0 B21R2.13270 CCN(CC(C)C)C(c1ccccc1)c2ccccc2 2230a_100000738554_100000211591 [0,0,1,0,0,0|2,0,0]=3 1 B21R2.13270 CCN(CC(C)C)C(c1ccccc1)c2ccccc2 269982a_100000738554_100000211591 [0,0,1,0,0,0|2,0,0]=3 2 B21R2.13270 CCN(CC(C)C)C(c1ccccc1)c2ccccc2 270004a_100000738554_100000210122 [0,0,1,0,0,0|2,0,0]=3 3 B21R2.13270 CCN(CC(C)C)C(c1ccccc1)c2ccccn2 270004a_100000738554_100000210380 [0,0,1,0,0,0|3,0,0]=4 4 B21R2.13270 CCN(CC(C)C)C(c1ccccc1)c2cccnc2 270004a_100000738554_100000735413 [0,0,1,0,0,0|3,0,0]=4 5 B21R2.13270 CCN(C[C@H](C)O)C(c1ccccc1)c2ccccc2 2230a_100000729506_100000211591 [0,0,1,0,0,0|3,0,0]=4 6 B21R2.13270 CCN(C[C@H](C)O)C(c1ccccc1)c2ccccc2 269982a_100000729506_100000211591 [0,0,1,0,0,0|3,0,0]=4 7 B21R2.13270 CCN(C[C@H](C)O)C(c1ccccc1)c2ccccc2 270004a_100000729506_100000210122 [0,0,1,0,0,0|3,0,0]=4 8 B21R2.25778 CC(CC(c1ccccc1)c2ccccc2)NCCO 270004a_100000210304_200000011111 [0,0,1,0,0,0|1,0,2]=4 9 B21R2.25778 CCC#CC(C)OC(c1ccccc1)c2ccccc2 7a_100000033903_100011216954 [0,0,1,0,0,0|2,0,1]=4 10 B21R2.25778 CCCCC(C)NC(c1ccccc1)c2ccccc2 2230a_100000126638_100000211591 [0,0,1,0,0,0|2,0,1]=4 11 B21R2.25778 CCCCC(C)NC(c1ccccc1)c2ccccc2 2230a_100000162943_200011215066 [0,0,1,0,0,0|2,0,1]=4 12 B21R2.25778 CCCCC(C)NC(c1ccccc1)c2ccccc2 270004a_100000126638_100000210122 [0,0,1,0,0,0|2,0,1]=4 13 B21R2.25778 CCCCC(C)NC(c1ccccc1)c2ccccc2 270004a_100000162943_100000210087 [0,0,1,0,0,0|2,0,1]=4 14 B21R2.25778 CCCCC(C)NC(c1ccccc1)c2ccccc2 34a_100000162943_200011215066 [0,0,1,0,0,0|2,0,1]=4 15 B21R2.25778 CCCNC(C)CC(c1ccccc1)c2ccccc2 270004a_100020643023_200000011111 [0,0,1,0,0,0|0,0,2]=3 16 B21R2.25778 CCNN=C(C)CC(c1ccccc1)c2ccccc2 4a_100000756455_200000011111 [0,0,1,0,0,0|1,0,1]=3 17 B21R2.25778 CCOCC(C)OC(c1ccccc1)c2ccccc2 7a_100000718985_100011216954 [0,0,1,0,0,0|3,0,0]=4 18 B21R2.25778 CCSCC(C)NC(c1ccccc1)c2ccccc2 270004a_100000162943_200011216171 [0,0,1,0,0,0|3,0,0]=4 19 B21R2.287706 CCCC(C(=O)CC)(c1ccccc1)c2ccccc2 1458a_100020600600_100000210202 [0,0,1,0,0,0|1,0,0]=2 20 B21R2.287706 CCCC(C(=O)CF)(c1ccccc1)c2ccccc2 1458a_100020600600_100015361967 [0,0,1,0,0,0|2,0,0]=3 21 B21R2.287706 CCCC(C(=O)NC)(c1ccccc1)c2ccccc2 11a_106832991635_100020600600 [0,0,1,0,0,0|2,0,0]=3 22 B21R2.287706 CCCC(C(=O)NC)(c1ccccc1)c2ccccc2 1626a_100102657272_100020600600 [0,0,1,0,0,0|2,0,0]=3 23 B21R2.287706 CCCC(C(=O)NC)(c1ccccc1)c2ccccc2 240690a_100102657272_100020600600 [0,0,1,0,0,0|2,0,0]=3 24 B21R2.287706 CCCC(C(=O)NC)(c1ccccc1)c2ccccc2 527a_100102657272_100020600600 [0,0,1,0,0,0|2,0,0]=3 25 B21R2.287706 