0 B24R4.2003238 Cc1nc(no1)C2CC2(c3ccccc3)c4ccccc4 270196a_100016989512_100000070787 [0,1,0,0,0,0|1,0,2]=4 1 B24R4.2003238 Oc1nc(no1)C2CC2(c3ccccc3)c4ccccc4 270196a_100016989512_100015183105 [0,1,0,0,0,0|1,0,2]=4 2 B22R3.74289 c1ccc(cc1)C(CCN2CCCC2)c3ccccc3 2230a_100000188435_100009813428 [0,0,1,0,0,0|3,0,0]=4 3 B22R3.74289 c1ccc(cc1)C(CCN2CCCC2)c3ccccc3 269982a_100000188435_100009813428 [0,0,1,0,0,0|3,0,0]=4 4 B22R3.74289 c1ccc(cc1)C(NCC2=NCCN2)c3ccccc3 34a_100000162943_100000737910 [0,0,1,0,0,0|1,0,0]=2 5 B22R3.74289 c1ccc(cc1)C(NCc2ncc[nH]2)c3ccccc3 207a_100000162943_100000743867 [0,0,1,0,0,0|1,0,2]=4 6 B22R3.74289 c1ccc(cc1)C(NCc2ncc[nH]2)c3ccccc3 2230a_100000162943_100016991755 [0,0,1,0,0,0|1,0,2]=4 7 B22R3.74289 c1ccc(cc1)C(NCc2ncc[nH]2)c3ccccc3 270004a_100000754540_100000210122 [0,0,1,0,0,0|1,0,2]=4 8 B22R3.74289 c1ccc(cc1)C(NCc2ncc[nH]2)c3ccccc3 34a_100000162943_100016991755 [0,0,1,0,0,0|1,0,2]=4 9 B22R3.74289 c1ccc(cc1)C(NCc2nnc[nH]2)c3ccccc3 2230a_200015183720_100000211591 [0,0,1,0,0,0|2,0,1]=4 10 B22R3.74289 c1ccc(cc1)C(NCc2nnn[nH]2)c3ccccc3 34a_100000162943_100000765167 [0,0,1,0,0,0|3,0,0]=4 11 B22R3.74289 c1ccc(cc1)C(OCC2=NCCN2)c3ccccc3 34a_100000211180_100000737910 [0,0,1,0,0,0|1,0,0]=2 12 B22R3.74289 c1ccc(cc1)C(OCC2=NCCN2)c3ccccc3 7a_100000211180_100000737910 [0,0,1,0,0,0|1,0,0]=2 13 B22R3.74289 c1ccc(cc1)C(OCC2=NCCN2)c3ccccn3 7a_100000180852_100000737910 [0,0,1,0,0,0|2,0,0]=3 14 B22R3.74289 c1ccc(cc1)C(OCc2ncc[nH]2)c3ccccc3 34a_100000211180_100016991755 [0,0,1,0,0,0|1,0,2]=4 15 B22R3.74289 c1ccc(cc1)C(OCc2ncc[nH]2)c3ccccc3 7a_100000211180_100000753453 [0,0,1,0,0,0|1,0,2]=4 16 B22R3.74289 c1ccc(cc1)C(OCc2nnn[nH]2)c3ccccc3 34a_100000211180_100000765167 [0,0,1,0,0,0|3,0,0]=4 17 B22R3.74289 c1ccc(cc1)C(OCc2nnn[nH]2)c3ccccc3 7a_100000211180_100000765167 [0,0,1,0,0,0|3,0,0]=4 18 B22R3.74289 c1ccc(cc1)C(SCC2=NCCN2)c3ccccc3 62a_100000211591_100000737910 [0,0,1,0,0,0|1,0,0]=2 19 B22R3.74289 c1ccc(cc1)C(SCC2=NCCN2)c3ccccc3 62a_100000737910_100011216954 [0,0,1,0,0,0|1,0,0]=2 20 B22R3.74289 c1ccc(cc1)C(SCc2ncc[nH]2)c3ccccc3 62a_100000211591_100016991755 [0,0,1,0,0,0|1,0,2]=4 21 B22R3.74289 c1ccc(cc1)C(SCc2ncc[nH]2)c3ccccc3 62a_100016991755_100011216954 [0,0,1,0,0,0|1,0,2]=4 22 B22R3.74289 c1ccc(cc1)C(SCc2nnn[nH]2)c3ccccc3 62a_100000211591_100000765167 [0,0,1,0,0,0|3,0,0]=4 23 B22R3.74289 c1ccc(cc1)C(SCc2nnn[nH]2)c3ccccc3 