0 B21R2.107795 CC(=O)OCC(O)COc1cccc2c1ccc(c2)Br 34a_100010202202_200000139349 [0,1,0,0,0,0|2,0,1]=4 1 B21R2.107795 CC(=O)OCC(O)COc1cccc2c1ccc(c2)Br 7a_100010202202_200000139349 [0,1,0,0,0,0|2,0,1]=4 2 B21R2.107795 CC(=O)OCC(O)COc1cccc2c1ccc(c2)F 34a_100009846233_200000139349 [0,1,0,0,0,0|2,0,1]=4 3 B21R2.107795 CC(=O)OCC(O)COc1cccc2c1ccc(c2)F 7a_100009846233_200000139349 [0,1,0,0,0,0|2,0,1]=4 4 B21R2.107795 CC(=O)OCC(O)COc1cccc2c1ccc(c2)N 34a_100000035793_200000139349 [0,1,0,0,0,0|2,0,1]=4 5 B21R2.210872 CC(=O)OCC(O)COc1cc(cc2c1cccc2)Br 34a_100010089979_200000139349 [0,1,0,0,0,0|2,0,1]=4 6 B21R2.210872 CC(=O)OCC(O)COc1cc(cc2c1cccc2)Br 7a_100010089979_200000139349 [0,1,0,0,0,0|2,0,1]=4 7 B21R2.226912 CC(=O)OCC(O)COc1c(ccc2c1cccc2)Br 34a_100009996032_200000139349 [0,1,0,0,0,0|2,0,1]=4 8 B21R2.226912 CC(=O)OCC(O)COc1c(ccc2c1cccc2)Br 7a_100009996032_200000139349 [0,1,0,0,0,0|2,0,1]=4 9 B21R2.226912 CC(=O)OCC(O)COc1c(ccc2c1cccc2)C 34a_100000039261_200000139349 [0,1,0,0,0,0|2,0,1]=4 10 B21R2.226912 CC(=O)OCC(O)COc1c(ccc2c1cccc2)C 7a_100000039261_200000139349 [0,1,0,0,0,0|2,0,1]=4 11 B21R2.226912 CC(=O)OCC(O)COc1c(ccc2c1cccc2)N 34a_100000007060_200000139349 [0,1,0,0,0,0|2,0,1]=4 12 B21R2.3237171 CC(=O)OCC(O)COc1cccc2c1cc(cc2)Br 34a_100010089991_200000139349 [0,1,0,0,0,0|2,0,1]=4 13 B21R2.3237171 CC(=O)OCC(O)COc1cccc2c1cc(cc2)Br 7a_100010089991_200000139349 [0,1,0,0,0,0|2,0,1]=4 14 B21R2.3237171 CC(=O)OCC(O)COc1cccc2c1cc(cc2)C 34a_100000040781_200000139349 [0,1,0,0,0,0|2,0,1]=4 15 B21R2.3237171 CC(=O)OCC(O)COc1cccc2c1cc(cc2)C 7a_100000040781_200000139349 [0,1,0,0,0,0|2,0,1]=4 16 B21R2.3237171 CC(=O)OCC(O)COc1cccc2c1cc(cc2)Cl 34a_100009840344_200000139349 [0,1,0,0,0,0|2,0,1]=4 17 B21R2.3237171 CC(=O)OCC(O)COc1cccc2c1cc(cc2)Cl 7a_100009840344_200000139349 [0,1,0,0,0,0|2,0,1]=4 18 B21R2.3237171 CC(=O)OCC(O)COc1cccc2c1cc(cc2)F 34a_100009881884_200000139349 [0,1,0,0,0,0|2,0,1]=4 19 B21R2.3237171 CC(=O)OCC(O)COc1cccc2c1cc(cc2)F 7a_100009881884_200000139349 [0,1,0,0,0,0|2,0,1]=4 20 B21R2.3237171 CC(=O)OCC(O)COc1cccc2c1cc(cc2)N 34a_100132313934_200000139349 [0,1,0,0,0,0|2,0,1]=4 21 B21R2.3237171 CC(=O)OCC(O)COc1cccc2c1cc(cc2)N 7a_100132313934_200000139349 [0,1,0,0,0,0|2,0,1]=4 22 B21R2.4389558 CC(=O)OCC(O)COc1cccc2c1cccc2Br 34a_100010003857_200000139349 [0,1,0,0,0,0|2,0,1]=4 23 B21R2.4389558 CC(=O)OCC(O)COc1cccc2c1cccc2Br 7a_100010003857_200000139349 [0,1,0,0,0,0|2,0,1]=4 24 B21R2.4389558 CC(=O)OCC(O)COc1cccc2c1cccc2N 34a_100000210686_200000139349 [0,1,0,0,0,0|2,0,1]=4 25 B21R2.4494802 CC(=O)OCC(O)COc1ccc(c2c1cccc2)Br 34a_100000186334_200000139349 [0,1,0,0,0,0|2,0,1]=4 26 B21R2.4494802 CC(=O)OCC(O)COc1ccc(c2c1cccc2)Br 7a_100000186334_200000139349 [0,1,0,0,0,0|2,0,1]=4 27 B21R2.4494802 CC(=O)OCC(O)COc1ccc(c2c1cccc2)C 34a_100000074455_200000139349 [0,1,0,0,0,0|2,0,1]=4 28 B21R2.4494802 CC(=O)OCC(O)COc1ccc(c2c1cccc2)C 7a_100000074455_200000139349 [0,1,0,0,0,0|2,0,1]=4 29 B21R2.4494802 CC(=O)OCC(O)COc1ccc(c2c1cccc2)Cl 34a_100000211000_200000139349 [0,1,0,0,0,0|2,0,1]=4 30 B21R2.4494802 CC(=O)OCC(O)COc1ccc(c2c1cccc2)Cl 7a_100000211000_200000139349 [0,1,0,0,0,0|2,0,1]=4 31 B21R2.4494802 CC(=O)OCC(O)COc1ccc(c2c1cccc2)F 34a_100000100223_200000139349 [0,1,0,0,0,0|2,0,1]=4 32 B21R2.4494802 CC(=O)OCC(O)COc1ccc(c2c1cccc2)F 7a_100000100223_200000139349 [0,1,0,0,0,0|2,0,1]=4 33 B21R2.4494802 CC(=O)OCC(O)COc1ccc(c2c1cccc2)N 34a_100000705857_200000139349 [0,1,0,0,0,0|2,0,1]=4 34 B21R2.4494802 CC(=O)OCC(O)COc1ccc(c2c1cccc2)N 7a_100000705857_200000139349 [0,1,0,0,0,0|2,0,1]=4 35 B21R2.4494802 CC(C)CCC(=O)COc1ccc(c2c1cccc2)Br 1458a_100009812199_100000210312 [0,1,0,0,0,0|1,0,2]=4 36 B21R2.4494802 CC(C)CCC(=O)COc1ccc(c2c1cccc2)Cl 1458a_100000191257_100000210312 [0,1,0,0,0,0|1,0,2]=4 37 B21R2.4494802 CC(C)NNC(=O)COc1ccc(c2c1cccc2)Br 22a_100000741168_100009812199 [0,1,0,0,0,0|1,0,2]=4 38 B21R2.4494802 CC(C)NNC(=O)COc1ccc(c2c1cccc2)Cl 22a_100000741168_100000191257 [0,1,0,0,0,0|1,0,2]=4 39 B21R2.5137648 CC(C)NCC(COc1cccc2c1cccc2)O[13CH3] 34a_100015191191_200025704644 [0,1,0,0,0,0|0,0,0]=1 40 B21R2.5137648 COC(CNC(C)C)COc1cccc2c1cccc2 34a_100015191191_200000210301 [0,1,0,0,0,0|0,0,0]=1 41 B21R2.18016266 CC(=O)OCC(O)COc1cccc2c1c(ccc2)Br 34a_100010089961_200000139349 [0,1,0,0,0,0|2,0,1]=4 42 B21R2.18016266 CC(=O)OCC(O)COc1cccc2c1c(ccc2)Br 7a_100010089961_200000139349 [0,1,0,0,0,0|2,0,1]=4 43 B21R2.19801284 CC(C)C(=O)CC(=O)COc1cccc2c1cccc2 1458a_100000183701_100000753385 [0,1,0,0,0,0|1,0,2]=4 44 B21R2.19801284 CC(C)N(C)CC(=O)CCc1cccc2c1cccc2 1458a_100000743827_100011290781 [0,1,0,0,0,0|1,0,2]=4 45 B21R2.19801284 CC(C)N(C)CC(O)COc1cccc2c1cccc2 2230a_100015191191_200000210301 [0,1,0,0,0,0|0,0,0]=1 46 B21R2.19801284 CC(C)N(C)CC(O)COc1cccc2c1cccc2 269982a_100015191191_200000210301 [0,1,0,0,0,0|0,0,0]=1 47 B21R2.19801284 CC(C)N(C)CC(O)COc1cccc2c1cccc2 34a_100015191191_200000210301 [0,1,0,0,0,0|0,0,0]=1 48 B21R2.19801284 CC(C)N([13CH3])CC(O)COc1cccc2c1cccc2 2230a_100015191191_200025704644 [0,1,0,0,0,0|0,0,0]=1 49 B21R2.19801284 CC(C)N([13CH3])CC(O)COc1cccc2c1cccc2 269982a_100015191191_200025704644 [0,1,0,0,0,0|0,0,0]=1 50 B21R2.19801284 CC(C)N([13CH3])CC(O)COc1cccc2c1cccc2 34a_100015191191_200025704644 [0,1,0,0,0,0|0,0,0]=1 51 B21R2.19801284 CC(COc1cccc2c1cccc2)NC(C)C(C)C 270004a_100000211541_100000150771 [0,1,0,0,0,0|3,0,0]=4 52 B21R2.19804084 CC(C)CC(C)C(=O)COc1cccc2c1cccc2 1458a_100000183701_100000731052 [0,1,0,0,0,0|1,0,2]=4 53 B21R2.19804084 CC(C)CN(C)C(C)COc1cccc2c1cccc2 270004a_100000747067_100000150771 [0,1,0,0,0,0|3,0,0]=4 54 B21R2.19996915 CC(=NNC(C)(C)C)COc1cccc2c1cccc2 4a_100000725372_100000150771 [0,1,0,0,0,0|2,0,1]=4 55 B21R2.19996915 CC(C)(C)CCC(=O)COc1cccc2c1cccc2 1458a_100000183701_100000755188 [0,1,0,0,0,0|1,0,2]=4 56 B21R2.19996915 CC(C)(C)NNC(=O)COc1cccc2c1cccc2 22a_100000725372_100000183701 [0,1,0,0,0,0|1,0,2]=4 57 B21R2.19996915 CC(COc1cccc2c1cccc2)NCC(C)(C)C 270004a_100000743828_100000150771 [0,1,0,0,0,0|3,0,0]=4 58 B21R2.19996915 CC(COc1cccc2c1cccc2)NCC(C)(C)F 270004a_100020643315_100000150771 [0,1,0,0,0,0|3,0,0]=4 59 B21R2.19996915 CC(COc1cccc2c1cccc2)NCC(C)(C)O 270004a_100000751335_100000150771 [0,1,0,0,0,0|3,0,0]=4 60 B21R2.25117337 CCC(C)CNC(C)COc1cccc2c1cccc2 270004a_100020588543_100000150771 [0,1,0,0,0,0|3,0,0]=4 61 B21R2.25117337 CCC(C)NN=C(C)COc1cccc2c1cccc2 4a_100000718999_100000150771 [0,1,0,0,0,0|2,0,1]=4 62 B21R2.25117337 CCC(C)NNC(=O)COc1cccc2c1cccc2 22a_100000718999_100000183701 [0,1,0,0,0,0|1,0,2]=4 63 B21R2.25117337 CO[C@H](C)CNC(C)COc1cccc2c1cccc2 270004a_100020591295_100000150771 [0,1,0,0,0,0|3,0,0]=4 64 B21R2.26598662 CC(C)CCC(=O)C(C)Oc1cccc2c1cccc2 1458a_100000216494_100000210312 [0,1,0,0,0,0|1,0,2]=4 65 B21R2.26598662 CC(C)NNC(=O)C(C)Oc1cccc2c1cccc2 22a_100000741168_100000216494 [0,1,0,0,0,0|1,0,2]=4 66 B21R2.8014671 