CCOC(C(=O)CC)(c1ccccc1)c2ccccc2 1458a_100000684328_100000210202 [0,0,1,0,0,0|2,0,0]=3 26 B21R2.287706 CCOC(C(=O)CF)(c1ccccc1)c2ccccc2 1458a_100000684328_100015361967 [0,0,1,0,0,0|3,0,0]=4 27 B21R2.287706 CCOC(C(=O)NC)(c1ccccc1)c2ccccc2 11a_106832991635_100000684328 [0,0,1,0,0,0|3,0,0]=4 28 B21R2.287706 CCOC(C(=O)NC)(c1ccccc1)c2ccccc2 1626a_100102657272_100000684328 [0,0,1,0,0,0|3,0,0]=4 29 B21R2.287706 CCOC(C(=O)NC)(c1ccccc1)c2ccccc2 240690a_100102657272_100000684328 [0,0,1,0,0,0|3,0,0]=4 30 B21R2.287706 CCOC(C(=O)NC)(c1ccccc1)c2ccccc2 527a_100102657272_100000684328 [0,0,1,0,0,0|3,0,0]=4 31 B21R2.287706 CCSC(C(=O)CC)(c1ccccc1)c2ccccc2 1458a_200020658394_100000210202 [0,0,1,0,0,0|2,0,0]=3 32 B21R2.287706 CCSC(C(=O)CF)(c1ccccc1)c2ccccc2 1458a_200020658394_100015361967 [0,0,1,0,0,0|3,0,0]=4 33 B21R2.287706 CCSC(C(=O)NC)(c1ccccc1)c2ccccc2 11a_106832991635_200020658394 [0,0,1,0,0,0|3,0,0]=4 34 B21R2.287706 CCSC(C(=O)NC)(c1ccccc1)c2ccccc2 1626a_100102657272_200020658394 [0,0,1,0,0,0|3,0,0]=4 35 B21R2.287706 CCSC(C(=O)NC)(c1ccccc1)c2ccccc2 240690a_100102657272_200020658394 [0,0,1,0,0,0|3,0,0]=4 36 B21R2.287706 CCSC(C(=O)NC)(c1ccccc1)c2ccccc2 527a_100102657272_200020658394 [0,0,1,0,0,0|3,0,0]=4 37 B22R2.15692 CCN(CC(C)C)C(c1ccccc1)c2cccc(c2)F 270004a_100000738554_200011219850 [0,1,1,0,0,0|2,0,0]=4 38 B22R2.15695 CCN(CC(C)C)C(c1ccccc1)c2ccc(cc2)F 270004a_100000738554_100000210425 [0,1,1,0,0,0|2,0,0]=4 39 B22R2.41274 CC(C)CN(CCO)C(c1ccccc1)c2ccccc2 2230a_100015185251_100000211591 [0,1,1,0,0,0|2,0,0]=4 40 B22R2.41274 CC(C)CN(CCO)C(c1ccccc1)c2ccccc2 269982a_100015185251_100000211591 [0,1,1,0,0,0|2,0,0]=4 41 B22R2.41274 CC(C)CN(CCO)C(c1ccccc1)c2ccccc2 270004a_100015185251_100000210122 [0,1,1,0,0,0|2,0,0]=4 42 B22R2.363612 CCN(CC(C)C)C(c1ccccc1)c2ccccc2F 270004a_100000738554_100011217773 [0,1,1,0,0,0|2,0,0]=4 43 B22R2.747520 CCN(CC(C)(C)O)C(c1ccccc1)c2ccccc2 2230a_100000755687_100000211591 [0,1,1,0,0,0|2,0,0]=4 44 B22R2.747520 CCN(CC(C)(C)O)C(c1ccccc1)c2ccccc2 269982a_100000755687_100000211591 [0,1,1,0,0,0|2,0,0]=4 45 B22R2.747520 CCN(CC(C)(C)O)C(c1ccccc1)c2ccccc2 270004a_100000755687_100000210122 [0,1,1,0,0,0|2,0,0]=4 46 B22R2.2111 CC(=NNCCO)CC(c1ccccc1)c2ccccc2 4a_100000210001_200000011111 [0,1,1,0,0,0|1,0,1]=4 47 B22R2.2111 CC(CC(c1ccccc1)c2ccccc2)NCCCF 270004a_100015189416_200000011111 [0,1,1,0,0,0|0,0,2]=4 48 B22R2.2111 CC(CC(c1ccccc1)c2ccccc2)NCCCO 270004a_100000182051_200000011111 [0,1,1,0,0,0|0,0,2]=4 49 B22R2.2111 CCCCNC(C)CC(c1ccccc1)c2ccccc2 270004a_100000102301_200000011111 [0,1,1,0,0,0|0,0,2]=4 50 B22R2.2111 CCCNN=C(C)CC(c1ccccc1)c2ccccc2 4a_100000740057_200000011111 [0,1,1,0,0,0|0,0,2]=4 51 B22R2.2111 COCCNC(C)CC(c1ccccc1)c2ccccc2 270004a_100000209980_200000011111 [0,1,1,0,0,0|0,0,2]=4 52 B22R2.2111 CSCCNC(C)CC(c1ccccc1)c2ccccc2 270004a_100020590264_200000011111 [0,1,1,0,0,0|0,0,2]=4 53 B22R2.17430 CCCN(C)C(C)CC(c1ccccc1)c2ccccc2 270004a_100000747261_200000011111 [0,1,1,0,0,0|0,0,2]=4 54 B22R2.20358 CCC(C)NC(C)CC(c1ccccc1)c2ccccc2 270004a_100000209981_200000011111 [0,1,1,0,0,0|0,0,2]=4 55 B22R2.50919 CC(=NNC(C)C)CC(c1ccccc1)c2ccccc2 4a_100000741168_200000011111 [0,1,1,0,0,0|1,0,1]=4 56 B22R2.50919 CC(C)CNC(C)CC(c1ccccc1)c2ccccc2 270004a_100000210953_200000011111 [0,1,1,0,0,0|0,0,2]=4 57 B22R2.50919 CC(O)CNC(C)CC(c1ccccc1)c2ccccc2 270004a_100000210904_200000011111 [0,1,1,0,0,0|0,0,2]=4 58 B22R2.56535 C#CCC(=O)C(CCC)(c1ccccc1)c2ccccc2 1458a_100020600600_100000184674 [0,1,1,0,0,0|1,0,1]=4 59 B22R2.56535 C=CCC(=O)C(CCC)(c1ccccc1)c2ccccc2 1458a_100020600600_100000210623 [0,1,1,0,0,0|1,0,1]=4 60 B22R2.56535 CCCC(=O)C(OCC)(c1ccccc1)c2ccccc2 1458a_100000684328_100000210303 [0,1,1,0,0,0|2,0,0]=4 61 B22R2.56535 CCCC(C(=O)CC#N)(c1ccccc1)c2ccccc2 1458a_100020600600_100011214920 [0,1,1,0,0,0|1,0,1]=4 62 B22R2.56535 CCCC(C(=O)CCF)(c1ccccc1)c2ccccc2 1458a_100020600600_100011217306 [0,1,1,0,0,0|1,0,0]=3 63 B22R2.56535 CCCC(C(=O)CCO)(c1ccccc1)c2ccccc2 1458a_100020600600_100000211926 [0,1,1,0,0,0|1,0,0]=3 64 B22R2.56535 CCCC(C(=O)NCC)(c1ccccc1)c2ccccc2 11a_100015525214_100020600600 [0,1,1,0,0,0|1,0,0]=3 65 B22R2.56535 CCCC(C(=O)NCC)(c1ccccc1)c2ccccc2 240690a_100015525214_100020600600 [0,1,1,0,0,0|1,0,0]=3 66 B22R2.56535 CCCC(C(=O)NCC)(c1ccccc1)c2ccccc2 527a_100015525214_100020600600 [0,1,1,0,0,0|1,0,0]=3 67 B22R2.56535 CCCC(C(=O)NNC)(c1ccccc1)c2ccccc2 22a_100016993582_100020600600 [0,1,1,0,0,0|2,0,0]=4 68 B22R2.56535 CCNC(=O)C(OCC)(c1ccccc1)c2ccccc2 11a_100015525214_100000684328 [0,1,1,0,0,0|2,0,0]=4 69 B22R2.56535 CCNC(=O)C(OCC)(c1ccccc1)c2ccccc2 240690a_100015525214_100000684328 [0,1,1,0,0,0|2,0,0]=4 70 B22R2.56535 CCNC(=O)C(OCC)(c1ccccc1)c2ccccc2 527a_100015525214_100000684328 [0,1,1,0,0,0|2,0,0]=4 71 B22R2.56535 CCNC(=O)C(SCC)(c1ccccc1)c2ccccc2 11a_100015525214_200020658394 [0,1,1,0,0,0|2,0,0]=4 72 B22R2.56535 CCNC(=O)C(SCC)(c1ccccc1)c2ccccc2 240690a_100015525214_200020658394 [0,1,1,0,0,0|2,0,0]=4 73 B22R2.56535 CCNC(=O)C(SCC)(c1ccccc1)c2ccccc2 527a_100015525214_200020658394 [0,1,1,0,0,0|2,0,0]=4 74 B22R2.56535 CCOC(=O)C(OCC)(c1ccccc1)c2ccccc2 