62a_100000765167_100011216954 [0,0,1,0,0,0|3,0,0]=4 24 B23R3.51183 CN(CC1=NCCN1)C(c2ccccc2)c3ccccc3 269982a_100103148541_100000737910 [0,1,1,0,0,0|1,0,0]=3 25 B23R3.136526 Brc1cccc(c1)C(NCC2=NCCN2)c3ccccc3 34a_100011212009_100000737910 [0,1,1,0,0,0|1,0,0]=3 26 B23R3.136526 Clc1cccc(c1)C(NCC2=NCCN2)c3ccccc3 34a_100000741085_100000737910 [0,1,1,0,0,0|1,0,0]=3 27 B23R3.136526 Clc1cccc(c1)C(OCC2=NCCN2)c3ccccc3 34a_100000733576_100000737910 [0,1,1,0,0,0|1,0,0]=3 28 B23R3.136526 Clc1cccc(c1)C(OCC2=NCCN2)c3ccccc3 7a_100000733576_100000737910 [0,1,1,0,0,0|1,0,0]=3 29 B23R3.136526 Fc1cccc(c1)C(NCC2=NCCN2)c3ccccc3 34a_100000686443_100000737910 [0,1,1,0,0,0|1,0,0]=3 30 B23R3.136526 Fc1cccc(c1)C(OCC2=NCCN2)c3ccccc3 34a_100000749007_100000737910 [0,1,1,0,0,0|1,0,0]=3 31 B23R3.136526 Fc1cccc(c1)C(OCC2=NCCN2)c3ccccc3 7a_100000749007_100000737910 [0,1,1,0,0,0|1,0,0]=3 32 B23R3.155183 Brc1ccccc1C(NCC2=NCCN2)c3ccccc3 34a_100011211563_100000737910 [0,1,1,0,0,0|1,0,0]=3 33 B23R3.155183 Cc1ccccc1C(NCC2=NCCN2)c3ccccc3 34a_100000222801_100000737910 [0,1,1,0,0,0|1,0,0]=3 34 B23R3.155183 Cc1ccccc1C(OCC2=NCCN2)c3ccccc3 34a_100000212071_100000737910 [0,1,1,0,0,0|1,0,0]=3 35 B23R3.155183 Cc1ccccc1C(OCC2=NCCN2)c3ccccc3 7a_100000212071_100000737910 [0,1,1,0,0,0|1,0,0]=3 36 B23R3.155183 Cc1ccccc1C(SCC2=NCCN2)c3ccccc3 62a_100000230135_100000737910 [0,1,1,0,0,0|1,0,0]=3 37 B23R3.155183 Cc1ccccc1C(SCC2=NCCN2)c3ccccc3 62a_100000737910_100000230135 [0,1,1,0,0,0|1,0,0]=3 38 B23R3.155183 Clc1ccccc1C(OCC2=NCCN2)c3ccccc3 34a_200011400577_100000737910 [0,1,1,0,0,0|1,0,0]=3 39 B23R3.155183 Clc1ccccc1C(OCC2=NCCN2)c3ccccc3 7a_200011400577_100000737910 [0,1,1,0,0,0|1,0,0]=3 40 B23R3.155183 Nc1ccccc1C(OCC2=NCCN2)c3ccccc3 34a_100000246470_100000737910 [0,1,1,0,0,0|1,0,0]=3 41 B23R3.155183 Nc1ccccc1C(OCC2=NCCN2)c3ccccc3 7a_100000246470_100000737910 [0,1,1,0,0,0|1,0,0]=3 42 B23R3.1300508 Brc1ccc(cc1)C(NCC2=NCCN2)c3ccccc3 34a_100000745999_100000737910 [0,1,1,0,0,0|1,0,0]=3 43 B23R3.1300508 Brc1ccc(cc1)C(OCC2=NCCN2)c3ccccc3 34a_100011217567_100000737910 [0,1,1,0,0,0|1,0,0]=3 44 B23R3.1300508 Brc1ccc(cc1)C(OCC2=NCCN2)c3ccccc3 7a_100011217567_100000737910 [0,1,1,0,0,0|1,0,0]=3 45 B23R3.1300508 Cc1ccc(cc1)C(NCC2=NCCN2)c3ccccc3 34a_100000736602_100000737910 [0,1,1,0,0,0|1,0,0]=3 46 B23R3.1300508 Cc1ccc(cc1)C(NCC2=NCCN2)c3ccncc3 34a_200015185284_100000737910 [0,1,1,0,0,0|2,0,0]=4 