0 B13R2.521 Cc1cc(ncc1Br)OC2CC2 34a_100000766222_100000211595 [0,0,0,0,0,0|4,0,0]=4 1 B13R2.521 Cc1cc(ncc1Br)SC2CC2 62a_100012356354_100000211595 [0,0,0,0,0,0|4,0,0]=4 2 B13R2.521 Cc1cc(ncc1Cl)OC2CC2 34a_200000085746_100000211595 [0,0,0,0,0,0|4,0,0]=4 3 B13R2.521 Cc1cc(ncc1F)SC2CC2 62a_100009818257_100000211595 [0,0,0,0,0,0|4,0,0]=4 4 B13R2.521 Cc1cc(ncc1N)SC2CC2 62a_100000067204_100000211595 [0,0,0,0,0,0|4,0,0]=4 5 B13R2.521 Cc1cc(nnc1N)SC2CC2 62a_100153394926_100000211595 [0,0,0,0,0,0|3,0,1]=4 6 B13R2.521 Cc1ccc(cc1O)NC2CC2 34a_100000759471_100000211595 [0,0,0,0,0,0|4,0,0]=4 7 B13R2.521 Cc1ccc(cc1O)SC2CC2 62a_100000685420_100000211595 [0,0,0,0,0,0|4,0,0]=4 8 B13R2.521 Cc1cnc(cc1Br)OC2CC2 34a_100009831917_100000211595 [0,0,0,0,0,0|4,0,0]=4 9 B13R2.521 Cc1cnc(cc1C)SC2CC2 62a_100009850809_100000211595 [0,0,0,0,0,0|4,0,0]=4 10 B13R2.521 Cc1cnc(cc1F)NC2CC2 27a_100000212008_100009841206 [0,0,0,0,0,0|4,0,0]=4 11 B13R2.521 Cc1cnc(cc1F)SC2CC2 62a_100009841206_100000211595 [0,0,0,0,0,0|4,0,0]=4 12 B13R2.521 Cc1cnc(cc1N)SC2CC2 62a_100000126663_100000211595 [0,0,0,0,0,0|4,0,0]=4 13 B13R2.521 Cc1cnc(cc1O)SC2CC2 62a_100000704368_100000211595 [0,0,0,0,0,0|3,0,0]=3 14 B13R2.521 Cc1nc(c[nH]c1=O)SC2CC2 62a_100010363809_100000211595 [0,0,0,0,0,0|4,0,0]=4 15 B13R2.521 Cc1ncc(cc1O)SC2CC2 62a_100009864810_100000211595 [0,0,0,0,0,0|3,0,1]=4 16 B13R2.521 Clc1cc(ncc1Br)OC2CC2 34a_100010369989_100000211595 [0,0,0,0,0,0|4,0,0]=4 17 B13R2.521 Clc1cnc(cc1Cl)OC2CC2 34a_200000099200_100000211595 [0,0,0,0,0,0|4,0,0]=4 18 B13R2.521 Cn1cc(ncc1=O)SC2CC2 62a_100009843036_100000211595 [0,0,0,0,0,0|4,0,0]=4 19 B13R2.521 Nc1cc(ncc1F)SC2CC2 62a_100000126464_100000211595 [0,0,0,0,0,0|4,0,0]=4 20 B13R2.521 Nc1cc(ncc1O)SC2CC2 62a_100009819941_100000211595 [0,0,0,0,0,0|3,0,1]=4 21 B13R2.521 Nc1ccc(cc1O)SC2CC2 62a_100000739049_100000211595 [0,0,0,0,0,0|4,0,0]=4 22 B13R2.521 Nc1cnc(cc1N)SC2CC2 62a_100000067514_100000211595 [0,0,0,0,0,0|4,0,0]=4 23 B13R2.521 Nc1ncc(cc1O)SC2CC2 62a_100009819042_100000211595 [0,0,0,0,0,0|3,0,1]=4 24 B13R2.521 O=c1[nH]cc(cc1Br)SC2CC2 62a_100010125443_100000211595 [0,0,0,0,0,0|3,0,0]=3 25 B13R2.521 O=c1[nH]cc(cc1F)SC2CC2 62a_100000723523_100000211595 [0,0,0,0,0,0|3,0,0]=3 26 B13R2.521 Oc1cc(ccc1Br)SC2CC2 62a_100012356990_100000211595 [0,0,0,0,0,0|4,0,0]=4 27 B13R2.521 Oc1cc(ccc1Cl)NC2CC2 34a_100011934209_100000211595 [0,0,0,0,0,0|4,0,0]=4 28 B13R2.521 Oc1cc(ccc1Cl)SC2CC2 62a_100011356854_100000211595 [0,0,0,0,0,0|4,0,0]=4 29 B13R2.521 Oc1cc(ccc1F)NC2CC2 34a_100012017398_100000211595 [0,0,0,0,0,0|4,0,0]=4 30 B13R2.521 Oc1cc(ccc1F)SC2CC2 62a_100000686035_100000211595 [0,0,0,0,0,0|4,0,0]=4 31 B13R2.521 Oc1cc(cnc1F)SC2CC2 62a_100009819871_100000211595 [0,0,0,0,0,0|3,0,1]=4 32 B13R2.521 Oc1cc(ncc1F)SC2CC2 62a_100009854642_100000211595 [0,0,0,0,0,0|3,0,0]=3 33 B13R2.521 Oc1ccc(cc1O)NC2CC2 34a_100102946323_100000211595 [0,0,0,0,0,0|3,0,1]=4 34 B13R2.521 Oc1nc(ncc1F)NC2CC2 27a_100000212008_100011995740 [0,0,0,0,0,0|4,0,0]=4 35 B12R2.294 Brc1ccc(nc1)NC2CC2 27a_100000212008_100000686858 [1,0,0,0,0,0|3,0,0]=4 36 B12R2.294 Brc1ccc(nc1)SC2CC2 62a_100000686858_100000211595 [1,0,0,0,0,0|3,0,0]=4 37 B12R2.294 Cc1ccc(nc1)OC2CC2 34a_100000759353_100000211595 [1,0,0,0,0,0|3,0,0]=4 38 B12R2.294 Cc1ccc(nc1)SC2CC2 62a_100011192072_100000211595 [1,0,0,0,0,0|3,0,0]=4 39 B12R2.294 Cc1ccc(nn1)NC2CC2 27a_100000212008_100000744512 [1,0,0,0,0,0|2,0,1]=4 40 B12R2.294 Cc1ccc(nn1)SC2CC2 62a_100000744512_100000211595 [1,0,0,0,0,0|2,0,1]=4 41 B12R2.294 Clc1ccc(nc1)OC2CC2 34a_100011215309_100000211595 [1,0,0,0,0,0|3,0,0]=4 42 B12R2.294 Clc1ccc(nc1)SC2CC2 62a_100011356976_100000211595 [1,0,0,0,0,0|3,0,0]=4 43 B12R2.294 Clc1ccc(nn1)SC2CC2 62a_100000068654_100000211595 [1,0,0,0,0,0|2,0,1]=4 44 B12R2.294 Fc1ccc(nc1)OC2CC2 34a_100000742473_100000211595 [1,0,0,0,0,0|3,0,0]=4 45 B12R2.294 Fc1ccc(nc1)SC2CC2 62a_100000744514_100000211595 [1,0,0,0,0,0|3,0,0]=4 46 B12R2.294 Nc1ccc(nc1)OC2CC2 34a_100000729260_100000211595 [1,0,0,0,0,0|3,0,0]=4 47 B12R2.294 Nc1ccc(nc1)SC2CC2 62a_100000737798_100000211595 [1,0,0,0,0,0|3,0,0]=4 48 B12R2.294 Nc1ccc(nn1)SC2CC2 62a_100010219413_100000211595 [1,0,0,0,0,0|2,0,1]=4 49 B12R2.294 O=c1ccc(c[nH]1)OC2CC2 34a_100000075641_100000211595 [1,0,0,0,0,0|2,0,0]=3 50 B12R2.294 O=c1ccc(c[nH]1)SC2CC2 62a_100000212171_100000211595 [1,0,0,0,0,0|2,0,0]=3 51 B12R2.294 O=c1ccc(n[nH]1)SC2CC2 62a_100009820020_100000211595 [1,0,0,0,0,0|1,0,0]=2 52 B12R2.294 O=c1ncc(c[nH]1)SC2CC2 62a_102495366499_100000211595 [1,0,0,0,0,0|3,0,0]=4 53 B12R2.294 Oc1ccc(nc1)NC2CC2 271570a_203496583355_100011242975 [1,0,0,0,0,0|2,0,1]=4 54 B12R2.294 Oc1ccc(nc1)SC2CC2 62a_100000685995_100000211595 [1,0,0,0,0,0|2,0,1]=4 55 B12R2.294 Oc1ccc(nn1)NC2CC2 271570a_203496583355_200000215242 [1,0,0,0,0,0|1,0,2]=4 56 B12R2.1286 Cc1ccnc(c1)SC2CC2 62a_100000750283_100000211595 [1,0,0,0,0,0|3,0,0]=4 57 B12R2.1286 Cc1cnnc(c1)NC2CC2 27a_100000212008_100000070100 [1,0,0,0,0,0|2,0,1]=4 58 B12R2.1286 Cc1cnnc(c1)OC2CC2 34a_100000766097_100000211595 [1,0,0,0,0,0|2,0,1]=4 59 B12R2.1286 Cc1cnnc(c1)SC2CC2 62a_100000070100_100000211595 [1,0,0,0,0,0|2,0,1]=4 60 B12R2.1286 Clc1ccnc(c1)SC2CC2 62a_100010167805_100000211595 [1,0,0,0,0,0|3,0,0]=4 61 B12R2.1286 Fc1ccnc(c1)NC2CC2 27a_100000212008_100000764206 [1,0,0,0,0,0|3,0,0]=4 62 B12R2.1286 Fc1ccnc(c1)SC2CC2 62a_100000764206_100000211595 [1,0,0,0,0,0|3,0,0]=4 63 B12R2.1286 Nc1ccnc(c1)SC2CC2 62a_100009814236_100000211595 [1,0,0,0,0,0|3,0,0]=4 64 B12R2.1286 Nc1cnnc(c1)SC2CC2 62a_100011996757_100000211595 [1,0,0,0,0,0|2,0,1]=4 65 B12R2.1286 Oc1cc(ncn1)NC2CC2 271570a_203496583355_100011210109 [1,0,0,0,0,0|3,0,0]=4 66 B12R2.1286 Oc1cc(ncn1)NC2CC2 27a_100000212008_100000765262 [1,0,0,0,0,0|3,0,0]=4 67 B12R2.1286 Oc1cccc(c1)NC2CC2 34a_100000210217_100000211595 [1,0,0,0,0,0|3,0,0]=4 68 B12R2.1286 Oc1cccc(c1)OC2CC2 271570a_203496583355_100012344912 [1,0,0,0,0,0|3,0,0]=4 69 B12R2.1286 Oc1cccc(c1)SC2CC2 271570a_203496583355_200010157562 [1,0,0,0,0,0|3,0,0]=4 70 B12R2.1286 Oc1ccnc(c1)OC2CC2 271570a_203496583355_100010191144 [1,0,0,0,0,0|2,0,0]=3 71 B12R2.1286 Oc1ccnc(n1)NC2CC2 27a_100000212008_100011649813 [1,0,0,0,0,0|3,0,0]=4 72 B12R2.1286 Oc1cncc(c1)SC2CC2 62a_100000754920_100000211595 [1,0,0,0,0,0|2,0,1]=4 73 B14R2.954 C=C(c1c[nH]c(=O)c(c1)Br)C2CC2 271570a_100010895485_100010125443 [0,1,0,0,0,0|2,0,1]=4 74 B14R2.954 