CC(=O)OCC(O)COCc1cccc2c1cccc2 34a_100011216843_200000139349 [0,0,0,0,0,1|2,0,1]=4 67 B21R2.8014671 CC(=O)OCC(O)COCc1cccc2c1cccc2 7a_100011216843_200000139349 [0,0,0,0,0,1|2,0,1]=4 68 B21R2.8014671 CC(C)CCC(=O)CCOc1cccc2c1cccc2 1458a_100000181311_100000745918 [0,0,0,0,0,1|1,0,2]=4 69 B21R2.8014671 CC(C)CCC(=O)CCOc1cccc2c1cccc2 1458a_100000737181_100000210312 [0,0,0,0,0,1|1,0,2]=4 70 B21R2.8014671 CC(C)CCC(C)NCCc1cccc2c1cccc2 2230a_100000751862_100011261404 [0,0,0,0,0,1|3,0,0]=4 71 B21R2.8014671 CC(C)CCC(C)NCCc1cccc2c1cccc2 2230a_100138410893_100011290781 [0,0,0,0,0,1|3,0,0]=4 72 B21R2.8014671 CC(C)CCC(C)NCCc1cccc2c1cccc2 270004a_100000751862_100000210476 [0,0,0,0,0,1|3,0,0]=4 73 B21R2.8014671 CC(C)CCC(C)NCCc1cccc2c1cccc2 34a_100000751862_100011261404 [0,0,0,0,0,1|3,0,0]=4 74 B21R2.8014671 CC(C)CCN(C)CCOc1cccc2c1cccc2 2230a_100000742789_100000745918 [0,0,0,0,0,1|3,0,0]=4 75 B21R2.8014671 CC(C)CCN(C)CCOc1cccc2c1cccc2 269982a_100000742789_100000745918 [0,0,0,0,0,1|3,0,0]=4 76 B21R2.8014671 CC(C)NCC(=O)NCCc1cccc2c1cccc2 2230a_100138425928_100000742146 [0,0,0,0,0,1|1,0,2]=4 77 B21R2.8014671 CC(C)NCC(=O)NCCc1cccc2c1cccc2 34a_100138425928_100000742146 [0,0,0,0,0,1|1,0,2]=4 78 B21R2.8014671 CC(C)NNC(=O)CCOc1cccc2c1cccc2 22a_100000741168_100000737181 [0,0,0,0,0,1|1,0,2]=4 79 B21R2.8014671 CC(C)OCC(=O)CCOc1cccc2c1cccc2 1458a_100000745533_100000745918 [0,0,0,0,0,1|1,0,2]=4 80 B21R2.8014671 CC(C)SCC(=O)CCOc1cccc2c1cccc2 1458a_100000241585_100000745918 [0,0,0,0,0,1|1,0,2]=4 81 B21R2.26604040 CC(=CCNC(C)COc1cccc2c1cccc2)C 270004a_100000718196_100000150771 [0,0,0,0,0,1|2,0,1]=4 82 B21R2.26604040 CC(C)CCCC(=O)COc1cccc2c1cccc2 1458a_100000183701_100011214892 [0,0,0,0,0,1|1,0,2]=4 83 B21R2.26604040 CC(C)CCNC(=O)COc1cccc2c1cccc2 11a_100000210545_100000183701 [0,0,0,0,0,1|1,0,2]=4 84 B21R2.26604040 CC(C)CCNC(=O)COc1cccc2c1cccc2 1626a_100000210545_100000183701 [0,0,0,0,0,1|1,0,2]=4 85 B21R2.26604040 CC(C)CCNC(=O)COc1cccc2c1cccc2 240690a_100000210545_100000183701 [0,0,0,0,0,1|1,0,2]=4 86 B21R2.26604040 CC(C)CCNC(=O)COc1cccc2c1cccc2 527a_100000210545_100000183701 [0,0,0,0,0,1|1,0,2]=4 87 B21R2.26604040 CC(C)CCNC(C)COc1cccc2c1cccc2 270004a_100000210545_100000150771 [0,0,0,0,0,1|2,0,0]=3 88 B21R2.26604040 CC(C)CNNC(=O)COc1cccc2c1cccc2 22a_100000696102_100000183701 [0,0,0,0,0,1|1,0,2]=4 89 B21R2.26604040 CC(C)OCCC(=O)COc1cccc2c1cccc2 1458a_100000183701_100000211751 [0,0,0,0,0,1|1,0,2]=4 90 B21R2.26604040 CC(C)SCCC(=O)COc1cccc2c1cccc2 1458a_100000183701_100000730970 [0,0,0,0,0,1|1,0,2]=4 91 B21R2.26604040 CC(COc1cccc2c1cccc2)NCCN(C)C 270004a_100000210585_100000150771 [0,0,0,0,0,1|3,0,0]=4 92 B21R2.26604040 CC(O)CCNC(C)COc1cccc2c1cccc2 270004a_200000755665_100000150771 [0,0,0,0,0,1|3,0,0]=4 93 B22R2.34758728 CC(C)N(C)CC(=O)CCOc1cccc2c1cccc2 1458a_100000743827_100000745918 [0,1,0,0,0,1|0,0,2]=4 94 B22R2.48361585 CC(C)CCC(C)C(=O)COc1cccc2c1cccc2 1458a_100000183701_100011261404 [0,1,0,0,0,1|2,0,0]=4 95 B22R2.34797131 CC(COc1cccc2c1cccc2)NCC(O)C(C)C 270004a_100000759067_100000150771 [0,1,0,0,0,1|2,0,0]=4 96 B22R2.48358208 CC(C)CC(C)NC(C)COc1cccc2c1cccc2 270004a_100000692259_100000150771 [0,1,0,0,0,1|2,0,0]=4 97 B22R2.48358208 CC(C)NC(=O)CC(=O)COc1cccc2c1cccc2 1458a_100000183701_100000183996 [0,1,0,0,0,1|0,0,2]=4 98 B22R2.48739985 CC(CO)CCNC(C)COc1cccc2c1cccc2 270004a_106354213184_100000150771 [0,1,0,0,0,1|2,0,0]=4 99 B22R2.48739985 CCC(C)CCNC(C)COc1cccc2c1cccc2 