47 B23R3.1300508 Cc1ccc(cc1)C(OCC2=NCCN2)c3ccccc3 34a_100000212064_100000737910 [0,1,1,0,0,0|1,0,0]=3 48 B23R3.1300508 Cc1ccc(cc1)C(OCC2=NCCN2)c3ccccc3 7a_100000212064_100000737910 [0,1,1,0,0,0|1,0,0]=3 49 B23R3.1300508 Clc1ccc(cc1)C(NCC2=NCCN2)c3ccccc3 34a_100000737946_100000737910 [0,1,1,0,0,0|1,0,0]=3 50 B23R3.1300508 Clc1ccc(cc1)C(OCC2=NCCN2)c3ccccc3 34a_100000211768_100000737910 [0,1,1,0,0,0|1,0,0]=3 51 B23R3.1300508 Clc1ccc(cc1)C(OCC2=NCCN2)c3ccccc3 7a_100000211768_100000737910 [0,1,1,0,0,0|1,0,0]=3 52 B23R3.1300508 Clc1ccc(cc1)C(OCC2=NCCN2)c3ccccn3 34a_100000242608_100000737910 [0,1,1,0,0,0|2,0,0]=4 53 B23R3.1300508 Clc1ccc(cc1)C(SCC2=NCCN2)c3ccccc3 62a_100000211669_100000737910 [0,1,1,0,0,0|1,0,0]=3 54 B23R3.1300508 Clc1ccc(cc1)C(SCC2=NCCN2)c3ccccc3 62a_100000737910_100000211669 [0,1,1,0,0,0|1,0,0]=3 55 B23R3.1300508 Clc1ccc(cc1)C(SCC2=NCCN2)c3ccccn3 62a_100000737910_200010188304 [0,1,1,0,0,0|2,0,0]=4 56 B23R3.1300508 Clc1ccc(cc1)C(SCC2=NCCN2)c3ccccn3 62a_200010188304_100000737910 [0,1,1,0,0,0|2,0,0]=4 57 B23R3.1300508 Fc1ccc(cc1)C(NCC2=NCCN2)c3ccccc3 34a_100000737529_100000737910 [0,1,1,0,0,0|1,0,0]=3 58 B23R3.1300508 Fc1ccc(cc1)C(NCC2=NCCN2)c3ccncc3 34a_100000751741_100000737910 [0,1,1,0,0,0|2,0,0]=4 59 B23R3.1300508 Fc1ccc(cc1)C(OCC2=NCCN2)c3ccccc3 34a_200000246460_100000737910 [0,1,1,0,0,0|1,0,0]=3 60 B23R3.1300508 Fc1ccc(cc1)C(OCC2=NCCN2)c3ccccc3 7a_200000246460_100000737910 [0,1,1,0,0,0|1,0,0]=3 61 B23R3.1300508 Fc1ccc(cc1)C(OCC2=NCCN2)c3ccncc3 34a_100000748166_100000737910 [0,1,1,0,0,0|2,0,0]=4 62 B23R3.1300508 Nc1ccc(cc1)C(OCC2=NCCN2)c3ccccc3 34a_100011236343_100000737910 [0,1,1,0,0,0|1,0,0]=3 63 B23R3.1300508 Nc1ccc(cc1)C(OCC2=NCCN2)c3ccccc3 7a_100011236343_100000737910 [0,1,1,0,0,0|1,0,0]=3 64 B23R3.1300508 Oc1ccc(cc1)C(NCC2=NCCN2)c3ccccc3 34a_100000198503_100000737910 [0,1,1,0,0,0|1,0,0]=3 65 B23R3.1958141 CC(OCC1=NCCN1)(c2ccccc2)c3ccccc3 7a_100011202337_100000737910 [0,1,1,0,0,0|1,0,0]=3 66 B23R3.1958141 CC(OCC1=NCCN1)(c2ccccc2)c3ccccn3 7a_200000075192_100000737910 [0,1,1,0,0,0|2,0,0]=4 67 B23R3.3132 CO[C@H](C1CCCN1)C(c2ccccc2)c3ccccc3 34a_200016988295_200000210301 [0,1,1,0,0,0|1,0,1]=4 68 B23R3.3132 CO[C@H](C1CCCN1)C(c2ccccc2)c3ccccc3 7a_200016988295_200000210301 [0,1,1,0,0,0|1,0,1]=4 69 B23R3.3132 [13CH3]O[C@H](C1CCCN1)C(c2ccccc2)c3ccccc3 34a_200016988295_200025704644 [0,1,1,0,0,0|1,0,1]=4 70 B23R3.3132 [13CH3]O[C@H](C1CCCN1)C(c2ccccc2)c3ccccc3 7a_200016988295_200025704644 [0,1,1,0,0,0|1,0,1]=4 71 B21R2.2905 NCCCOCCC(c1ccccc1)c2ccccc2 34a_100000182051_100009813428 [0,0,2,0,0,0|2,0,0]=4 72 B21R2.541 CCCC(=O)CCC(c1ccccc1)c2ccccc2 1458a_100000211992_100009813428 [0,0,2,0,0,0|2,0,0]=4 73 B21R2.541 CCNC(=O)CCP(c1ccccc1)c2ccccc2 240690a_100015525214_100020644332 [0,0,2,0,0,0|2,0,0]=4 74 B21R2.541 CCNC(=O)CNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000183381 [0,0,2,0,0,0|2,0,0]=4 75 B21R2.541 CCNC(=O)CNC(c1ccccc1)c2ccccc2 2230a_100016988866_100000211591 [0,0,2,0,0,0|2,0,0]=4 76 B21R2.541 CCNC(=O)CNC(c1ccccc1)c2ccccc2 270004a_100016988866_100000210122 [0,0,2,0,0,0|2,0,0]=4 77 B21R2.541 CCNC(=O)CNC(c1ccccc1)c2ccccc2 34a_100000162943_100000183381 [0,0,2,0,0,0|2,0,0]=4 78 B21R2.541 CCNC(=O)COC(c1ccccc1)c2ccccc2 34a_100000211180_100000183381 [0,0,2,0,0,0|2,0,0]=4 79 B21R2.541 CCNC(=O)COC(c1ccccc1)c2ccccc2 7a_100000211180_100000183381 [0,0,2,0,0,0|2,0,0]=4 80 B21R2.541 CCNC(=O)CSC(c1ccccc1)c2ccccc2 11a_100015525214_100000683935 [0,0,2,0,0,0|2,0,0]=4 81 B21R2.541 CCNC(=O)CSC(c1ccccc1)c2ccccc2 240690a_100015525214_100000683935 [0,0,2,0,0,0|2,0,0]=4 82 B21R2.541 CCNC(=O)CSC(c1ccccc1)c2ccccc2 527a_100015525214_100000683935 [0,0,2,0,0,0|2,0,0]=4 83 B21R2.541 CCNC(=O)CSC(c1ccccc1)c2ccccc2 62a_100000183381_100011216954 [0,0,2,0,0,0|2,0,0]=4 84 B21R2.541 CCNC(=O)CSC(c1ccccc1)c2ccccc2 62a_100000211591_100000183381 [0,0,2,0,0,0|2,0,0]=4 85 B21R2.541 CCNC(=O)NCC(c1ccccc1)c2ccccc2 2708a_100000739227_100015525214 [0,0,2,0,0,0|2,0,0]=4 86 B21R2.541 CCNC(=O)NCC(c1ccccc1)c2ccccc2 2708a_100015525214_100000739227 [0,0,2,0,0,0|2,0,0]=4 87 B21R2.541 CCNC(=O)NCC(c1ccccc1)c2ccccc2 273464a_100000739227_100015525214 [0,0,2,0,0,0|2,0,0]=4 88 B21R2.541 CCNC(=O)NCC(c1ccccc1)c2ccccc2 273464a_100015525214_100000739227 [0,0,2,0,0,0|2,0,0]=4 89 B21R2.541 CCNC(=O)NCC(c1ccccc1)c2ccccc2 512a_100015525214_100000739227 [0,0,2,0,0,0|2,0,0]=4 90 B21R2.287641 CCNC(=O)N(C)C(c1ccccc1)c2ccccc2 2708a_100015525214_100103148541 [0,0,2,0,0,0|2,0,0]=4 91 B21R2.287641 CCNC(=O)N(C)C(c1ccccc1)c2ccccc2 273464a_100015525214_100103148541 [0,0,2,0,0,0|2,0,0]=4 92 B23R4.1517316 c1ccc2c(c1)-c3ccccc3C2OCC4=NCCN4 7a_100000211495_100000737910 [0,0,1,1,0,0|1,0,0]=3 93 B23R4.1517316 c1ccc2c(c1)-c3ccccc3C2SCC4=NCCN4 62a_100000211598_100000737910 [0,0,1,1,0,0|1,0,0]=3 94 B21R3.47849 