C=C(c1c[nH]c(=O)c(c1)F)C2CC2 271570a_100010895485_100000723523 [0,1,0,0,0,0|2,0,1]=4 75 B14R2.954 C=C(c1c[nH]c(=O)c(c1)O)C2CC2 271570a_100010895485_100009814561 [0,1,0,0,0,0|1,0,1]=3 76 B14R2.954 C=C(c1cc(c(=O)[nH]n1)C)C2CC2 271570a_100010895485_100012187101 [0,1,0,0,0,0|1,0,1]=3 77 B14R2.954 C=C(c1cc(c(=O)[nH]n1)N)C2CC2 271570a_100010895485_100000102183 [0,1,0,0,0,0|1,0,1]=3 78 B14R2.954 C=C(c1cc(c(cn1)C)O)C2CC2 271570a_100010895485_100000704368 [0,1,0,0,0,0|2,0,1]=4 79 B14R2.954 C=C(c1cc(c(cn1)F)O)C2CC2 271570a_100010895485_100009854642 [0,1,0,0,0,0|2,0,1]=4 80 B14R2.3063 Cc1cc(ncc1C=O)SC2CC2 62a_100000085382_100000211595 [0,1,0,0,0,0|3,0,0]=4 81 B14R2.3063 Nc1cc(ncc1C=O)SC2CC2 62a_100000050503_100000211595 [0,1,0,0,0,0|3,0,0]=4 82 B14R2.3063 O=Cc1ccc(cc1O)SC2CC2 62a_100011277552_100000211595 [0,1,0,0,0,0|3,0,0]=4 83 B14R2.3168 COc1cc(ncc1C)SC2CC2 62a_100010067687_100000211595 [0,1,0,0,0,0|3,0,0]=4 84 B14R2.3168 COc1cc(ncc1F)SC2CC2 62a_200010136270_100000211595 [0,1,0,0,0,0|3,0,0]=4 85 B14R2.3168 COc1cc(ncc1N)SC2CC2 62a_100009887741_100000211595 [0,1,0,0,0,0|3,0,0]=4 86 B14R2.3168 COc1cc(nnc1N)SC2CC2 62a_100000688033_100000211595 [0,1,0,0,0,0|2,0,1]=4 87 B14R2.3168 OCc1cc(ncc1F)SC2CC2 62a_100000081974_100000211595 [0,1,0,0,0,0|3,0,0]=4 88 B14R2.9173 Cc1[nH]c(=O)c(cc1SC2CC2)N 62a_100010126670_100000211595 [0,1,0,0,0,0|3,0,0]=4 89 B14R2.21326 Cc1c(c[nH]c(=O)c1N)SC2CC2 62a_100010163742_100000211595 [0,1,0,0,0,0|3,0,0]=4 90 B14R2.23185 Cc1cc(cn(c1=O)C)SC2CC2 62a_100011830242_100000211595 [0,1,0,0,0,0|3,0,0]=4 91 B14R2.23185 Cc1cc(nn(c1=O)C)SC2CC2 62a_100010988966_100000211595 [0,1,0,0,0,0|2,0,0]=3 92 B14R2.23185 Cn1cc(cc(c1=O)F)SC2CC2 62a_100010749421_100000211595 [0,1,0,0,0,0|3,0,0]=4 93 B14R2.23185 Cn1cc(cc(c1=O)N)SC2CC2 62a_106446545582_100000211595 [0,1,0,0,0,0|3,0,0]=4 94 B12R1.19 CC(=Cc1c[nH]c(=O)c(c1)O)C 271570a_100102525489_100009814561 [0,0,1,0,0,0|1,0,2]=4 95 B12R1.19 CC(=Cc1cc(c(=O)[nH]n1)C)C 271570a_100102525489_100012187101 [0,0,1,0,0,0|1,0,2]=4 96 B12R1.19 CC(=Cc1cc(c(=O)[nH]n1)N)C 271570a_100102525489_100000102183 [0,0,1,0,0,0|1,0,2]=4 97 B12R1.19 CC(C)Sc1c[nH]c(=O)c(c1)Br 62a_100000210206_100010125443 [0,0,1,0,0,0|3,0,0]=4 98 B12R1.19 CC(C)Sc1c[nH]c(=O)c(c1)Br 62a_100010125443_100000210206 [0,0,1,0,0,0|3,0,0]=4 99 B12R1.19 CC(C)Sc1c[nH]c(=O)c(c1)F 62a_100000210206_100000723523 [0,0,1,0,0,0|3,0,0]=4 100 B12R1.19 CC(C)Sc1c[nH]c(=O)c(c1)F 62a_100000723523_100000210206 [0,0,1,0,0,0|3,0,0]=4 101 B12R1.19 CC(C)Sc1c[nH]c(=O)c(c1)O 62a_100000210206_100009814561 [0,0,1,0,0,0|2,0,0]=3 102 B12R1.19 CC(C)Sc1cc(c(=O)[nH]n1)N 62a_100000210206_100000102183 [0,0,1,0,0,0|2,0,0]=3 103 B12R1.19 CC(C)Sc1cc(c(cn1)F)O 62a_100000210206_100009854642 [0,0,1,0,0,0|3,0,0]=4 104 B12R1.19 CC(C)Sc1cc(c(cn1)F)O 62a_100009854642_100000210206 [0,0,1,0,0,0|3,0,0]=4 105 B12R1.19 CN(C)Cc1c[nH]c(=O)c(c1)Cl 270004a_100102631434_100000051075 [0,0,1,0,0,0|3,0,0]=4 106 B12R1.19 Cc1cc(n[nH]c1=O)SC(C)C 62a_100000210206_100012187101 [0,0,1,0,0,0|2,0,0]=3 107 B12R1.19 Cc1cnc(cc1O)SC(C)C 62a_100000210206_100000704368 [0,0,1,0,0,0|3,0,0]=4 108 B12R1.19 Cc1cnc(cc1O)SC(C)C 62a_100000704368_100000210206 [0,0,1,0,0,0|3,0,0]=4 109 B12R1.385 CCCCc1c[nH]c(=O)c(c1)Br 271570a_100020621405_100010125443 [0,0,1,0,0,0|2,0,0]=3 110 B12R1.385 CCCCc1c[nH]c(=O)c(c1)F 271570a_100020621405_100000723523 [0,0,1,0,0,0|2,0,0]=3 111 B12R1.385 CCCCc1c[nH]c(=O)c(c1)O 271570a_100020621405_100009814561 [0,0,1,0,0,0|1,0,0]=2 112 B12R1.385 CCCCc1c[nH]c(=O)c(n1)C 271570a_100020621405_100010363809 [0,0,1,0,0,0|3,0,0]=4 113 B12R1.385 CCCCc1cc(c(=O)[nH]n1)C 271570a_100020621405_100012187101 [0,0,1,0,0,0|1,0,0]=2 114 B12R1.385 CCCCc1cc(c(=O)[nH]n1)N 271570a_100020621405_100000102183 [0,0,1,0,0,0|1,0,0]=2 115 B12R1.385 CCCCc1cc(c(cn1)Br)C 271570a_100020621405_100012356354 [0,0,1,0,0,0|3,0,0]=4 116 B12R1.385 CCCCc1cc(c(cn1)C)C 271570a_100020621405_100009850809 [0,0,1,0,0,0|3,0,0]=4 117 B12R1.385 CCCCc1cc(c(cn1)C)F 271570a_100020621405_100009841206 [0,0,1,0,0,0|3,0,0]=4 118 B12R1.385 CCCCc1cc(c(cn1)C)N 271570a_100020621405_100000690170 [0,0,1,0,0,0|3,0,0]=4 119 B12R1.385 CCCCc1cc(c(cn1)C)O 271570a_100020621405_100000704368 [0,0,1,0,0,0|2,0,0]=3 120 B12R1.385 CCCCc1cc(c(cn1)F)C 271570a_100020621405_100009818257 [0,0,1,0,0,0|3,0,0]=4 121 B12R1.385 CCCCc1cc(c(cn1)F)N 271570a_100020621405_100000126464 [0,0,1,0,0,0|3,0,0]=4 122 B12R1.385 CCCCc1cc(c(cn1)F)O 271570a_100020621405_100009854642 [0,0,1,0,0,0|2,0,0]=3 123 B12R1.385 CCCCc1cc(c(cn1)N)C 271570a_100020621405_100000765520 [0,0,1,0,0,0|3,0,0]=4 124 B12R1.385 CCCCc1cc(c(cn1)N)N 271570a_100020621405_100000067514 [0,0,1,0,0,0|3,0,0]=4 125 B12R1.385 CCCCc1cc(c(cn1)O)C 271570a_100020621405_100000692680 [0,0,1,0,0,0|2,0,1]=4 126 B12R1.385 CCCCc1cc(c(cn1)O)N 271570a_100020621405_100009819941 [0,0,1,0,0,0|2,0,1]=4 127 B12R1.385 CCCCc1cc(c(nn1)N)C 271570a_100020621405_100153394926 [0,0,1,0,0,0|2,0,1]=4 128 B12R1.385 CCCCc1ccc(c(c1)O)Br 271570a_100020621405_100012356990 [0,0,1,0,0,0|3,0,0]=4 129 B12R1.385 CCCCc1ccc(c(c1)O)C 271570a_100020621405_100000766334 [0,0,1,0,0,0|3,0,0]=4 130 B12R1.385 CCCCc1ccc(c(c1)O)Cl 271570a_100020621405_100011356854 [0,0,1,0,0,0|3,0,0]=4 131 B12R1.385 CCCCc1ccc(c(c1)O)F 271570a_100020621405_100000686035 [0,0,1,0,0,0|3,0,0]=4 132 B12R1.385 CCCCc1ccc(c(c1)O)N 271570a_100020621405_100000739049 [0,0,1,0,0,0|3,0,0]=4 133 B12R1.385 CCCCc1ccc(c(c1)O)O 271570a_100020621405_100009813601 [0,0,1,0,0,0|2,0,1]=4 134 B12R1.385 CCCCc1cn(c(=O)cn1)C 271570a_100020621405_100009843036 [0,0,1,0,0,0|3,0,0]=4 135 B12R1.385 CCCCc1cnc(c(c1)O)C 271570a_100020621405_100009864810 [0,0,1,0,0,0|2,0,1]=4 136 B12R1.385 CCCCc1cnc(c(c1)O)F 271570a_100020621405_100009819871 [0,0,1,0,0,0|2,0,1]=4 137 B12R1.385 CCCCc1cnc(c(c1)O)N 271570a_100020621405_100009819042 [0,0,1,0,0,0|2,0,1]=4 138 B12R1.385 CCCCc1ncc(c(n1)O)F 271570a_100020621405_100011995740 [0,0,1,0,0,0|3,0,0]=4 139 B12R1.385 CCCSc1c[nH]c(=O)c(c1)Br 62a_100000210303_100010125443 [0,0,1,0,0,0|3,0,0]=4 140 B12R1.385 CCCSc1c[nH]c(=O)c(c1)Br 62a_100010125443_100000210303 [0,0,1,0,0,0|3,0,0]=4 141 B12R1.385 CCCSc1c[nH]c(=O)c(c1)F 62a_100000210303_100000723523 [0,0,1,0,0,0|3,0,0]=4 142 B12R1.385 CCCSc1c[nH]c(=O)c(c1)F 62a_100000723523_100000210303 [0,0,1,0,0,0|3,0,0]=4 143 B12R1.385 CCCSc1c[nH]c(=O)c(c1)O 62a_100000210303_100009814561 [0,0,1,0,0,0|2,0,0]=3 144 