270004a_100020591266_100000150771 [0,1,0,0,0,1|2,0,0]=4 100 B22R2.126818474 CC(COc1cccc2c1cccc2)NCCC(C)(C)C 270004a_100000738805_100000150771 [0,1,0,0,0,1|2,0,0]=4 101 B22R2.126818474 CC(COc1cccc2c1cccc2)NCCC(C)(C)F 270004a_100016253952_100000150771 [0,1,0,0,0,1|2,0,0]=4 102 B22R2.126818474 CC(COc1cccc2c1cccc2)NCCC(C)(C)O 270004a_100000707701_100000150771 [0,1,0,0,0,1|2,0,0]=4 103 B22R2.2194573 CC(C)NCC(COc1cccc2c1cccc2)OCF 34a_100015191191_100015361967 [0,2,0,0,0,0|0,0,0]=2 104 B22R2.2194573 CCOC(CNC(C)C)COc1cccc2c1cccc2 34a_100015191191_100000210202 [0,2,0,0,0,0|0,0,0]=2 105 B22R2.6562583 CC(C)N(CF)CC(O)COc1cccc2c1cccc2 269982a_100015191191_100015361967 [0,2,0,0,0,0|0,0,0]=2 106 B22R2.6562583 CC(C)N(CF)CC(O)COc1cccc2c1cccc2 34a_100015191191_100015361967 [0,2,0,0,0,0|0,0,0]=2 107 B22R2.6562583 CCN(CC(O)COc1cccc2c1cccc2)C(C)C 2230a_100015191191_100000210202 [0,2,0,0,0,0|0,0,0]=2 108 B22R2.6562583 CCN(CC(O)COc1cccc2c1cccc2)C(C)C 269982a_100015191191_100000204670 [0,2,0,0,0,0|0,0,0]=2 109 B22R2.6562583 CCN(CC(O)COc1cccc2c1cccc2)C(C)C 34a_100015191191_100000210202 [0,2,0,0,0,0|0,0,0]=2 110 B22R3.1189 C[C@H]1CN[C@@H](CN1)COCc2cccc3c2cccc3 34a_100160570299_100011261445 [0,0,0,1,0,1|1,0,0]=3 111 B22R3.1189 C[C@H]1CN[C@@H](CN1)COCc2cccc3c2ccnc3 34a_100160570299_100016989825 [0,0,0,1,0,1|2,0,0]=4 112 B22R3.1189 C[C@H]1CN[C@@H](CN1)COCc2cccc3c2nccc3 34a_100160570299_100000241032 [0,0,0,1,0,1|2,0,0]=4 113 B22R3.1189 C[C@H]1CN[C@@H](CN1)COCc2ccnc3c2cccc3 34a_100160570299_100015192512 [0,0,0,1,0,1|2,0,0]=4 114 B22R3.1189 C[C@H]1CN[C@@H](CN1)COCc2nccc3c2cccc3 34a_100160570299_100000033776 [0,0,0,1,0,1|2,0,0]=4 115 B22R3.5722021 CC1(OCC(O1)COCc2cccc3c2cccc3)C 34a_100000729170_100011261445 [0,0,0,1,0,1|1,0,0]=3 116 B22R3.5722021 CC1(OCC(O1)COCc2cccc3c2cccc3)C 7a_100000729170_100011261445 [0,0,0,1,0,1|1,0,0]=3 117 B22R3.5722021 CC1(OCC(O1)COCc2cccc3c2ccnc3)C 34a_100000729170_100016989825 [0,0,0,1,0,1|2,0,0]=4 118 B22R3.5722021 CC1(OCC(O1)COCc2cccc3c2ccnc3)C 7a_100000729170_100016989825 [0,0,0,1,0,1|2,0,0]=4 119 B22R3.5722021 CC1(OCC(O1)COCc2cccc3c2nccc3)C 34a_100000729170_100000241032 [0,0,0,1,0,1|2,0,0]=4 120 B22R3.5722021 CC1(OCC(O1)COCc2cccc3c2nccc3)C 7a_100000729170_100000241032 [0,0,0,1,0,1|2,0,0]=4 121 B22R3.5722021 CC1(OCC(O1)COCc2ccnc3c2cccc3)C 34a_100000729170_100015192512 [0,0,0,1,0,1|2,0,0]=4 122 B22R3.5722021 CC1(OCC(O1)COCc2ccnc3c2cccc3)C 7a_100000729170_100015192512 [0,0,0,1,0,1|2,0,0]=4 123 B22R3.5722021 CC1(OCC(O1)COCc2nccc3c2cccc3)C 34a_100000729170_100000033776 [0,0,0,1,0,1|2,0,0]=4 124 B22R3.5722021 CC1(OCC(O1)COCc2nccc3c2cccc3)C 7a_100000729170_100000033776 [0,0,0,1,0,1|2,0,0]=4 125 B22R3.5722021 CC1(OCC(O1)CSCc2cccc3c2cccc3)C 62a_100000198056_100000188474 [0,0,0,1,0,1|1,1,0]=4 126 B22R3.5722021 CC1(OCC(O1)CSCc2cccc3c2cccc3)C 62a_100011261445_100000198056 [0,0,0,1,0,1|1,1,0]=4 127 B22R3.5722021 CC1(OC[C@@H](O1)CNCc2cccc3c2cccc3)C 207a_100015982057_100000210074 [0,0,0,1,0,1|2,0,0]=4 128 B22R3.5722021 CC1(OC[C@@H](O1)CNCc2cccc3c2cccc3)C 270004a_100000753325_100009815026 [0,0,0,1,0,1|2,0,0]=4 129 B22R3.5722021 CC1(OC[C@@H](O1)CNCc2cccc3c2cccc3)C 34a_100015982057_100011261445 [0,0,0,1,0,1|2,0,0]=4 130 B22R3.5722021 CC1(OC[C@@H](O1)COCc2cccc3c2cccc3)C 7a_100011216843_100015422573 [0,0,0,1,0,1|1,0,0]=3 131 B22R3.5722021 CC1(OC[C@@H](O1)CSCc2cccc3c2cccc3)C 62a_100011261445_100015422573 [0,0,0,1,0,1|1,1,0]=4 132 