981 COC(=O)c1ccc2ccc(cc2c1)OCCC(C)C 7a_100010238490_100000210626 [0,0,0,0,0,2|1,0,0]=3 1107 B21R2.376981 COC(=O)c1ccc2ccc(cc2c1)OCCC(C)O 34a_100010238490_100012276601 [0,0,0,0,0,2|2,0,0]=4 1108 B21R2.376981 COC(=O)c1ccc2ccc(cc2c1)OCCC(C)O 7a_100010238490_100012276601 [0,0,0,0,0,2|2,0,0]=4 1109 B21R2.376981 COC(=O)c1ccc2ccc(cc2c1)OCCN(C)C 7a_100010238490_100000755713 [0,0,0,0,0,2|2,0,0]=4 1110 B21R2.376981 COC(=O)c1ccc2ccc(cc2c1)OCOC(C)C 34a_100010238490_100000709892 [0,0,0,0,0,2|1,0,0]=3 1111 B21R2.882774 COC(=O)c1ccc2cc(ccc2c1)C=CCC(C)C 271570a_100016259101_100011218122 [0,0,0,0,0,2|2,0,0]=4 1112 B21R2.882774 COC(=O)c1ccc2cc(ccc2c1)OCC=C(C)C 34a_100000026998_100000761012 [0,0,0,0,0,2|1,0,1]=4 1113 B21R2.882774 COC(=O)c1ccc2cc(ccc2c1)OCC=C(C)C 7a_100000026998_100000761012 [0,0,0,0,0,2|1,0,1]=4 1114 B21R2.882774 COC(=O)c1ccc2cc(ccc2c1)OCCC(C)C 34a_100000026998_100000210312 [0,0,0,0,0,2|1,0,0]=3 1115 B21R2.882774 COC(=O)c1ccc2cc(ccc2c1)OCCC(C)C 7a_100000026998_100000210626 [0,0,0,0,0,2|1,0,0]=3 1116 B21R2.882774 COC(=O)c1ccc2cc(ccc2c1)OCCC(C)O 34a_100000026998_100012276601 [0,0,0,0,0,2|2,0,0]=4 1117 B21R2.882774 COC(=O)c1ccc2cc(ccc2c1)OCCC(C)O 7a_100000026998_100012276601 [0,0,0,0,0,2|2,0,0]=4 1118 B21R2.882774 COC(=O)c1ccc2cc(ccc2c1)OCCN(C)C 7a_100000026998_100000755713 [0,0,0,0,0,2|2,0,0]=4 1119 B21R2.882774 COC(=O)c1ccc2cc(ccc2c1)OCOC(C)C 34a_100000026998_100000709892 [0,0,0,0,0,2|1,0,0]=3 1120 B21R2.882774 COC(=O)c1ccc2cc(ccc2c1)SCCC(C)C 62a_100000210312_100011218122 [0,0,0,0,0,2|1,1,0]=4 1121 B21R2.882774 COC(=O)c1ccc2cc(ccc2c1)SCCC(C)C 62a_100011218122_100000210312 [0,0,0,0,0,2|1,1,0]=4 1122 B21R2.882774 COC(=O)c1ccc2cc(ccc2c1)SCOC(C)C 62a_100000709892_100011218122 [0,0,0,0,0,2|1,1,0]=4 1123 B21R2.882774 COC(=O)c1ccc2cc(ccc2c1)SCOC(C)C 62a_100011218122_100000709892 [0,0,0,0,0,2|1,1,0]=4 1124 B21R2.882774 COC(=O)c1ccc2cc(ccc2n1)C=CCC(C)C 271570a_100016259101_100012354044 [0,0,0,0,0,2|1,0,1]=4 1125 B21R2.882774 COC(=O)c1ccc2cc(ccc2n1)SCCC(C)C 62a_100012354044_100000210312 [0,0,0,0,0,2|0,1,1]=4 1126 B21R2.882774 COC(=O)c1ccc2cc(ccc2n1)SCOC(C)C 62a_100012354044_100000709892 [0,0,0,0,0,2|0,1,1]=4 1127 B21R2.882774 COC(=O)c1cnc2cc(ccc2c1)C=CCC(C)C 271570a_100016259101_100010209555 [0,0,0,0,0,2|2,0,0]=4 1128 B21R2.882774 COC(=O)c1cnc2cc(ccc2c1)NCCC(C)C 27a_100000210545_100010209555 [0,0,0,0,0,2|2,0,0]=4 1129 B21R2.882774 COC(=O)c1cnc2cc(ccc2c1)SCCC(C)C 62a_100000210312_100010209555 [0,0,0,0,0,2|1,1,0]=4 1130 B21R2.882774 COC(=O)c1cnc2cc(ccc2c1)SCCC(C)C 62a_100010209555_100000210312 [0,0,0,0,0,2|1,1,0]=4 1131 B21R2.882774 COC(=O)c1cnc2cc(ccc2c1)SCOC(C)C 62a_100000709892_100010209555 [0,0,0,0,0,2|1,1,0]=4 1132 B21R2.882774 COC(=O)c1cnc2cc(ccc2c1)SCOC(C)C 62a_100010209555_100000709892 [0,0,0,0,0,2|1,1,0]=4 1133 B21R2.379417 COC(=O)c1cc2cc(ccc2[nH]1)SCCC=C(C)C 62a_100011217483_100009814476 [0,0,0,0,0,2|0,1,1]=4 1134 B21R2.379417 COC(=O)c1cc2cc(ccc2[nH]1)SCCCC(C)C 62a_100011214892_100009814476 [0,0,0,0,0,2|0,1,0]=3 1135 B21R2.379417 COC(=O)c1cc2cc(ccc2[nH]1)SCCCC(C)O 62a_200000718107_100009814476 [0,0,0,0,0,2|1,1,0]=4 1136 B21R2.379417 COC(=O)c1cc2cc(ccc2[nH]1)SCCOC(C)C 62a_100000211751_100009814476 [0,0,0,0,0,2|0,1,0]=3 1137 B21R2.379417 COC(=O)c1cc2cc(ccc2[nH]1)SCCSC(C)C 62a_100000730970_100009814476 [0,0,0,0,0,2|0,1,0]=3 1138 B21R2.379417 COC(=O)c1cc2cc(cnc2[nH]1)SCCCC(C)C 62a_100011214892_100010113459 [0,0,0,0,0,2|1,1,0]=4 1139 B21R2.379417 COC(=O)c1cc2cc(cnc2[nH]1)SCCOC(C)C 62a_100000211751_100010113459 [0,0,0,0,0,2|1,1,0]=4 1140 B21R2.379417 COC(=O)c1cc2cc(cnc2[nH]1)SCCSC(C)C 62a_100000730970_100010113459 [0,0,0,0,0,2|1,1,0]=4 1141 B21R2.379417 COC(=O)c1cc2ccc(cc2[nH]1)OCCCC(C)C 34a_100000101677_100011214892 [0,0,0,0,0,2|2,0,0]=4 1142 B21R2.379417 COC(=O)c1cc2ccc(cc2[nH]1)OCCOC(C)C 34a_100000101677_100000211751 [0,0,0,0,0,2|2,0,0]=4 1143 B21R2.379417 COC(=O)c1cc2ccc(cc2[nH]1)OCCSC(C)C 34a_100000101677_100000730970 [0,0,0,0,0,2|2,0,0]=4