B12R1.385 CCCSc1cc(c(=O)[nH]n1)C 62a_100000210303_100012187101 [0,0,1,0,0,0|2,0,0]=3 145 B12R1.385 CCCSc1cc(c(=O)[nH]n1)N 62a_100000210303_100000102183 [0,0,1,0,0,0|2,0,0]=3 146 B12R1.385 CCCSc1cc(c(cn1)C)O 62a_100000210303_100000704368 [0,0,1,0,0,0|3,0,0]=4 147 B12R1.385 CCCSc1cc(c(cn1)C)O 62a_100000704368_100000210303 [0,0,1,0,0,0|3,0,0]=4 148 B12R1.385 CCCSc1cc(c(cn1)F)O 62a_100000210303_100009854642 [0,0,1,0,0,0|3,0,0]=4 149 B12R1.385 CCCSc1cc(c(cn1)F)O 62a_100009854642_100000210303 [0,0,1,0,0,0|3,0,0]=4 150 B12R1.385 CCNCc1c[nH]c(=O)c(c1)Cl 207a_100015525214_100000051075 [0,0,1,0,0,0|3,0,0]=4 151 B12R1.385 CCNCc1c[nH]c(=O)c(c1)Cl 270004a_100015525214_100000051075 [0,0,1,0,0,0|3,0,0]=4 152 B12R1.385 COCSc1c[nH]c(=O)c(c1)O 62a_100000766300_100009814561 [0,0,1,0,0,0|3,0,0]=4 153 B12R1.385 COCSc1cc(c(=O)[nH]n1)C 62a_100000766300_100012187101 [0,0,1,0,0,0|3,0,0]=4 154 B12R1.385 COCSc1cc(c(=O)[nH]n1)N 62a_100000766300_100000102183 [0,0,1,0,0,0|3,0,0]=4 155 B12R1.385 CSCSc1c[nH]c(=O)c(c1)O 62a_100011218213_100009814561 [0,0,1,0,0,0|3,0,0]=4 156 B12R1.385 CSCSc1cc(c(=O)[nH]n1)C 62a_100011218213_100012187101 [0,0,1,0,0,0|3,0,0]=4 157 B12R1.385 CSCSc1cc(c(=O)[nH]n1)N 62a_100011218213_100000102183 [0,0,1,0,0,0|3,0,0]=4 158 B12R1.385 Cc1cc(n[nH]c1=O)SCCF 62a_100011217306_100012187101 [0,0,1,0,0,0|3,0,0]=4 159 B12R1.385 Cc1cc(n[nH]c1=O)SCCO 62a_100000211926_100012187101 [0,0,1,0,0,0|3,0,0]=4 160 B12R1.385 Nc1cc(n[nH]c1=O)SCCF 62a_100011217306_100000102183 [0,0,1,0,0,0|3,0,0]=4 161 B12R1.385 Nc1cc(n[nH]c1=O)SCCO 62a_100000211926_100000102183 [0,0,1,0,0,0|3,0,0]=4 162 B12R1.385 O=c1[nH]cc(cc1O)SCCF 62a_100011217306_100009814561 [0,0,1,0,0,0|3,0,0]=4 163 B12R1.385 O=c1[nH]cc(cc1O)SCCO 62a_100000211926_100009814561 [0,0,1,0,0,0|3,0,0]=4 164 B12R1.910 C=CC(=O)NCC(=O)CC1CC1 1458a_200011222540_100000742324 [0,0,1,0,0,0|3,0,0]=4 165 B12R1.910 CCC(=O)NN=C(C)CC1CC1 4a_100000183195_200000686933 [0,0,1,0,0,0|1,0,2]=4 166 B12R2.291 Cc1cc(n[nH]c1=O)C2CC2 271570a_100011220607_100012187101 [0,0,0,0,1,0|1,0,0]=2 167 B12R2.291 Cc1cc(ncc1Br)C2CC2 271570a_100011220607_100012356354 [0,0,0,0,1,0|3,0,0]=4 168 B12R2.291 Cc1cc(ncc1F)C2CC2 271570a_100011220607_100009818257 [0,0,0,0,1,0|3,0,0]=4 169 B12R2.291 Cc1cc(ncc1N)C2CC2 271570a_100011220607_100000765520 [0,0,0,0,1,0|3,0,0]=4 170 B12R2.291 Cc1cc(ncc1O)C2CC2 271570a_100011220607_100000692680 [0,0,0,0,1,0|2,0,1]=4 171 B12R2.291 Cc1cc(nnc1N)C2CC2 271570a_100011220607_100153394926 [0,0,0,0,1,0|2,0,1]=4 172 B12R2.291 Cc1ccc(cc1O)C2CC2 271570a_100011220607_100000766334 [0,0,0,0,1,0|3,0,0]=4 173 B12R2.291 Cc1cnc(cc1C)C2CC2 271570a_100011220607_100009850809 [0,0,0,0,1,0|3,0,0]=4 174 B12R2.291 Cc1cnc(cc1F)C2CC2 271570a_100011220607_100009841206 [0,0,0,0,1,0|3,0,0]=4 175 B12R2.291 Cc1cnc(cc1N)C2CC2 271570a_100011220607_100000690170 [0,0,0,0,1,0|3,0,0]=4 176 B12R2.291 Cc1cnc(cc1O)C2CC2 271570a_100011220607_100000704368 [0,0,0,0,1,0|2,0,0]=3 177 B12R2.291 Cc1nc(c[nH]c1=O)C2CC2 271570a_100011220607_100010363809 [0,0,0,0,1,0|3,0,0]=4 178 B12R2.291 Cc1ncc(cc1O)C2CC2 271570a_100011220607_100009864810 [0,0,0,0,1,0|2,0,1]=4 179 B12R2.291 Cn1cc(ncc1=O)C2CC2 271570a_100011220607_100009843036 [0,0,0,0,1,0|3,0,0]=4 180 B12R2.291 Nc1cc(n[nH]c1=O)C2CC2 271570a_100011220607_100000102183 [0,0,0,0,1,0|1,0,0]=2 181 B12R2.291 Nc1cc(ncc1F)C2CC2 271570a_100011220607_100000126464 [0,0,0,0,1,0|3,0,0]=4 182 B12R2.291 Nc1cc(ncc1O)C2CC2 271570a_100011220607_100009819941 [0,0,0,0,1,0|2,0,1]=4 183 B12R2.291 Nc1ccc(cc1O)C2CC2 271570a_100011220607_100000739049 [0,0,0,0,1,0|3,0,0]=4 184 B12R2.291 Nc1cnc(cc1N)C2CC2 271570a_100011220607_100000067514 [0,0,0,0,1,0|3,0,0]=4 185 B12R2.291 Nc1ncc(cc1O)C2CC2 271570a_100011220607_100009819042 [0,0,0,0,1,0|2,0,1]=4 186 B12R2.291 O=c1[nH]cc(cc1Br)C2CC2 271570a_100011220607_100010125443 [0,0,0,0,1,0|2,0,0]=3 187 B12R2.291 O=c1[nH]cc(cc1F)C2CC2 271570a_100011220607_100000723523 [0,0,0,0,1,0|2,0,0]=3 188 B12R2.291 O=c1[nH]cc(cc1O)C2CC2 271570a_100011220607_100009814561 [0,0,0,0,1,0|1,0,0]=2 189 B12R2.291 Oc1cc(ccc1Br)C2CC2 271570a_100011220607_100012356990 [0,0,0,0,1,0|3,0,0]=4 190 B12R2.291 Oc1cc(ccc1Cl)C2CC2 271570a_100011220607_100011356854 [0,0,0,0,1,0|3,0,0]=4 191 B12R2.291 Oc1cc(ccc1F)C2CC2 271570a_100011220607_100000686035 [0,0,0,0,1,0|3,0,0]=4 192 B12R2.291 Oc1cc(ccc1F)C2CC2 271570a_203496583355_100010281199 [0,0,0,0,1,0|3,0,0]=4 193 B12R2.291 Oc1cc(cnc1F)C2CC2 271570a_100011220607_100009819871 [0,0,0,0,1,0|2,0,1]=4 194 B12R2.291 Oc1cc(ncc1F)C2CC2 271570a_100011220607_100009854642 [0,0,0,0,1,0|2,0,0]=3 195 B12R2.291 Oc1ccc(cc1O)C2CC2 271570a_100011220607_100009813601 [0,0,0,0,1,0|2,0,1]=4 196 B12R2.291 Oc1ccc(cc1O)C2CC2 271570a_203496583355_100135415898 [0,0,0,0,1,0|2,0,1]=4 197 B12R2.291 Oc1nc(ncc1F)C2CC2 271570a_100011220607_100011995740 [0,0,0,0,1,0|3,0,0]=4 198 B12R2.3922 Cc1[nH]nc(c1C)SC2CC2 62a_100015309786_100000211595 [0,0,0,0,1,0|3,0,0]=4 199 B14R2.10591 Cc1cc(n[nH]c1=O)C#CC2CC2 271570a_200009880635_100012187101 [0,0,0,0,0,1|1,0,1]=3 200 B14R2.10591 Cc1cc(n[nH]c1=O)C=CC2CC2 271570a_100102526188_100012187101 [0,0,0,0,0,1|1,0,1]=3 201 B14R2.10591 Cc1cc(n[nH]c1=O)SCC2CC2 62a_100000756562_100012187101 [0,0,0,0,0,1|1,0,0]=2 202 B14R2.10591 Cc1cc(n[nH]c1=O)SCC2CO2 62a_102125554688_100012187101 [0,0,0,0,0,1|2,0,0]=3 203 B14R2.10591 Cc1cc(n[nH]c1=O)SCC2CS2 62a_100000031435_100012187101 [0,0,0,0,0,1|2,0,0]=3 204 B14R2.10591 Cc1cc(n[nH]c1=O)SC[C@@H]2CO2 62a_100000745022_100012187101 [0,0,0,0,0,1|2,0,0]=3 205 B14R2.10591 Cc1cc(ncc1Br)COC2CC2 34a_200010713146_100000211595 [0,0,0,0,0,1|3,0,0]=4 206 B14R2.10591 Cc1cc(ncc1Br)OCC2CC2 34a_100000766222_100000742324 [0,0,0,0,0,1|3,0,0]=4 207 B14R2.10591 Cc1cc(ncc1Br)SCC2CC2 62a_100000756562_100012356354 [0,0,0,0,0,1|3,0,0]=4 208 B14R2.10591 Cc1cc(ncc1Br)SCC2CC2 62a_100012356354_100000742324 [0,0,0,0,0,1|3,0,0]=4 209 B14R2.10591 Cc1cc(ncc1Cl)OCC2CC2 34a_200000085746_100000742324 [0,0,0,0,0,1|3,0,0]=4 210 B14R2.10591 Cc1cc(ncc1F)SCC2CC2 62a_100000756562_100009818257 [0,0,0,0,0,1|3,0,0]=4 211 B14R2.10591 Cc1cc(ncc1F)SCC2CC2 62a_100009818257_100000742324 [0,0,0,0,0,1|3,0,0]=4 212 B14R2.10591 Cc1cc(ncc1N)SCC2CC2 62a_100000067204_100000742324 [0,0,0,0,0,1|3,0,0]=4 213 B14R2.10591 Cc1cc(ncc1N)SCC2CC2 62a_100000756562_100000067204 [0,0,0,0,0,1|3,0,0]=4 214 B14R2.10591 Cc1cc(ncc1O)SCC2CC2 62a_100000756562_100000692680 [0,0,0,0,0,1|2,0,1]=4 215 B14R2.10591 Cc1cc(nnc1N)SCC2CC2 62a_100000756562_100153394926 [0,0,0,0,0,1|2,0,1]=4 216 B14R2.10591 Cc1cc(nnc1N)SCC2CC2 62a_100153394926_100000742324 [0,0,0,0,0,1|2,0,1]=4 217 B14R2.10591 Cc1ccc(cc1O)NCC2CC2 34a_100000759471_100000742324 [0,0,0,0,0,1|3,0,0]=4 218 B14R2.10591 Cc1ccc(cc1O)NCC2CC2 7a_100000759471_100000742324 [0,0,0,0,0,1|3,0,0]=4 219 B14R2.10591 Cc1ccc(cc1O)SCC2CC2 62a_100000685420_100000742324 [0,0,0,0,0,1|3,0,0]=4 220 B14R2.10591 Cc1ccc(cc1O)SCC2CC2 62a_100000756562_100000685420 [0,0,0,0,0,1|3,0,0]=4 221 B14R2.10591 Cc1cnc(cc1Br)COC2CC2 34a_100010113723_100000211595 [0,0,0,0,0,1|3,0,0]=4 222 B14R2.10591 Cc1cnc(cc1Br)OCC2CC2 34a_100009831917_100000742324 [0,0,0,0,0,1|3,0,0]=4 223 B14R2.10591 Cc1cnc(cc1C)SCC2CC2 62a_100000756562_100009850809 [0,0,0,0,0,1|3,0,0]=4 224 B14R2.10591 Cc1cnc(cc1C)SCC2CC2 62a_100009850809_100000742324 [0,0,0,0,0,1|3,0,0]=4 225 B14R2.10591 Cc1cnc(cc1Cl)COC2CC2 34a_200000144627_100000211595 [0,0,0,0,0,1|3,0,0]=4 226 B14R2.10591 Cc1cnc(cc1F)NCC2CC2 27a_100000735609_100009841206 [0,0,0,0,0,1|3,0,0]=4 227 B14R2.10591 Cc1cnc(cc1F)SCC2CC2 62a_100000756562_100009841206 [0,0,0,0,0,1|3,0,0]=4 228 B14R2.10591 Cc1cnc(cc1F)SCC2CC2 62a_100009841206_100000742324 [0,0,0,0,0,1|3,0,0]=4 229 B14R2.10591 Cc1cnc(cc1N)SCC2CC2 62a_100000126663_100000742324 [0,0,0,0,0,1|3,0,0]=4 230 B14R2.10591 Cc1cnc(cc1N)SCC2CC2 62a_100000756562_100000126663 [0,0,0,0,0,1|3,0,0]=4 231 B14R2.10591 Cc1cnc(cc1O)C#CC2CC2 271570a_200009880635_100000704368 [0,0,0,0,0,1|2,0,1]=4 232 B14R2.10591 Cc1cnc(cc1O)C=CC2CC2 271570a_100102526188_100000704368 [0,0,0,0,0,1|2,0,1]=4 233 B14R2.10591 Cc1cnc(cc1O)SCC2CC2 62a_100000704368_100000742324 [0,0,0,0,0,1|2,0,0]=3 234 B14R2.10591 Cc1cnc(cc1O)SCC2CC2 62a_100000756562_100000704368 [0,0,0,0,0,1|2,0,0]=3 235 B14R2.10591 Cc1cnc(cc1O)SCC2CO2 62a_100000704368_102125554688 [0,0,0,0,0,1|3,0,0]=4 236 B14R2.10591 Cc1cnc(cc1O)SCC2CO2 62a_102125554688_100000704368 [0,0,0,0,0,1|3,0,0]=4 237 B14R2.10591 Cc1cnc(cc1O)SCC2CS2 62a_100000031435_100000704368 [0,0,0,0,0,1|3,0,0]=4 238 B14R2.10591 Cc1cnc(cc1O)SCC2CS2 62a_100000704368_100000031435 [0,0,0,0,0,1|3,0,0]=4 239 B14R2.10591 Cc1cnc(cc1O)SC[C@@H]2CO2 62a_100000704368_100000745022 [0,0,0,0,0,1|3,0,0]=4 240 B14R2.10591 Cc1cnc(cc1O)SC[C@@H]2CO2 62a_100000745022_100000704368 [0,0,0,0,0,1|3,0,0]=4 241 B14R2.10591 Cc1nc(c[nH]c1=O)SCC2CC2 62a_100000756562_100010363809 [0,0,0,0,0,1|3,0,0]=4 242 B14R2.10591 Cc1nc(c[nH]c1=O)SCC2CC2 62a_100010363809_100000742324 [0,0,0,0,0,1|3,0,0]=4 243 B14R2.10591 Cc1ncc(cc1O)SCC2CC2 62a_100000756562_100009864810 [0,0,0,0,0,1|2,0,1]=4 244 B14R2.10591 Cc1ncc(cc1O)SCC2CC2 62a_100009864810_100000742324 [0,0,0,0,0,1|2,0,1]=4 245 B14R2.10591 Clc1cc(ncc1Br)OCC2CC2 34a_100010369989_100000742324 [0,0,0,0,0,1|3,0,0]=4 246 B14R2.10591 Clc1cnc(cc1Cl)OCC2CC2 34a_200000099200_100000742324 [0,0,0,0,0,1|3,0,0]=4 247 B14R2.10591 Cn1cc(ncc1=O)SCC2CC2 62a_100000756562_100009843036 [0,0,0,0,0,1|3,0,0]=4 248 B14R2.10591 Cn1cc(ncc1=O)SCC2CC2 62a_100009843036_100000742324 [0,0,0,0,0,1|3,0,0]=4 249 B14R2.10591 Nc1cc(n[nH]c1=O)C#CC2CC2 271570a_200009880635_100000102183 [0,0,0,0,0,1|1,0,1]=3 250 B14R2.10591 Nc1cc(n[nH]c1=O)C=CC2CC2 271570a_100102526188_100000102183 [0,0,0,0,0,1|1,0,1]=3 251 B14R2.10591 Nc1cc(n[nH]c1=O)SCC2CC2 62a_100000756562_100000102183 [0,0,0,0,0,1|1,0,0]=2 252 B14R2.10591 Nc1cc(n[nH]c1=O)SCC2CO2 62a_102125554688_100000102183 [0,0,0,0,0,1|2,0,0]=3 253 B14R2.10591 Nc1cc(n[nH]c1=O)SCC2CS2 62a_100000031435_100000102183 [0,0,0,0,0,1|2,0,0]=3 254 B14R2.10591 Nc1cc(n[nH]c1=O)SC[C@@H]2CO2 62a_100000745022_100000102183 [0,0,0,0,0,1|2,0,0]=3 255 B14R2.10591 Nc1cc(ncc1F)SCC2CC2 62a_100000126464_100000742324 [0,0,0,0,0,1|3,0,0]=4 256 B14R2.10591 Nc1cc(ncc1F)SCC2CC2 62a_100000756562_100000126464 [0,0,0,0,0,1|3,0,0]=4 257 B14R2.10591 Nc1cc(ncc1O)SCC2CC2 62a_100000756562_100009819941 [0,0,0,0,0,1|2,0,1]=4 258 B14R2.10591 Nc1cc(ncc1O)SCC2CC2 62a_100009819941_100000742324 [0,0,0,0,0,1|2,0,1]=4 259 B14R2.10591 Nc1ccc(cc1O)SCC2CC2 62a_100000739049_100000742324 [0,0,0,0,0,1|3,0,0]=4 260 B14R2.10591 Nc1ccc(cc1O)SCC2CC2 62a_100000756562_100000739049 [0,0,0,0,0,1|3,0,0]=4 261 B14R2.10591 Nc1cnc(cc1N)SCC2CC2 62a_100000067514_100000742324 [0,0,0,0,0,1|3,0,0]=4 262 B14R2.10591 Nc1cnc(cc1N)SCC2CC2 62a_100000756562_100000067514 [0,0,0,0,0,1|3,0,0]=4 263 B14R2.10591 Nc1ncc(cc1O)SCC2CC2 62a_100000756562_100009819042 [0,0,0,0,0,1|2,0,1]=4 264 B14R2.10591 Nc1ncc(cc1O)SCC2CC2 62a_100009819042_100000742324 [0,0,0,0,0,1|2,0,1]=4 265 B14R2.10591 O=c1[nH]cc(cc1Br)C#CC2CC2 271570a_200009880635_100010125443 [0,0,0,0,0,1|2,0,1]=4 266 B14R2.10591 O=c1[nH]cc(cc1Br)C=CC2CC2 271570a_100102526188_100010125443 [0,0,0,0,0,1|2,0,1]=4 267 B14R2.10591 O=c1[nH]cc(cc1Br)SCC2CC2 62a_100000756562_100010125443 [0,0,0,0,0,1|2,0,0]=3 268 B14R2.10591 O=c1[nH]cc(cc1Br)SCC2CC2 62a_100010125443_100000742324 [0,0,0,0,0,1|2,0,0]=3 269 B14R2.10591 O=c1[nH]cc(cc1Br)SCC2CO2 62a_100010125443_102125554688 [0,0,0,0,0,1|3,0,0]=4 270 B14R2.10591 O=c1[nH]cc(cc1Br)SCC2CO2 62a_102125554688_100010125443 [0,0,0,0,0,1|3,0,0]=4 271 B14R2.10591 O=c1[nH]cc(cc1Br)SCC2CS2 62a_100000031435_100010125443 [0,0,0,0,0,1|3,0,0]=4 272 B14R2.10591 O=c1[nH]cc(cc1Br)SCC2CS2 62a_100010125443_100000031435 [0,0,0,0,0,1|3,0,0]=4 273 B14R2.10591 O=c1[nH]cc(cc1Br)SC[C@@H]2CO2 62a_100000745022_100010125443 [0,0,0,0,0,1|3,0,0]=4 274 B14R2.10591 O=c1[nH]cc(cc1Br)SC[C@@H]2CO2 62a_100010125443_100000745022 [0,0,0,0,0,1|3,0,0]=4 275 B14R2.10591 O=c1[nH]cc(cc1F)C#CC2CC2 271570a_200009880635_100000723523 [0,0,0,0,0,1|2,0,1]=4 276 B14R2.10591 O=c1[nH]cc(cc1F)C=CC2CC2 271570a_100102526188_100000723523 [0,0,0,0,0,1|2,0,1]=4 277 B14R2.10591 O=c1[nH]cc(cc1F)SCC2CC2 62a_100000723523_100000742324 [0,0,0,0,0,1|2,0,0]=3 278 B14R2.10591 O=c1[nH]cc(cc1F)SCC2CC2 62a_100000756562_100000723523 [0,0,0,0,0,1|2,0,0]=3 279 B14R2.10591 O=c1[nH]cc(cc1F)SCC2CO2 62a_100000723523_102125554688 [0,0,0,0,0,1|3,0,0]=4 280 B14R2.10591 O=c1[nH]cc(cc1F)SCC2CO2 62a_102125554688_100000723523 [0,0,0,0,0,1|3,0,0]=4 281 B14R2.10591 O=c1[nH]cc(cc1F)SCC2CS2 62a_100000031435_100000723523 [0,0,0,0,0,1|3,0,0]=4 282 B14R2.10591 O=c1[nH]cc(cc1F)SCC2CS2 62a_100000723523_100000031435 [0,0,0,0,0,1|3,0,0]=4 283 B14R2.10591 O=c1[nH]cc(cc1F)SC[C@@H]2CO2 62a_100000723523_100000745022 [0,0,0,0,0,1|3,0,0]=4 