B22R3.5722021 CC1(OC[C@@H](O1)CSCc2cccc3c2cccc3)C 62a_100015422573_100000188474 [0,0,0,1,0,1|1,1,0]=4 133 B22R3.10659 CC(COc1cccc2c1cccc2)N3CC[C@H](C3)C 270004a_100016987628_100000150771 [0,0,0,1,0,1|2,0,0]=4 134 B22R3.35530 CC(C)N1CCC(C1)CNc2cccc3c2cccc3 34a_100000185869_100015187125 [0,0,0,1,0,1|2,0,0]=4 135 B22R3.35530 CC(C)N1CCC(C1)COc2cccc3c2cccc3 34a_100000210388_100015187125 [0,0,0,1,0,1|1,0,0]=3 136 B22R3.35530 CC(C)N1CCC(C1)COc2cccc3c2cccn3 34a_100011197808_100015187125 [0,0,0,1,0,1|2,0,0]=4 137 B22R3.35530 CC(C)N1CCC(C1)COc2cccc3c2ccnc3 34a_100011218533_100015187125 [0,0,0,1,0,1|2,0,0]=4 138 B22R3.35530 CC(C)N1CCC(C1)COc2cccc3c2cncc3 34a_103624766955_100015187125 [0,0,0,1,0,1|2,0,0]=4 139 B22R3.35530 CC(C)N1CCC(C1)COc2cccc3c2nccc3 34a_100000056035_100015187125 [0,0,0,1,0,1|2,0,0]=4 140 B22R3.35530 CC(C)N1CCC(C1)COc2cncc3c2cccc3 34a_100000066178_100015187125 [0,0,0,1,0,1|2,0,0]=4 141 B22R3.35530 CC(C)N1CCC(C1)COc2nccc3c2cccc3 34a_102531767632_100015187125 [0,0,0,1,0,1|2,0,0]=4 142 B22R3.35530 CC(C)N1CCC(C1)CSc2cccc3c2cccc3 62a_100015187125_100000210605 [0,0,0,1,0,1|1,1,0]=4 143 B22R3.789681 CC(COc1cccc2c1cccc2)NCCC3CC3 270004a_100000764129_100000150771 [0,0,0,1,0,1|2,0,0]=4 144 B22R3.258835 CC1(OC[C@@H](O1)COc2cccc3c2ccc(c3)Br)C 7a_100010202202_100015422573 [0,1,0,1,0,0|1,0,0]=3 145 B22R3.258835 CC1(OC[C@@H](O1)COc2cccc3c2ccc(c3)F)C 7a_100009846233_100015422573 [0,1,0,1,0,0|1,0,0]=3 146 B22R3.258835 CC1(OC[C@@H](O1)COc2cccc3c2ncc(c3)Cl)C 7a_100009858588_100015422573 [0,1,0,1,0,0|2,0,0]=4 147 B22R3.258835 Cc1cnc2c(cccc2c1)OC[C@H]3COC(O3)(C)C 7a_100000144662_100015422573 [0,1,0,1,0,0|2,0,0]=4 148 B22R3.630524 CC1(OCC(O1)CSc2cc(cc3c2cccc3)N)C 62a_100000198056_100010089974 [0,1,0,1,0,0|1,1,0]=4 149 B22R3.630524 CC1(OCC(O1)CSc2cc(cc3c2cccc3)N)C 62a_100010089974_100000198056 [0,1,0,1,0,0|1,1,0]=4 150 B22R3.630524 CC1(OCC(O1)CSc2cc(cc3c2cccc3)O)C 62a_100000198056_100010001680 [0,1,0,1,0,0|1,1,0]=4 151 B22R3.630524 CC1(OC[C@@H](O1)COc2cc(cc3c2cccc3)Br)C 7a_100010089979_100015422573 [0,1,0,1,0,0|1,0,0]=3 152 B22R3.630524 CC1(OC[C@@H](O1)COc2cc(cc3c2nccc3)Br)C 7a_100010248853_100015422573 [0,1,0,1,0,0|2,0,0]=4 153 B22R3.630524 CC1(OC[C@@H](O1)COc2cc(cc3c2nccc3)Cl)C 7a_200000089624_100015422573 [0,1,0,1,0,0|2,0,0]=4 154 B22R3.630524 CC1(OC[C@@H](O1)CSc2cc(cc3c2cccc3)N)C 62a_100010089974_100015422573 [0,1,0,1,0,0|1,1,0]=4 155 B22R3.630524 CC1(OC[C@@H](O1)CSc2cc(cc3c2cccc3)N)C 62a_100015422573_100010089974 [0,1,0,1,0,0|1,1,0]=4 156 B22R3.630524 CC1(OC[C@@H](O1)CSc2cc(cc3c2cccc3)O)C 62a_100015422573_100010001680 [0,1,0,1,0,0|1,1,0]=4 157 B22R3.630524 Cc1cc(c2ncccc2c1)OC[C@H]3COC(O3)(C)C 7a_100009888445_100015422573 [0,1,0,1,0,0|2,0,0]=4 158 B22R3.729412 CC1(OCC(O1)CSc2c(ccc3c2cccc3)Br)C 62a_100000198056_100010090040 [0,1,0,1,0,0|1,1,0]=4 159 B22R3.729412 CC1(OCC(O1)CSc2c(ccc3c2cccc3)Br)C 62a_100010090040_100000198056 [0,1,0,1,0,0|1,1,0]=4 160 B22R3.729412 CC1(OCC(O1)CSc2c(ccc3c2cccc3)N)C 62a_100000198056_100000705303 [0,1,0,1,0,0|1,1,0]=4 161 B22R3.729412 CC1(OCC(O1)CSc2c(ccc3c2cccc3)N)C 62a_100000705303_100000198056 [0,1,0,1,0,0|1,1,0]=4 162 B22R3.729412 CC1(OCC(O1)CSc2c(ccc3c2cccc3)O)C 62a_100000198056_100000183829 [0,1,0,1,0,0|1,1,0]=4 163 B22R3.729412 CC1(OC[C@@H](O1)COc2c(ccc3c2cccc3)Br)C 7a_100009996032_100015422573 [0,1,0,1,0,0|1,0,0]=3 164 B22R3.729412 CC1(OC[C@@H](O1)COc2c(ccc3c2nccc3)Cl)C 7a_100000700379_100015422573 [0,1,0,1,0,0|2,0,0]=4 165 B22R3.729412 CC1(OC[C@@H](O1)CSc2c(ccc3c2cccc3)Br)C 62a_100010090040_100015422573 [0,1,0,1,0,0|1,1,0]=4 166 B22R3.729412 CC1(OC[C@@H](O1)CSc2c(ccc3c2cccc3)Br)C 62a_100015422573_100010090040 [0,1,0,1,0,0|1,1,0]=4 167 B22R3.729412 CC1(OC[C@@H](O1)CSc2c(ccc3c2cccc3)N)C 62a_100000705303_100015422573 [0,1,0,1,0,0|1,1,0]=4 168 B22R3.729412 CC1(OC[C@@H](O1)CSc2c(ccc3c2cccc3)N)C 62a_100015422573_100000705303 [0,1,0,1,0,0|1,1,0]=4 169 B22R3.729412 CC1(OC[C@@H](O1)CSc2c(ccc3c2cccc3)O)C 62a_100015422573_100000183829 [0,1,0,1,0,0|1,1,0]=4 170 B22R3.729412 Cc1ccc2ccccc2c1OC[C@H]3COC(O3)(C)C 7a_100000039261_100015422573 [0,1,0,1,0,0|1,0,0]=3 171 B22R3.729412 Cc1ccc2ccccc2c1SCC3COC(O3)(C)C 62a_100000198056_100000759710 [0,1,0,1,0,0|1,1,0]=4 172 B22R3.729412 Cc1ccc2ccccc2c1SCC3COC(O3)(C)C 62a_100000759710_100000198056 [0,1,0,1,0,0|1,1,0]=4 173 B22R3.729412 Cc1ccc2ccccc2c1SC[C@H]3COC(O3)(C)C 62a_100000759710_100015422573 [0,1,0,1,0,0|1,1,0]=4 174 B22R3.729412 Cc1ccc2ccccc2c1SC[C@H]3COC(O3)(C)C 62a_100015422573_100000759710 [0,1,0,1,0,0|1,1,0]=4 175 B22R3.5529316 CC1(OCC(O1)CSc2cccc3c2cc(cc3)O)C 62a_100000198056_100010169565 [0,1,0,1,0,0|1,1,0]=4 176 B22R3.5529316 CC1(OC[C@@H](O1)COc2cccc3c2cc(cc3)Br)C 7a_100010089991_100015422573 [0,1,0,1,0,0|1,0,0]=3 177 B22R3.5529316 CC1(OC[C@@H](O1)COc2cccc3c2cc(cc3)Cl)C 7a_100009840344_100015422573 [0,1,0,1,0,0|1,0,0]=3 178 B22R3.5529316 CC1(OC[C@@H](O1)COc2cccc3c2cc(cc3)F)C 7a_100009881884_100015422573 [0,1,0,1,0,0|1,0,0]=3 179 B22R3.5529316 CC1(OC[C@@H](O1)COc2cccc3c2cc(cc3)N)C 7a_100132313934_100015422573 [0,1,0,1,0,0|1,0,0]=3 180 B22R3.5529316 CC1(OC[C@@H](O1)COc2cccc3c2cc(cn3)Br)C 7a_200010153752_100015422573 [0,1,0,1,0,0|2,0,0]=4 181 B22R3.5529316 CC1(OC[C@@H](O1)COc2cccc3c2nc(cc3)Br)C 7a_100010153751_100015422573 [0,1,0,1,0,0|2,0,0]=4 182 B22R3.5529316 CC1(OC[C@@H](O1)COc2cccc3c2nc(cc3)Cl)C 7a_100000013812_100015422573 [0,1,0,1,0,0|2,0,0]=4 183 B22R3.5529316 CC1(OC[C@@H](O1)COc2cccc3c2nc(cc3)N)C 7a_100000032106_100015422573 [0,1,0,1,0,0|2,0,0]=4 184 B22R3.5529316 CC1(OC[C@@H](O1)COc2cncc3c2cc(cc3)Br)C 7a_100010136424_100015422573 [0,1,0,1,0,0|2,0,0]=4 185 B22R3.5529316 CC1(OC[C@@H](O1)CSc2cccc3c2cc(cc3)O)C 62a_100015422573_100010169565 [0,1,0,1,0,0|1,1,0]=4 186 B22R3.5529316 Cc1ccc2cccc(c2c1)OC[C@H]3COC(O3)(C)C 7a_100000040781_100015422573 [0,1,0,1,0,0|1,0,0]=3 187 B22R3.5529316 Cc1ccc2cccc(c2n1)OC[C@H]3COC(O3)(C)C 7a_100000184714_100015422573 [0,1,0,1,0,0|2,0,0]=4 188 B22R3.10422839 CC1(OCC(O1)CSc2cccc3c2cccc3F)C 62a_100000198056_100009817034 [0,1,0,1,0,0|1,1,0]=4 189 B22R3.10422839 CC1(OCC(O1)CSc2cccc3c2cccc3F)C 62a_100009817034_100000198056 [0,1,0,1,0,0|1,1,0]=4 190 B22R3.10422839 CC1(OCC(O1)CSc2cccc3c2cccc3N)C 62a_100009816864_100000198056 [0,1,0,1,0,0|1,1,0]=4 191 B22R3.10422839 CC1(OCC(O1)CSc2cccc3c2cccc3O)C 62a_100000198056_100010003857 [0,1,0,1,0,0|1,1,0]=4 192 B22R3.10422839 CC1(OC[C@@H](O1)COc2cccc3c2cccc3Br)C 7a_100010003857_100015422573 [0,1,0,1,0,0|1,0,0]=3 193 B22R3.10422839 CC1(OC[C@@H](O1)COc2cccc3c2nccc3Br)C 7a_100000703299_100015422573 [0,1,0,1,0,0|2,0,0]=4 194 B22R3.10422839 CC1(OC[C@@H](O1)CSc2cccc3c2cccc3F)C 62a_100009817034_100015422573 [0,1,0,1,0,0|1,1,0]=4 195 B22R3.10422839 CC1(OC[C@@H](O1)CSc2cccc3c2cccc3F)C 62a_100015422573_100009817034 [0,1,0,1,0,0|1,1,0]=4 196 B22R3.10422839 CC1(OC[C@@H](O1)CSc2cccc3c2cccc3N)C 62a_100009816864_100015422573 [0,1,0,1,0,0|1,1,0]=4 197 B22R3.10422839 CC1(OC[C@@H](O1)CSc2cccc3c2cccc3O)C 62a_100015422573_100010003857 [0,1,0,1,0,0|1,1,0]=4 198 B22R3.10422839 Cc1ccnc2c1cccc2OC[C@H]3COC(O3)(C)C 7a_100000702989_100015422573 [0,1,0,1,0,0|2,0,0]=4 199 B22R3.11004408 CC1(OCC(O1)CSc2ccc(c3c2cccc3)Br)C 62a_100000198056_100012339872 [0,1,0,1,0,0|1,1,0]=4 200 B22R3.11004408 CC1(OCC(O1)CSc2ccc(c3c2cccc3)Br)C 62a_100012339872_100000198056 [0,1,0,1,0,0|1,1,0]=4 201 B22R3.11004408 CC1(OCC(O1)CSc2ccc(c3c2cccc3)F)C 62a_100000198056_100011218216 [0,1,0,1,0,0|1,1,0]=4 202 B22R3.11004408 CC1(OCC(O1)CSc2ccc(c3c2cccc3)F)C 62a_100011218216_100000198056 [0,1,0,1,0,0|1,1,0]=4 203 B22R3.11004408 CC1(OCC(O1)CSc2ccc(c3c2cccc3)N)C 62a_100000766797_100000198056 [0,1,0,1,0,0|1,1,0]=4 204 B22R3.11004408 CC1(OCC(O1)CSc2ccc(c3c2cccc3)O)C 62a_100000198056_100000186334 [0,1,0,1,0,0|1,1,0]=4 205 B22R3.11004408 CC1(OC[C@@H](O1)COc2ccc(c3c2cccc3)Br)C 7a_100000186334_100015422573 [0,1,0,1,0,0|1,0,0]=3 206 B22R3.11004408 CC1(OC[C@@H](O1)COc2ccc(c3c2cccc3)Cl)C 7a_100000211000_100015422573 [0,1,0,1,0,0|1,0,0]=3 207 B22R3.11004408 CC1(OC[C@@H](O1)COc2ccc(c3c2cccc3)F)C 7a_100000100223_100015422573 [0,1,0,1,0,0|1,0,0]=3 208 B22R3.11004408 CC1(OC[C@@H](O1)COc2ccc(c3c2cccc3)N)C 7a_100000705857_100015422573 [0,1,0,1,0,0|1,0,0]=3 209 B22R3.11004408 CC1(OC[C@@H](O1)COc2ccc(c3c2nccc3)Br)C 7a_100011934063_100015422573 [0,1,0,1,0,0|2,0,0]=4 210 B22R3.11004408 CC1(OC[C@@H](O1)COc2ccc(c3c2nccc3)Cl)C 7a_100000212186_100015422573 [0,1,0,1,0,0|2,0,0]=4 211 B22R3.11004408 CC1(OC[C@@H](O1)COc2ccc(c3c2nccc3)F)C 7a_100000034212_100015422573 [0,1,0,1,0,0|2,0,0]=4 212 B22R3.11004408 CC1(OC[C@@H](O1)COc2cnc(c3c2cccc3)Cl)C 7a_100000067196_100015422573 [0,1,0,1,0,0|2,0,0]=4 213 B22R3.11004408 CC1(OC[C@@H](O1)CSc2ccc(c3c2cccc3)Br)C 62a_100012339872_100015422573 [0,1,0,1,0,0|1,1,0]=4 214 B22R3.11004408 CC1(OC[C@@H](O1)CSc2ccc(c3c2cccc3)Br)C 62a_100015422573_100012339872 [0,1,0,1,0,0|1,1,0]=4 215 B22R3.11004408 CC1(OC[C@@H](O1)CSc2ccc(c3c2cccc3)F)C 62a_100011218216_100015422573 [0,1,0,1,0,0|1,1,0]=4 216 B22R3.11004408 CC1(OC[C@@H](O1)CSc2ccc(c3c2cccc3)F)C 62a_100015422573_100011218216 [0,1,0,1,0,0|1,1,0]=4 217 B22R3.11004408 CC1(OC[C@@H](O1)CSc2ccc(c3c2cccc3)N)C 62a_100000766797_100015422573 [0,1,0,1,0,0|1,1,0]=4 218 B22R3.11004408 CC1(OC[C@@H](O1)CSc2ccc(c3c2cccc3)O)C 62a_100015422573_100000186334 [0,1,0,1,0,0|1,1,0]=4 219 B22R3.11004408 Cc1ccc(c2c1cccc2)OC[C@H]3COC(O3)(C)C 7a_100000074455_100015422573 [0,1,0,1,0,0|1,0,0]=3 220 B22R3.11004408 Cc1ccc(c2c1cccc2)SCC3COC(O3)(C)C 62a_100000198056_100011215156 [0,1,0,1,0,0|1,1,0]=4 221 B22R3.11004408 Cc1ccc(c2c1cccc2)SCC3COC(O3)(C)C 62a_100011215156_100000198056 [0,1,0,1,0,0|1,1,0]=4 222 B22R3.11004408 Cc1ccc(c2c1cccc2)SC[C@H]3COC(O3)(C)C 62a_100011215156_100015422573 [0,1,0,1,0,0|1,1,0]=4 223 B22R3.11004408 Cc1ccc(c2c1cccc2)SC[C@H]3COC(O3)(C)C 62a_100015422573_100011215156 [0,1,0,1,0,0|1,1,0]=4 224 B22R3.11004408 Cc1ccc(c2c1cccn2)OC[C@H]3COC(O3)(C)C 7a_100000058672_100015422573 [0,1,0,1,0,0|2,0,0]=4 225 B22R3.71386690 CC1(OCC(O1)CSc2cccc3c2c(ccc3)Br)C 62a_100000198056_100010243825 [0,1,0,1,0,0|1,1,0]=4 226 B22R3.71386690 CC1(OCC(O1)CSc2cccc3c2c(ccc3)Br)C 62a_100010243825_100000198056 [0,1,0,1,0,0|1,1,0]=4 227 B22R3.71386690 CC1(OCC(O1)CSc2cccc3c2c(ccc3)F)C 62a_100000198056_100010177852 [0,1,0,1,0,0|1,1,0]=4 228 B22R3.71386690 