c1ccc(cc1)C(NCC2=NCCN2)c3ccco3 34a_100015185865_100000737910 [0,0,1,0,1,0|2,0,0]=4 95 B21R3.47849 c1ccc(cc1)C(NCC2=NCCN2)c3cccs3 34a_100025760362_100000737910 [0,0,1,0,1,0|2,0,0]=4 96 B21R3.47849 c1ccc(cc1)C(NCC2=NCCN2)c3ccoc3 34a_100102946537_100000737910 [0,0,1,0,1,0|2,0,0]=4 97 B21R3.47850 c1ccc(cc1)C(CCN2CCC2)c3ccccc3 269982a_100000754969_100009813428 [0,0,1,0,1,0|2,0,0]=4 98 B23R3.1974208 c1ccc(cc1)CC(OCC2=NCCN2)c3ccccc3 34a_100000246494_100000737910 [0,0,1,0,0,1|1,0,0]=3 99 B23R3.1974208 c1ccc(cc1)CC(OCC2=NCCN2)c3ccccc3 7a_100000246494_100000737910 [0,0,1,0,0,1|1,0,0]=3 100 B23R3.3868845 c1ccc(cc1)C(CCSc2ncc[nH]2)c3ccccc3 62a_100009813428_100025796157 [0,0,1,0,0,1|0,0,2]=4 101 B23R3.3868845 c1ccc(cc1)C(CCSc2ncc[nH]2)c3ccccc3 62a_100025796157_100009813428 [0,0,1,0,0,1|0,0,2]=4 102 B23R3.3868845 c1ccc(cc1)C(CNCC2=NCCN2)c3ccccc3 34a_100000739227_100000737910 [0,0,1,0,0,1|0,0,0]=2 103 B23R3.3868845 c1ccc(cc1)C(CNCc2ncc[nH]2)c3ccccc3 207a_100000739227_100000743867 [0,0,1,0,0,1|0,0,2]=4 104 B23R3.3868845 c1ccc(cc1)C(CNCc2ncc[nH]2)c3ccccc3 2230a_100000739227_100016991755 [0,0,1,0,0,1|0,0,2]=4 105 B23R3.3868845 c1ccc(cc1)C(CNCc2ncc[nH]2)c3ccccc3 34a_100000739227_100016991755 [0,0,1,0,0,1|0,0,2]=4 106 B23R3.3868845 c1ccc(cc1)C(CNCc2nnn[nH]2)c3ccccc3 34a_100000739227_100000765167 [0,0,1,0,0,1|2,0,0]=4 107 B23R3.3868845 c1ccc(cc1)C(COCC2=NCCN2)c3ccccc3 34a_100011215272_100000737910 [0,0,1,0,0,1|0,0,0]=2 108 B23R3.3868845 c1ccc(cc1)C(COCC2=NCCN2)c3ccccc3 7a_100011215272_100000737910 [0,0,1,0,0,1|0,0,0]=2 109 B23R3.3868845 c1ccc(cc1)C(COCc2ncc[nH]2)c3ccccc3 34a_100011215272_100016991755 [0,0,1,0,0,1|0,0,2]=4 110 B23R3.3868845 c1ccc(cc1)C(COCc2ncc[nH]2)c3ccccc3 7a_100011215272_100000753453 [0,0,1,0,0,1|0,0,2]=4 111 B23R3.3868845 c1ccc(cc1)C(COCc2nnn[nH]2)c3ccccc3 34a_100011215272_100000765167 [0,0,1,0,0,1|2,0,0]=4 112 B23R3.3868845 c1ccc(cc1)C(COCc2nnn[nH]2)c3ccccc3 7a_100011215272_100000765167 [0,0,1,0,0,1|2,0,0]=4 113 B23R3.3868845 c1ccc(cc1)C(NCCc2ncc[nH]2)c3ccccc3 270004a_100000754300_100000210122 [0,0,1,0,0,1|0,0,2]=4 114 B23R3.3868845 c1ccc(cc1)C(OCCc2nnn[nH]2)c3ccccc3 7a_100000211180_100000031946 [0,0,1,0,0,1|2,0,0]=4 115 B23R3.3868845 c1ccc(cc1)C(SCCc2nnn[nH]2)c3ccccc3 62a_100000031946_100011216954 [0,0,1,0,0,1|2,0,0]=4 116 B23R3.3868845 c1ccc(cc1)C(SCCc2nnn[nH]2)c3ccccc3 62a_100000211591_100000031946 [0,0,1,0,0,1|2,0,0]=4