284 B14R2.10591 O=c1[nH]cc(cc1F)SC[C@@H]2CO2 62a_100000745022_100000723523 [0,0,0,0,0,1|3,0,0]=4 285 B14R2.10591 O=c1[nH]cc(cc1O)C#CC2CC2 271570a_200009880635_100009814561 [0,0,0,0,0,1|1,0,1]=3 286 B14R2.10591 O=c1[nH]cc(cc1O)C=CC2CC2 271570a_100102526188_100009814561 [0,0,0,0,0,1|1,0,1]=3 287 B14R2.10591 O=c1[nH]cc(cc1O)SCC2CC2 62a_100000756562_100009814561 [0,0,0,0,0,1|1,0,0]=2 288 B14R2.10591 O=c1[nH]cc(cc1O)SCC2CO2 62a_102125554688_100009814561 [0,0,0,0,0,1|2,0,0]=3 289 B14R2.10591 O=c1[nH]cc(cc1O)SCC2CS2 62a_100000031435_100009814561 [0,0,0,0,0,1|2,0,0]=3 290 B14R2.10591 O=c1[nH]cc(cc1O)SC[C@@H]2CO2 62a_100000745022_100009814561 [0,0,0,0,0,1|2,0,0]=3 291 B14R2.10591 Oc1cc(ccc1Br)SCC2CC2 62a_100000756562_100012356990 [0,0,0,0,0,1|3,0,0]=4 292 B14R2.10591 Oc1cc(ccc1Br)SCC2CC2 62a_100012356990_100000742324 [0,0,0,0,0,1|3,0,0]=4 293 B14R2.10591 Oc1cc(ccc1Cl)CNC2CC2 34a_100020636435_100000211595 [0,0,0,0,0,1|3,0,0]=4 294 B14R2.10591 Oc1cc(ccc1Cl)NCC2CC2 34a_100011934209_100000742324 [0,0,0,0,0,1|3,0,0]=4 295 B14R2.10591 Oc1cc(ccc1Cl)SCC2CC2 62a_100000756562_100011356854 [0,0,0,0,0,1|3,0,0]=4 296 B14R2.10591 Oc1cc(ccc1Cl)SCC2CC2 62a_100011356854_100000742324 [0,0,0,0,0,1|3,0,0]=4 297 B14R2.10591 Oc1cc(ccc1F)CNC2CC2 34a_100160469508_100000211595 [0,0,0,0,0,1|3,0,0]=4 298 B14R2.10591 Oc1cc(ccc1F)NCC2CC2 34a_100012017398_100000742324 [0,0,0,0,0,1|3,0,0]=4 299 B14R2.10591 Oc1cc(ccc1F)NCC2CC2 7a_100012017398_100000742324 [0,0,0,0,0,1|3,0,0]=4 300 B14R2.10591 Oc1cc(ccc1F)SCC2CC2 62a_100000686035_100000742324 [0,0,0,0,0,1|3,0,0]=4 301 B14R2.10591 Oc1cc(ccc1F)SCC2CC2 62a_100000756562_100000686035 [0,0,0,0,0,1|3,0,0]=4 302 B14R2.10591 Oc1cc(cnc1F)SCC2CC2 62a_100000756562_100009819871 [0,0,0,0,0,1|2,0,1]=4 303 B14R2.10591 Oc1cc(cnc1F)SCC2CC2 62a_100009819871_100000742324 [0,0,0,0,0,1|2,0,1]=4 304 B14R2.10591 Oc1cc(ncc1F)C#CC2CC2 271570a_200009880635_100009854642 [0,0,0,0,0,1|2,0,1]=4 305 B14R2.10591 Oc1cc(ncc1F)C=CC2CC2 271570a_100102526188_100009854642 [0,0,0,0,0,1|2,0,1]=4 306 B14R2.10591 Oc1cc(ncc1F)SCC2CC2 62a_100000756562_100009854642 [0,0,0,0,0,1|2,0,0]=3 307 B14R2.10591 Oc1cc(ncc1F)SCC2CC2 62a_100009854642_100000742324 [0,0,0,0,0,1|2,0,0]=3 308 B14R2.10591 Oc1cc(ncc1F)SCC2CO2 62a_100009854642_102125554688 [0,0,0,0,0,1|3,0,0]=4 309 B14R2.10591 Oc1cc(ncc1F)SCC2CO2 62a_102125554688_100009854642 [0,0,0,0,0,1|3,0,0]=4 310 B14R2.10591 Oc1cc(ncc1F)SCC2CS2 62a_100000031435_100009854642 [0,0,0,0,0,1|3,0,0]=4 311 B14R2.10591 Oc1cc(ncc1F)SCC2CS2 62a_100009854642_100000031435 [0,0,0,0,0,1|3,0,0]=4 312 B14R2.10591 Oc1cc(ncc1F)SC[C@@H]2CO2 62a_100000745022_100009854642 [0,0,0,0,0,1|3,0,0]=4 313 B14R2.10591 Oc1cc(ncc1F)SC[C@@H]2CO2 62a_100009854642_100000745022 [0,0,0,0,0,1|3,0,0]=4 314 B14R2.10591 Oc1ccc(cc1O)CNC2CC2 34a_100000010075_100000211595 [0,0,0,0,0,1|2,0,1]=4 315 B14R2.10591 Oc1ccc(cc1O)NCC2CC2 34a_100102946323_100000742324 [0,0,0,0,0,1|2,0,1]=4 316 B14R2.10591 Oc1ccc(cc1O)SCC2CC2 62a_100000756562_100009813601 [0,0,0,0,0,1|2,0,1]=4 317 B14R2.10591 Oc1nc(ncc1F)NCC2CC2 27a_100000735609_100011995740 [0,0,0,0,0,1|3,0,0]=4 318 B14R2.10591 Oc1nc(ncc1F)SCC2CC2 62a_100000756562_100011995740 [0,0,0,0,0,1|3,0,0]=4 319 B14R2.10607 Cc1cnc(cc1O)SC2CCC2 62a_100000704368_100000749161 [0,0,0,0,0,1|3,0,0]=4 320 B14R2.10607 Cc1cnc(cc1O)SC2COC2 62a_100000704368_100009818527 [0,0,0,0,0,1|3,0,0]=4 321 B14R2.10607 O=c1[nH]cc(cc1Br)SC2CCC2 62a_100010125443_100000749161 [0,0,0,0,0,1|3,0,0]=4 322 B14R2.10607 O=c1[nH]cc(cc1Br)SC2COC2 62a_100010125443_100009818527 [0,0,0,0,0,1|3,0,0]=4 323 B14R2.10607 O=c1[nH]cc(cc1F)SC2CCC2 62a_100000723523_100000749161 [0,0,0,0,0,1|3,0,0]=4 324 B14R2.10607 O=c1[nH]cc(cc1F)SC2COC2 62a_100000723523_100009818527 [0,0,0,0,0,1|3,0,0]=4 325 B14R2.10607 Oc1cc(ncc1F)SC2CCC2 62a_100009854642_100000749161 [0,0,0,0,0,1|3,0,0]=4 326 B14R2.10607 Oc1cc(ncc1F)SC2COC2 62a_100009854642_100009818527 [0,0,0,0,0,1|3,0,0]=4 327 B11R1.20 CC(=Cc1ccc(=O)[nH]n1)C 271570a_100102525489_100009820020 [1,0,1,0,0,0|0,0,2]=4 328 B11R1.20 CC(C)Oc1ccc(=O)[nH]c1 34a_100000075641_100000210206 [1,0,1,0,0,0|2,0,0]=4 329 B11R1.20 CC(C)Sc1ccc(=O)[nH]c1 62a_100000210206_100000212171 [1,0,1,0,0,0|2,0,0]=4 330 B11R1.20 CC(C)Sc1ccc(=O)[nH]c1 62a_100000212171_100000210206 [1,0,1,0,0,0|2,0,0]=4 331 B11R1.20 CC(C)Sc1ccc(=O)[nH]n1 62a_100000210206_100009820020 [1,0,1,0,0,0|1,0,0]=3 332 B11R1.20 CC(C)Sc1ccc(=O)[nH]n1 62a_100009820020_100000210206 [1,0,1,0,0,0|1,0,0]=3 333 B11R1.20 CN(C)Cc1ccc(=O)[nH]n1 270004a_100102631434_100011361533 [1,0,1,0,0,0|1,0,0]=3 334 B11R1.157 CC(C)Cc1cccc(c1)O 271570a_203496583355_100010883412 [1,0,1,0,0,0|2,0,0]=4 335 B11R1.157 CC(C)Nc1cc(ccn1)O 271570a_203496583355_200012354261 [1,0,1,0,0,0|2,0,0]=4 336 B11R1.157 CC(C)Oc1cc(ccn1)O 271570a_203496583355_100010247003 [1,0,1,0,0,0|2,0,0]=4 337 B11R1.157 CC(C)Sc1cc(ccn1)O 62a_100000210206_100000762945 [1,0,1,0,0,0|2,0,0]=4 338 B11R1.157 CC(C)Sc1cc(cnn1)O 62a_100000210206_200010734679 [1,0,1,0,0,0|1,0,1]=4 339 B11R1.192 CCSc1c[nH]c(=O)c(c1)O 62a_100000210202_100009814561 [1,0,1,0,0,0|2,0,0]=4 340 B11R1.192 CCSc1cc(c(=O)[nH]n1)C 62a_100000210202_100012187101 [1,0,1,0,0,0|2,0,0]=4 341 B11R1.192 CCSc1cc(c(=O)[nH]n1)N 62a_100000210202_100000102183 [1,0,1,0,0,0|2,0,0]=4 342 B11R1.1 CCCCc1ccc(=O)[nH]c1 271570a_100020621405_100000212171 [1,0,1,0,0,0|1,0,0]=3 343 B11R1.1 CCCCc1ccc(=O)[nH]n1 271570a_100020621405_100009820020 [1,0,1,0,0,0|0,0,0]=2 344 B11R1.1 CCCCc1ccc(cn1)Br 271570a_100020621405_100000686858 [1,0,1,0,0,0|2,0,0]=4 345 B11R1.1 CCCCc1ccc(cn1)C 271570a_100020621405_100000754016 [1,0,1,0,0,0|2,0,0]=4 346 B11R1.1 CCCCc1ccc(cn1)Cl 271570a_100020621405_100011356976 [1,0,1,0,0,0|2,0,0]=4 347 B11R1.1 CCCCc1ccc(cn1)F 271570a_100020621405_100000744514 [1,0,1,0,0,0|2,0,0]=4 348 B11R1.1 CCCCc1ccc(cn1)N 271570a_100020621405_100000744251 [1,0,1,0,0,0|2,0,0]=4 349 B11R1.1 CCCCc1ccc(cn1)O 271570a_100020621405_100000685995 [1,0,1,0,0,0|1,0,1]=4 350 B11R1.1 CCCCc1ccc(nn1)C 271570a_100020621405_100011450037 [1,0,1,0,0,0|1,0,1]=4 351 B11R1.1 CCCCc1ccc(nn1)N 271570a_100020621405_100009816609 [1,0,1,0,0,0|1,0,1]=4 352 B11R1.1 CCCCc1cnc(=O)[nH]c1 271570a_100020621405_102495366499 [1,0,1,0,0,0|2,0,0]=4 353 B11R1.1 CCCOc1ccc(=O)[nH]c1 34a_100000075641_100000210303 [1,0,1,0,0,0|2,0,0]=4 354 B11R1.1 CCCSc1ccc(=O)[nH]c1 62a_100000210303_100000212171 [1,0,1,0,0,0|2,0,0]=4 