7a_200000018896_100000210202 [0,1,1,0,0,0|2,0,0]=4 75 B22R2.56535 CCOC(C(=O)CCF)(c1ccccc1)c2ccccc2 1458a_100000684328_100011217306 [0,1,1,0,0,0|2,0,0]=4 76 B22R2.56535 CCOC(C(=O)CCO)(c1ccccc1)c2ccccc2 1458a_100000684328_100000211926 [0,1,1,0,0,0|2,0,0]=4 77 B22R2.56535 CCSC(C(=O)CCF)(c1ccccc1)c2ccccc2 1458a_200020658394_100011217306 [0,1,1,0,0,0|2,0,0]=4 78 B22R2.56535 CCSC(C(=O)CCO)(c1ccccc1)c2ccccc2 1458a_200020658394_100000211926 [0,1,1,0,0,0|2,0,0]=4 79 B22R3.31859 C[C@H]1CCCN(C1)C(c2ccccc2)c3ccccc3 2230a_100000717927_100000211591 [0,0,1,1,0,0|2,0,0]=4 80 B22R3.31859 C[C@H]1CCCN(C1)C(c2ccccc2)c3ccccc3 269982a_100000717927_100000211591 [0,0,1,1,0,0|2,0,0]=4 81 B22R3.31859 C[C@H]1CCCN(C1)C(c2ccccc2)c3ccccc3 270004a_100000717927_100000210122 [0,0,1,1,0,0|2,0,0]=4 82 B22R3.50409 CC(C)CN1CCc2ccccc2[C@@H]1c3ccccc3 2230a_100010197342_100000210760 [0,0,1,1,0,0|2,0,0]=4 83 B22R3.50409 CC(C)CN1CCc2ccccc2[C@@H]1c3ccccc3 269982a_100010197342_100000210624 [0,0,1,1,0,0|2,0,0]=4 84 B22R3.50409 CC(C)CN1CCc2ccccc2[C@@H]1c3ccccc3 270004a_100010197342_100000210432 [0,0,1,1,0,0|2,0,0]=4 85 B22R3.50409 CC(C)CN1CCc2ccccc2[C@@H]1c3ccccc3 34a_100010197342_100000210624 [0,0,1,1,0,0|2,0,0]=4 86 B22R3.260221 CC1(CCN(C1)C(c2ccccc2)c3ccccc3)C 2230a_100000764714_100000211591 [0,0,1,1,0,0|2,0,0]=4 87 B22R3.260221 CC1(CCN(C1)C(c2ccccc2)c3ccccc3)C 269982a_100000764714_100000211591 [0,0,1,1,0,0|2,0,0]=4 88 B22R3.260221 CC1(CCN(C1)C(c2ccccc2)c3ccccc3)C 270004a_100000764714_100000210122 [0,0,1,1,0,0|2,0,0]=4 89 B22R3.83050301 CCN(CC(C)C)C1c2ccccc2-c3c1cccc3 2230a_100000738554_100000211598 [0,0,1,1,0,0|2,0,0]=4 90 B22R3.83050301 CCN(CC(C)C)C1c2ccccc2-c3c1cccc3 269982a_100000738554_100000211598 [0,0,1,1,0,0|2,0,0]=4 91 B22R3.3728 C1=CC(CCC1)NC(c2ccccc2)c3ccccc3 2230a_100000162943_100000751183 [0,0,1,1,0,0|2,0,0]=4 92 B22R3.3728 C1=CC(CCC1)OC(c2ccccc2)c3ccccc3 7a_100000211180_100000751183 [0,0,1,1,0,0|2,0,0]=4 93 B22R2.150464 CCCCC(C)NCC(c1ccccc1)c2ccccc2 2230a_100000739227_200011215066 [0,0,1,0,0,1|1,0,1]=4 94 B22R2.150464 CCCCC(C)NCC(c1ccccc1)c2ccccc2 270004a_100000739227_100000210087 [0,0,1,0,0,1|1,0,1]=4 95 B22R2.150464 CCCCC(C)NCC(c1ccccc1)c2ccccc2 34a_100000739227_200011215066 [0,0,1,0,0,1|1,0,1]=4 96 B22R2.150464 CCCOC(C)CNC(c1ccccc1)c2ccccc2 2230a_100015185124_100000211591 [0,0,1,0,0,1|1,0,1]=4 97 B22R2.150464 CCCOC(C)CNC(c1ccccc1)c2ccccc2 270004a_100015185124_100000210122 [0,0,1,0,0,1|1,0,1]=4 98 B22R2.150464 CCSCC(C)NCC(c1ccccc1)c2ccccc2 270004a_100000739227_200011216171 [0,0,1,0,0,1|2,0,0]=4