CC1(OCC(O1)CSc2cccc3c2c(ccc3)F)C 62a_100010177852_100000198056 [0,1,0,1,0,0|1,1,0]=4 229 B22R3.71386690 CC1(OCC(O1)CSc2cccc3c2c(ccc3)N)C 62a_100010002837_100000198056 [0,1,0,1,0,0|1,1,0]=4 230 B22R3.71386690 CC1(OCC(O1)CSc2cccc3c2c(ccc3)O)C 62a_100000198056_100010089961 [0,1,0,1,0,0|1,1,0]=4 231 B22R3.71386690 CC1(OC[C@@H](O1)CNc2cccc3c2c(ccc3)F)C 7a_100009878580_100015422573 [0,1,0,1,0,0|2,0,0]=4 232 B22R3.71386690 CC1(OC[C@@H](O1)COc2cccc3c2[n+](ccc3)[O-])C 7a_100000039631_100015422573 [0,1,0,1,0,0|2,0,0]=4 233 B22R3.71386690 CC1(OC[C@@H](O1)COc2cccc3c2c(=O)[nH]cc3)C 7a_200010358299_100015422573 [0,1,0,1,0,0|2,0,0]=4 234 B22R3.71386690 CC1(OC[C@@H](O1)COc2cccc3c2c(=O)cco3)C 7a_100000040341_100015422573 [0,1,0,1,0,0|2,0,0]=4 235 B22R3.71386690 CC1(OC[C@@H](O1)COc2cccc3c2c(ccc3)Br)C 7a_100010089961_100015422573 [0,1,0,1,0,0|1,0,0]=3 236 B22R3.71386690 CC1(OC[C@@H](O1)CSc2cccc3c2c(ccc3)Br)C 62a_100010243825_100015422573 [0,1,0,1,0,0|1,1,0]=4 237 B22R3.71386690 CC1(OC[C@@H](O1)CSc2cccc3c2c(ccc3)Br)C 62a_100015422573_100010243825 [0,1,0,1,0,0|1,1,0]=4 238 B22R3.71386690 CC1(OC[C@@H](O1)CSc2cccc3c2c(ccc3)F)C 62a_100010177852_100015422573 [0,1,0,1,0,0|1,1,0]=4 239 B22R3.71386690 CC1(OC[C@@H](O1)CSc2cccc3c2c(ccc3)F)C 62a_100015422573_100010177852 [0,1,0,1,0,0|1,1,0]=4 240 B22R3.71386690 CC1(OC[C@@H](O1)CSc2cccc3c2c(ccc3)N)C 62a_100010002837_100015422573 [0,1,0,1,0,0|1,1,0]=4 241 B22R3.71386690 CC1(OC[C@@H](O1)CSc2cccc3c2c(ccc3)O)C 62a_100015422573_100010089961 [0,1,0,1,0,0|1,1,0]=4 242 B22R3.71386690 Cc1cccc2c1c(ccc2)NC[C@H]3COC(O3)(C)C 7a_100009841044_100015422573 [0,1,0,1,0,0|2,0,0]=4 243 B22R3.71386690 Cc1cccc2c1c(ccc2)SCC3COC(O3)(C)C 62a_100000198056_100009995290 [0,1,0,1,0,0|1,1,0]=4 244 B22R3.71386690 Cc1cccc2c1c(ccc2)SC[C@H]3COC(O3)(C)C 62a_100015422573_100009995290 [0,1,0,1,0,0|1,1,0]=4 245 B22R3.314 COC1CCC(CC1)COc2cccc3c2cccc3 34a_100000210388_100013032858 [0,1,0,1,0,0|2,0,0]=4 246 B22R3.314 COC1CCC(CC1)COc2cccc3c2cccc3 7a_100000210388_100013032858 [0,1,0,1,0,0|2,0,0]=4 247 B22R3.12517912 CC1(OCC(O1)CC(=O)c2cccc3c2cccc3)C 1458a_100000210949_100000198056 [0,1,0,1,0,0|2,0,0]=4 248 B22R3.12517912 CC1(OC[C@@H](O1)CC(=O)c2cccc3c2cccc3)C 1458a_100000210949_100015422573 [0,1,0,1,0,0|2,0,0]=4 249 B22R3.12517912 CN(CC1COC(O1)(C)C)c2cccc3c2cccc3 2230a_100000220138_100009884615 [0,1,0,1,0,0|2,0,0]=4 250 B22R3.12517912 CN(CC1COC(O1)(C)C)c2cccc3c2cccc3 269982a_100000220138_100000198056 [0,1,0,1,0,0|2,0,0]=4 251 B22R3.12517912 CN(C[C@H]1COC(O1)(C)C)c2cccc3c2cccc3 2230a_100000220138_100015422573 [0,1,0,1,0,0|2,0,0]=4 252 B22R3.12517912 CN(C[C@H]1COC(O1)(C)C)c2cccc3c2cccc3 269982a_100000220138_100015422573 [0,1,0,1,0,0|2,0,0]=4 253 B22R2.12358924 CC(C)CCC(C)NCCOc1cccc2c1cccc2 2230a_100000742599_100011261404 [0,0,0,0,0,2|2,0,0]=4 254 B22R2.12358924 CC(C)CCC(C)NCCOc1cccc2c1cccc2 2230a_100138410893_100000745918 [0,0,0,0,0,2|2,0,0]=4 255 B22R2.12358924 CC(C)CCC(C)NCCOc1cccc2c1cccc2 270004a_100000742599_100000210476 [0,0,0,0,0,2|2,0,0]=4 256 B22R2.12358924 CC(C)CCC(C)NCCOc1cccc2c1cccc2 34a_100000742599_100011261404 [0,0,0,0,0,2|2,0,0]=4 257 B22R2.34908158 CC(C)CCCNC(C)COc1cccc2c1cccc2 270004a_200000737386_100000150771 [0,0,0,0,0,2|2,0,0]=4 258 B22R2.34908158 CC(COc1cccc2c1cccc2)NCCOC(C)C 270004a_100000701111_100000150771 [0,0,0,0,0,2|2,0,0]=4 259 B22R2.34908158 CC(COc1cccc2c1cccc2)NCCSC(C)C 270004a_100000731138_100000150771 [0,0,0,0,0,2|2,0,0]=4