355 B11R1.1 CCCSc1ccc(=O)[nH]c1 62a_100000212171_100000210303 [1,0,1,0,0,0|2,0,0]=4 356 B11R1.1 CCCSc1ccc(=O)[nH]n1 62a_100000210303_100009820020 [1,0,1,0,0,0|1,0,0]=3 357 B11R1.1 CCCSc1ccc(=O)[nH]n1 62a_100009820020_100000210303 [1,0,1,0,0,0|1,0,0]=3 358 B11R1.1 CCNCc1ccc(=O)[nH]n1 207a_100015525214_100011361533 [1,0,1,0,0,0|1,0,0]=3 359 B11R1.1 CCNCc1ccc(=O)[nH]n1 270004a_100015525214_100011361533 [1,0,1,0,0,0|1,0,0]=3 360 B11R1.1 CCOCc1ccc(=O)[nH]c1 34a_100011999846_100000210202 [1,0,1,0,0,0|2,0,0]=4 361 B11R1.1 COCSc1ccc(=O)[nH]n1 62a_100000766300_100009820020 [1,0,1,0,0,0|2,0,0]=4 362 B11R1.1 COCSc1ccc(=O)[nH]n1 62a_100009820020_100000766300 [1,0,1,0,0,0|2,0,0]=4 363 B11R1.1 CSCSc1ccc(=O)[nH]n1 62a_100009820020_100011218213 [1,0,1,0,0,0|2,0,0]=4 364 B11R1.1 CSCSc1ccc(=O)[nH]n1 62a_100011218213_100009820020 [1,0,1,0,0,0|2,0,0]=4 365 B11R1.1 O=c1ccc(n[nH]1)SCCF 62a_100009820020_100011217306 [1,0,1,0,0,0|2,0,0]=4 366 B11R1.1 O=c1ccc(n[nH]1)SCCF 62a_100011217306_100009820020 [1,0,1,0,0,0|2,0,0]=4 367 B11R1.1 O=c1ccc(n[nH]1)SCCO 62a_100000211926_100009820020 [1,0,1,0,0,0|2,0,0]=4 368 B11R1.1 O=c1ccc(n[nH]1)SCCO 62a_100009820020_100000211926 [1,0,1,0,0,0|2,0,0]=4 369 B11R1.24 CCCCc1cc(ccn1)C 271570a_100020621405_100000750283 [1,0,1,0,0,0|2,0,0]=4 370 B11R1.24 CCCCc1cc(ccn1)Cl 271570a_100020621405_100010167805 [1,0,1,0,0,0|2,0,0]=4 371 B11R1.24 CCCCc1cc(ccn1)F 271570a_100020621405_100009817058 [1,0,1,0,0,0|2,0,0]=4 372 B11R1.24 CCCCc1cc(ccn1)N 271570a_100020621405_100009814236 [1,0,1,0,0,0|2,0,0]=4 373 B11R1.24 CCCCc1cc(ccn1)O 271570a_100020621405_100000762945 [1,0,1,0,0,0|1,0,0]=3 374 B11R1.24 CCCCc1cc(cnn1)C 271570a_100020621405_100000070100 [1,0,1,0,0,0|1,0,1]=4 375 B11R1.24 CCCCc1cc(cnn1)O 271570a_100020621405_200010734679 [1,0,1,0,0,0|0,0,1]=3 376 B11R1.24 CCCCc1cc(ncn1)O 271570a_100020621405_100000765262 [1,0,1,0,0,0|2,0,0]=4 377 B11R1.24 CCCCc1cccc(c1)O 271570a_100020621405_100000211634 [1,0,1,0,0,0|2,0,0]=4 378 B11R1.24 CCCCc1cccc(c1)O 271570a_203496583355_200010244551 [1,0,1,0,0,0|2,0,0]=4 379 B11R1.24 CCCCc1cncc(c1)O 271570a_100020621405_100000754920 [1,0,1,0,0,0|1,0,1]=4 380 B11R1.24 CCCCc1nccc(n1)O 271570a_100020621405_100011649813 [1,0,1,0,0,0|2,0,0]=4 381 B11R1.24 CCCSc1cc(ccn1)O 62a_100000210303_100000762945 [1,0,1,0,0,0|2,0,0]=4 382 B11R1.24 CCCSc1cc(cnn1)O 62a_100000210303_200010734679 [1,0,1,0,0,0|1,0,1]=4 383 B11R1.348 CC(=O)NN=C(C)CC1CC1 4a_100000189765_200000686933 [1,0,1,0,0,0|0,0,2]=4 384 B11R2.238 c1ccc(nc1)SC2CC2 62a_100011216584_100000211595 [2,0,0,0,0,0|2,0,0]=4 385 B11R2.238 c1cnnc(c1)NC2CC2 27a_100000212008_100016991348 [2,0,0,0,0,0|1,0,1]=4 386 B11R2.238 c1cnnc(c1)SC2CC2 62a_100016991348_100000211595 [2,0,0,0,0,0|1,0,1]=4 387 B13R1.52 COc1cc(c[nH]c1=O)SC(C)C 62a_100000210206_100010125397 [0,1,1,0,0,0|2,0,0]=4 388 B13R1.518 CC(C)(C)Sc1c[nH]c(=O)c(c1)O 62a_100000211941_100009814561 [0,1,1,0,0,0|2,0,0]=4 389 B13R1.518 CC(C)(C)Sc1cc(c(=O)[nH]n1)N 62a_100000211941_100000102183 [0,1,1,0,0,0|2,0,0]=4 390 B13R1.518 Cc1cc(n[nH]c1=O)SC(C)(C)C 62a_100000211941_100012187101 [0,1,1,0,0,0|2,0,0]=4 391 B13R1.2879 CC(CO)Sc1c[nH]c(=O)c(c1)O 62a_100012180447_100009814561 [0,1,1,0,0,0|2,0,0]=4 392 B13R1.2879 CC(CO)Sc1cc(c(=O)[nH]n1)N 62a_100012180447_100000102183 [0,1,1,0,0,0|2,0,0]=4 393 B13R1.2879 CCC(C)Sc1c[nH]c(=O)c(c1)O 62a_100000758301_100009814561 [0,1,1,0,0,0|2,0,0]=4 394 B13R1.2879 CCC(C)Sc1cc(c(=O)[nH]n1)C 62a_100000758301_100012187101 [0,1,1,0,0,0|2,0,0]=4 395 B13R1.2879 CCC(C)Sc1cc(c(=O)[nH]n1)N 62a_100000758301_100000102183 [0,1,1,0,0,0|2,0,0]=4 396 B13R1.2879 COC(C)Sc1c[nH]c(=O)c(c1)O 62a_100009879195_100009814561 [0,1,1,0,0,0|2,0,0]=4 397 B13R1.2879 COC(C)Sc1cc(c(=O)[nH]n1)C 62a_100009879195_100012187101 [0,1,1,0,0,0|2,0,0]=4 398 B13R1.2879 COC(C)Sc1cc(c(=O)[nH]n1)N 62a_100009879195_100000102183 [0,1,1,0,0,0|2,0,0]=4 399 B13R1.2879 C[C@H](CO)Sc1c[nH]c(=O)c(c1)O 62a_100016084084_100009814561 [0,1,1,0,0,0|2,0,0]=4 400 B13R1.2879 C[C@H](CO)Sc1cc(c(=O)[nH]n1)N 62a_100016084084_100000102183 [0,1,1,0,0,0|2,0,0]=4 401 B13R1.2879 Cc1cc(n[nH]c1=O)SC(C)CO 62a_100012180447_100012187101 [0,1,1,0,0,0|2,0,0]=4 402 B13R1.2879 Cc1cc(n[nH]c1=O)S[C@H](C)CO 62a_100016084084_100012187101 [0,1,1,0,0,0|2,0,0]=4 403 B13R1.3763 Cc1cc(nn(c1=O)C)SC(C)C 62a_100000210206_100010988966 [0,1,1,0,0,0|2,0,0]=4 404 B13R1.3763 Cc1cc(nn(c1=O)C)SC(C)C 62a_100010988966_100000210206 [0,1,1,0,0,0|2,0,0]=4 405 B13R1.136 CCCCc1cc(c(=O)n(c1)C)C 271570a_100020621405_100011830242 [0,1,1,0,0,0|2,0,0]=4 406 B13R1.136 CCCCc1cc(c(=O)n(c1)C)F 271570a_100020621405_100010749421 [0,1,1,0,0,0|2,0,0]=4 407 B13R1.136 CCCCc1cc(c(=O)n(c1)C)N 271570a_100020621405_106446545582 [0,1,1,0,0,0|2,0,0]=4 408 B13R1.136 CCCCc1cc(c(=O)n(n1)C)C 271570a_100020621405_100010988966 [0,1,1,0,0,0|1,0,0]=3 409 B13R1.136 CCCSc1cc(c(=O)n(n1)C)C 62a_100000210303_100010988966 [0,1,1,0,0,0|2,0,0]=4 410 B13R1.136 CCCSc1cc(c(=O)n(n1)C)C 62a_100010988966_100000210303 [0,1,1,0,0,0|2,0,0]=4 411 B13R1.511 CC(C)CSc1c[nH]c(=O)c(c1)O 62a_100000210624_100009814561 [0,1,1,0,0,0|2,0,0]=4 412 B13R1.511 CC(C)CSc1cc(c(=O)[nH]n1)N 62a_100000210624_100000102183 [0,1,1,0,0,0|2,0,0]=4 413 B13R1.511 CC(O)CSc1c[nH]c(=O)c(c1)O 62a_100011218427_100009814561 [0,1,1,0,0,0|2,0,0]=4 414 B13R1.511 CC(O)CSc1cc(c(=O)[nH]n1)N 62a_100011218427_100000102183 [0,1,1,0,0,0|2,0,0]=4 415 B13R1.511 C[C@@H](O)CSc1c[nH]c(=O)c(c1)O 62a_100009817552_100009814561 [0,1,1,0,0,0|2,0,0]=4 416 B13R1.511 C[C@@H](O)CSc1cc(c(=O)[nH]n1)N 62a_100009817552_100000102183 [0,1,1,0,0,0|2,0,0]=4 417 B13R1.511 Cc1cc(n[nH]c1=O)SCC(C)C 62a_100000210624_100012187101 [0,1,1,0,0,0|2,0,0]=4 418 B13R1.511 Cc1cc(n[nH]c1=O)SCC(C)O 62a_100011218427_100012187101 [0,1,1,0,0,0|2,0,0]=4 419 B13R1.511 Cc1cc(n[nH]c1=O)SC[C@@H](C)O 62a_100009817552_100012187101 [0,1,1,0,0,0|2,0,0]=4 420 B13R1.575 CCCCc1c[nH]c(=O)c(c1)OC 271570a_100020621405_100010125397 [0,1,1,0,0,0|1,0,0]=3 421 B13R1.575 CCCCc1cc(c(cn1)C)OC 271570a_100020621405_100010067687 [0,1,1,0,0,0|2,0,0]=4 422 B13R1.575 CCCCc1cc(c(cn1)F)CO 271570a_100020621405_100000081974 [0,1,1,0,0,0|2,0,0]=4 423 B13R1.575 CCCCc1cc(c(cn1)F)OC 271570a_100020621405_200010136270 [0,1,1,0,0,0|2,0,0]=4 424 B13R1.575 CCCCc1cc(c(cn1)N)OC 271570a_100020621405_100009887741 [0,1,1,0,0,0|2,0,0]=4 425 B13R1.575 CCCCc1cc(c(nn1)N)OC 271570a_100020621405_100000688033 [0,1,1,0,0,0|1,0,1]=4 426 B13R1.575 CCCSc1c[nH]c(=O)c(c1)OC 62a_100000210303_100010125397 [0,1,1,0,0,0|2,0,0]=4 427 B13R1.577 CCCCc1cc(c(cn1)C=O)C 271570a_100020621405_100000085382 [0,1,1,0,0,0|2,0,0]=4 428 B13R1.577 CCCCc1cc(c(cn1)OC)O 271570a_100020621405_100010264082 [0,1,1,0,0,0|1,0,1]=4 429 B13R1.577 CCCCc1ccc(c(c1)O)C=O 271570a_100020621405_100011277552 [0,1,1,0,0,0|2,0,0]=4 430 B13R1.669 CCCC=Cc1c[nH]c(=O)c(c1)O 271570a_100016258520_100009814561 [0,1,1,0,0,0|1,0,1]=4 431 B13R1.669 CCCC=Cc1cc(c(=O)[nH]n1)C 271570a_100016258520_100012187101 [0,1,1,0,0,0|1,0,1]=4 432 B13R1.669 CCCC=Cc1cc(c(=O)[nH]n1)N 271570a_100016258520_100000102183 [0,1,1,0,0,0|1,0,1]=4 433 B13R1.669 CCCCSc1c[nH]c(=O)c(c1)Br 62a_100000210211_100010125443 [0,1,1,0,0,0|2,0,0]=4 434 B13R1.669 CCCCSc1c[nH]c(=O)c(c1)Br 62a_100010125443_100000210210 [0,1,1,0,0,0|2,0,0]=4 435 B13R1.669 CCCCSc1c[nH]c(=O)c(c1)F 62a_100000210211_100000723523 [0,1,1,0,0,0|2,0,0]=4 436 B13R1.669 CCCCSc1c[nH]c(=O)c(c1)F 62a_100000723523_100000210210 [0,1,1,0,0,0|2,0,0]=4 437 B13R1.669 CCCCSc1c[nH]c(=O)c(c1)O 62a_100000210211_100009814561 [0,1,1,0,0,0|1,0,0]=3 438 B13R1.669 CCCCSc1cc(c(=O)[nH]n1)C 62a_100000210211_100012187101 [0,1,1,0,0,0|1,0,0]=3 439 B13R1.669 CCCCSc1cc(c(=O)[nH]n1)N 62a_100000210211_100000102183 [0,1,1,0,0,0|1,0,0]=3 440 B13R1.669 CCCCSc1cc(c(cn1)C)O 62a_100000210211_100000704368 [0,1,1,0,0,0|2,0,0]=4 441 B13R1.669 CCCCSc1cc(c(cn1)C)O 62a_100000704368_100000210210 [0,1,1,0,0,0|2,0,0]=4 442 B13R1.669 CCCCSc1cc(c(cn1)F)O 62a_100000210211_100009854642 [0,1,1,0,0,0|2,0,0]=4 443 B13R1.669 CCCCSc1cc(c(cn1)F)O 62a_100009854642_100000210210 [0,1,1,0,0,0|2,0,0]=4 444 B13R1.669 CCCNCc1c[nH]c(=O)c(c1)Cl 207a_100020643023_100000051075 [0,1,1,0,0,0|2,0,0]=4 445 B13R1.669 CCCNCc1c[nH]c(=O)c(c1)Cl 270004a_100020643023_100000051075 [0,1,1,0,0,0|2,0,0]=4 446 B13R1.669 CCOCSc1c[nH]c(=O)c(c1)O 62a_100000739092_100009814561 [0,1,1,0,0,0|2,0,0]=4 447 B13R1.669 CCOCSc1cc(c(=O)[nH]n1)C 62a_100000739092_100012187101 [0,1,1,0,0,0|2,0,0]=4 448 B13R1.669 CCOCSc1cc(c(=O)[nH]n1)N 62a_100000739092_100000102183 [0,1,1,0,0,0|2,0,0]=4 449 B13R1.669 COCCSc1c[nH]c(=O)c(c1)O 62a_100000233755_100009814561 [0,1,1,0,0,0|2,0,0]=4 450 B13R1.669 COCCSc1cc(c(=O)[nH]n1)C 62a_100000233755_100012187101 [0,1,1,0,0,0|2,0,0]=4 451 B13R1.669 COCCSc1cc(c(=O)[nH]n1)N 62a_100000233755_100000102183 [0,1,1,0,0,0|2,0,0]=4 452 B13R1.669 CSCCSc1c[nH]c(=O)c(c1)O 62a_100000212216_100009814561 [0,1,1,0,0,0|2,0,0]=4 453 B13R1.669 CSCCSc1cc(c(=O)[nH]n1)C 62a_100000212216_100012187101 [0,1,1,0,0,0|2,0,0]=4 454 B13R1.669 CSCCSc1cc(c(=O)[nH]n1)N 62a_100000212216_100000102183 [0,1,1,0,0,0|2,0,0]=4 455 B13R1.669 Cc1cc(n[nH]c1=O)SCCCF 62a_100011934791_100012187101 [0,1,1,0,0,0|2,0,0]=4 456 B13R1.669 Cc1cc(n[nH]c1=O)SCCCO 62a_100011215043_100012187101 [0,1,1,0,0,0|2,0,0]=4 457 B13R1.669 Nc1cc(n[nH]c1=O)SCCCF 62a_100011934791_100000102183 [0,1,1,0,0,0|2,0,0]=4 458 B13R1.669 Nc1cc(n[nH]c1=O)SCCCO 62a_100011215043_100000102183 [0,1,1,0,0,0|2,0,0]=4 459 B13R1.669 O=c1[nH]cc(cc1O)SCCCF 62a_100011934791_100009814561 [0,1,1,0,0,0|2,0,0]=4 460 B13R1.669 O=c1[nH]cc(cc1O)SCCCO 62a_100011215043_100009814561 [0,1,1,0,0,0|2,0,0]=4 461 B13R1.1630 CCCCc1cc(c(=O)[nH]c1C)N 271570a_100020621405_100010126670 [0,1,1,0,0,0|2,0,0]=4 462 B13R1.3518 CCCCc1c[nH]c(=O)c(c1C)N 271570a_100020621405_100010163742 [0,1,1,0,0,0|2,0,0]=4 463 B13R1.1051 CC(=NNC(=O)C(=O)N)CC1CC1 4a_100000211141_200000686933 [0,1,1,0,0,0|0,0,2]=4 464 B13R1.3132 COCC(=O)NN=C(C)CC1CC1 4a_100000216845_200000686933 [0,1,1,0,0,0|0,0,2]=4 465 B13R2.184 O=Cc1ccc(nc1)SC2CC2 62a_100000766901_100000211595 [1,1,0,0,0,0|2,0,0]=4 466 B13R2.184 O=Cc1ccc(nn1)SC2CC2 62a_100000044651_100000211595 [1,1,0,0,0,0|1,0,1]=4 467 B13R2.520 C=C(c1ccc(=O)[nH]c1)C2CC2 271570a_100010895485_100000212171 [1,1,0,0,0,0|1,0,1]=4 468 B13R2.520 C=C(c1ccc(=O)[nH]n1)C2CC2 271570a_100010895485_100009820020 [1,1,0,0,0,0|0,0,1]=3 469 B13R2.5400 Nc1[nH]c(=O)ccc1SC2CC2 62a_100009884077_100000211595 [1,1,0,0,0,0|2,0,0]=4 470 B13R2.5400 O=c1[nH]nc(c(=O)[nH]1)NC2CC2 27a_100000212008_100000181694 [1,1,0,0,0,0|2,0,0]=4 471 B13R2.5400 O=c1cc(c(c[nH]1)SC2CC2)F 62a_100015631685_100000211595 [1,1,0,0,0,0|2,0,0]=4 472 B13R2.2038 COc1ccnc(c1)SC2CC2 62a_100009817693_100000211595 [1,1,0,0,0,0|2,0,0]=4 473 B13R2.2038 OCc1ccnc(c1)SC2CC2 62a_100009814636_100000211595 [1,1,0,0,0,0|2,0,0]=4 474 B13R2.5324 C=C(c1cc(ccn1)O)C2CC2 271570a_100010895485_100000762945 [1,1,0,0,0,0|1,0,1]=4 475 B13R2.5324 C=C(c1cc(cnn1)O)C2CC2 271570a_100010895485_200010734679 [1,1,0,0,0,0|0,0,2]=4 476 B13R2.5325 Oc1ccnc(c1F)SC2CC2 62a_100009876375_100000211595 [1,1,0,0,0,0|2,0,0]=4 477 B13R2.2396 COc1cnc(cc1O)C2CC2 271570a_100011220607_100010264082 [0,1,0,0,1,0|1,0,1]=4 478 B13R2.2396 Cc1cc(ncc1C=O)C2CC2 271570a_100011220607_100000085382 [0,1,0,0,1,0|2,0,0]=4 479 B13R2.2396 O=Cc1ccc(cc1O)C2CC2 271570a_100011220607_100011277552 [0,1,0,0,1,0|2,0,0]=4 480 B13R2.2461 COc1cc(c[nH]c1=O)C2CC2 271570a_100011220607_100010125397 [0,1,0,0,1,0|1,0,0]=3 481 B13R2.2461 COc1cc(ncc1C)C2CC2 271570a_100011220607_100010067687 [0,1,0,0,1,0|2,0,0]=4 482 B13R2.2461 COc1cc(ncc1F)C2CC2 271570a_100011220607_200010136270 [0,1,0,0,1,0|2,0,0]=4 483 B13R2.2461 COc1cc(ncc1N)C2CC2 271570a_100011220607_100009887741 [0,1,0,0,1,0|2,0,0]=4 484 B13R2.2461 COc1cc(nnc1N)C2CC2 271570a_100011220607_100000688033 [0,1,0,0,1,0|1,0,1]=4 485 B13R2.2461 OCc1cc(ncc1F)C2CC2 271570a_100011220607_100000081974 [0,1,0,0,1,0|2,0,0]=4 486 B13R2.5391 Cc1[nH]c(=O)c(cc1C2CC2)N 271570a_100011220607_100010126670 [0,1,0,0,1,0|2,0,0]=4 487 B13R2.5398 Cc1c(c[nH]c(=O)c1N)C2CC2 271570a_100011220607_100010163742 [0,1,0,0,1,0|2,0,0]=4 488 B13R2.12698 Cc1cc(cn(c1=O)C)C2CC2 271570a_100011220607_100011830242 [0,1,0,0,1,0|2,0,0]=4 489 B13R2.12698 Cc1cc(nn(c1=O)C)C2CC2 271570a_100011220607_100010988966 [0,1,0,0,1,0|1,0,0]=3 490 B13R2.12698 Cn1cc(cc(c1=O)F)C2CC2 271570a_100011220607_100010749421 [0,1,0,0,1,0|2,0,0]=4 491 B13R2.12698 Cn1cc(cc(c1=O)N)C2CC2 271570a_100011220607_106446545582 [0,1,0,0,1,0|2,0,0]=4 492 B15R2.1524 CC1(CC1)NCc2c[nH]c(=O)c(c2)Cl 207a_100000757604_100000051075 [0,1,0,0,0,1|2,0,0]=4 493 B15R2.1524 CC1(CO1)CSc2c[nH]c(=O)c(c2)O 62a_100000760498_100009814561 [0,1,0,0,0,1|2,0,0]=4 494 B15R2.1524 CC1(CO1)CSc2cc(c(=O)[nH]n2)N 62a_100000760498_100000102183 [0,1,0,0,0,1|2,0,0]=4 495 B15R2.1524 Cc1cc(n[nH]c1=O)SCC2(CO2)C 62a_100000760498_100012187101 [0,1,0,0,0,1|2,0,0]=4 496 B15R2.1526 CN(Cc1c[nH]c(=O)c(c1)Cl)C2CC2 270004a_100000226674_100000051075 [0,1,0,0,0,1|2,0,0]=4 497 B15R2.4522 COc1cc(c[nH]c1=O)C#CC2CC2 271570a_200009880635_100010125397 [0,1,0,0,0,1|1,0,1]=4 498 B15R2.4522 COc1cc(c[nH]c1=O)C=CC2CC2 271570a_100102526188_100010125397 [0,1,0,0,0,1|1,0,1]=4 499 B15R2.4522 COc1cc(c[nH]c1=O)SCC2CC2 62a_100000756562_100010125397 [0,1,0,0,0,1|1,0,0]=3 500 B15R2.4522 COc1cc(c[nH]c1=O)SCC2CO2 62a_102125554688_100010125397 [0,1,0,0,0,1|2,0,0]=4 501 B15R2.4522 COc1cc(c[nH]c1=O)SCC2CS2 62a_100000031435_100010125397 [0,1,0,0,0,1|2,0,0]=4 502 B15R2.4522 COc1cc(c[nH]c1=O)SC[C@@H]2CO2 62a_100000745022_100010125397 [0,1,0,0,0,1|2,0,0]=4 503 B15R2.4522 COc1cc(ncc1Br)COC2CC2 34a_100010999569_100000211595 [0,1,0,0,0,1|2,0,0]=4 504 B15R2.4522 COc1cc(ncc1C)SCC2CC2 62a_100000756562_100010067687 [0,1,0,0,0,1|2,0,0]=4 505 B15R2.4522 COc1cc(ncc1C)SCC2CC2 62a_100010067687_100000742324 [0,1,0,0,0,1|2,0,0]=4 506 B15R2.4522 COc1cc(ncc1F)SCC2CC2 62a_100000756562_200010136270 [0,1,0,0,0,1|2,0,0]=4 507 B15R2.4522 COc1cc(ncc1F)SCC2CC2 62a_200010136270_100000742324 [0,1,0,0,0,1|2,0,0]=4 508 B15R2.4522 COc1cc(ncc1N)SCC2CC2 62a_100000756562_100009887741 [0,1,0,0,0,1|2,0,0]=4 509 B15R2.4522 COc1cc(ncc1N)SCC2CC2 62a_100009887741_100000742324 [0,1,0,0,0,1|2,0,0]=4 510 B15R2.4522 COc1cc(nnc1N)SCC2CC2 62a_100000688033_100000742324 [0,1,0,0,0,1|1,0,1]=4 511 B15R2.4522 COc1cc(nnc1N)SCC2CC2 62a_100000756562_100000688033 [0,1,0,0,0,1|1,0,1]=4 512 B15R2.4522 OCc1cc(ncc1F)SCC2CC2 62a_100000081974_100000742324 [0,1,0,0,0,1|2,0,0]=4 513 B15R2.4522 OCc1cc(ncc1F)SCC2CC2 62a_100000756562_100000081974 [0,1,0,0,0,1|2,0,0]=4 514 B15R2.15597 Cc1[nH]c(=O)c(cc1SCC2CC2)N 62a_100000756562_100010126670 [0,1,0,0,0,1|2,0,0]=4 515 B15R2.15597 Cc1[nH]c(=O)c(cc1SCC2CC2)N 62a_100010126670_100000742324 [0,1,0,0,0,1|2,0,0]=4 516 B15R2.31892 COc1cnc(cc1O)SCC2CC2 62a_100000756562_100010264082 [0,1,0,0,0,1|1,0,1]=4 517 B15R2.31892 Cc1cc(ncc1C=O)SCC2CC2 62a_100000085382_100000742324 [0,1,0,0,0,1|2,0,0]=4 518 B15R2.31892 Cc1cc(ncc1C=O)SCC2CC2 62a_100000756562_100000085382 [0,1,0,0,0,1|2,0,0]=4 519 B15R2.31892 Nc1cc(ncc1C=O)SCC2CC2 62a_100000050503_100000742324 [0,1,0,0,0,1|2,0,0]=4 520 B15R2.31892 Nc1cc(ncc1C=O)SCC2CC2 62a_100000756562_100000050503 [0,1,0,0,0,1|2,0,0]=4 521 B15R2.31892 O=Cc1ccc(cc1O)SCC2CC2 62a_100000756562_100011277552 [0,1,0,0,0,1|2,0,0]=4 522 B15R2.31892 O=Cc1ccc(cc1O)SCC2CC2 62a_100011277552_100000742324 [0,1,0,0,0,1|2,0,0]=4 523 B15R2.65845 Cc1c(c[nH]c(=O)c1N)SCC2CC2 62a_100000756562_100010163742 [0,1,0,0,0,1|2,0,0]=4 524 B15R2.65845 Cc1c(c[nH]c(=O)c1N)SCC2CC2 62a_100010163742_100000742324 [0,1,0,0,0,1|2,0,0]=4 525 B15R2.152902 Cc1cc(cn(c1=O)C)SCC2CC2 62a_100000756562_100011830242 [0,1,0,0,0,1|2,0,0]=4 526 B15R2.152902 Cc1cc(cn(c1=O)C)SCC2CC2 62a_100011830242_100000742324 [0,1,0,0,0,1|2,0,0]=4 527 B15R2.152902 Cc1cc(nn(c1=O)C)C#CC2CC2 271570a_200009880635_100010988966 [0,1,0,0,0,1|1,0,1]=4 528 B15R2.152902 Cc1cc(nn(c1=O)C)C=CC2CC2 271570a_100102526188_100010988966 [0,1,0,0,0,1|1,0,1]=4 529 B15R2.152902 Cc1cc(nn(c1=O)C)SCC2CC2 62a_100000756562_100010988966 [0,1,0,0,0,1|1,0,0]=3 530 B15R2.152902 Cc1cc(nn(c1=O)C)SCC2CC2 62a_100010988966_100000742324 [0,1,0,0,0,1|1,0,0]=3 531 B15R2.152902 Cc1cc(nn(c1=O)C)SCC2CO2 62a_100010988966_102125554688 [0,1,0,0,0,1|2,0,0]=4 532 B15R2.152902 Cc1cc(nn(c1=O)C)SCC2CO2 62a_102125554688_100010988966 [0,1,0,0,0,1|2,0,0]=4 533 B15R2.152902 Cc1cc(nn(c1=O)C)SCC2CS2 62a_100000031435_100010988966 [0,1,0,0,0,1|2,0,0]=4 534 B15R2.152902 Cc1cc(nn(c1=O)C)SCC2CS2 62a_100010988966_100000031435 [0,1,0,0,0,1|2,0,0]=4 535 B15R2.152902 Cc1cc(nn(c1=O)C)SC[C@@H]2CO2 62a_100000745022_100010988966 [0,1,0,0,0,1|2,0,0]=4 536 B15R2.152902 Cc1cc(nn(c1=O)C)SC[C@@H]2CO2 62a_100010988966_100000745022 [0,1,0,0,0,1|2,0,0]=4 537 B15R2.152902 Cn1cc(cc(c1=O)F)SCC2CC2 62a_100000756562_100010749421 [0,1,0,0,0,1|2,0,0]=4 538 B15R2.152902 Cn1cc(cc(c1=O)F)SCC2CC2 62a_100010749421_100000742324 [0,1,0,0,0,1|2,0,0]=4 539 B15R2.152902 Cn1cc(cc(c1=O)N)SCC2CC2 62a_100000756562_106446545582 [0,1,0,0,0,1|2,0,0]=4 540 B15R2.152902 Cn1cc(cc(c1=O)N)SCC2CC2 62a_106446545582_100000742324 [0,1,0,0,0,1|2,0,0]=4 541 B15R2.1522 Cc1cc(n[nH]c1=O)SC2CCC2=O 62a_100009892977_100012187101 [0,1,0,0,0,1|2,0,0]=4 542 B15R2.1522 Nc1cc(n[nH]c1=O)SC2CCC2=O 62a_100009892977_100000102183 [0,1,0,0,0,1|2,0,0]=4 543 B15R2.1522 O=C1CCC1Sc2c[nH]c(=O)c(c2)O 62a_100009892977_100009814561 [0,1,0,0,0,1|2,0,0]=4 544 B15R2.1523 Cc1cc(n[nH]c1=O)SC2CC(=O)C2 62a_100009894365_100012187101 [0,1,0,0,0,1|2,0,0]=4 545 B15R2.1523 Nc1cc(n[nH]c1=O)SC2CC(=O)C2 62a_100009894365_100000102183 [0,1,0,0,0,1|2,0,0]=4 546 B15R2.1523 O=C1CC(C1)Sc2c[nH]c(=O)c(c2)O 62a_100009894365_100009814561 [0,1,0,0,0,1|2,0,0]=4 547 B15R2.141386 Cc1cc(nn(c1=O)C)SC2CCC2 62a_100010988966_100000749161 [0,1,0,0,0,1|2,0,0]=4 548 B15R2.141386 Cc1cc(nn(c1=O)C)SC2COC2 62a_100010988966_100009818527 [0,1,0,0,0,1|2,0,0]=4 549 B15R2.34058 Cc1cc(n[nH]c1=O)SC2(CC2)C#N 62a_100009889376_100012187101 [0,2,0,0,0,0|2,0,0]=4 550 B15R2.34058 N#CC1(CC1)Sc2c[nH]c(=O)c(c2)O 62a_100009889376_100009814561 [0,2,0,0,0,0|2,0,0]=4 551 B15R2.34058 N#CC1(CC1)Sc2cc(c(=O)[nH]n2)N 62a_100009889376_100000102183 [0,2,0,0,0,0|2,0,0]=4 552 B15R2.4509 C=C(c1c[nH]c(=O)c(c1)OC)C2CC2 271570a_100010895485_100010125397 [0,2,0,0,0,0|1,0,1]=4 553 B15R2.47526 C=C(c1cc(c(=O)n(n1)C)C)C2CC2 271570a_100010895485_100010988966 [0,2,0,0,0,0|1,0,1]=4 554 B15R2.31888 COc1cc(ncc1C=O)SC2CC2 62a_100009846838_100000211595 [0,2,0,0,0,0|2,0,0]=4 555 B11R0.29 CC(C)CC=NNC(=O)C(=O)N 4a_100000211141_100000185833 [0,0,2,0,0,0|1,0,1]=4 556 B11R0.42 CCCCC=NNC(=O)C(=O)N 4a_100000211141_100000210104 [0,0,2,0,0,0|1,0,1]=4 557 B13R2.530 CNC(=O)c1ccc(o1)C2CC2 271570a_100011220607_100000159859 [0,0,1,1,0,0|1,0,1]=4 558 B13R2.530 NNC(=O)c1ccc(o1)C2CC2 271570a_100011220607_100000186364 [0,0,1,1,0,0|0,0,2]=4 559 B13R2.5554 NC(=O)c1cc(co1)SC2CC2 62a_200009817131_100000211595 [0,0,1,1,0,0|2,0,0]=4 560 B13R2.5554 NC(=O)c1cc(no1)SC2CC2 62a_100010589868_100000211595 [0,0,1,1,0,0|1,0,0]=3 561 B13R2.5554 NC(=O)c1cn(nn1)CC2CC2 274090a_100000742324_100011470575 [0,0,1,1,0,0|2,0,0]=4 562 B13R2.5554 NC(=O)c1nc(no1)CC2CC2 270196a_100000755404_100011215815 [0,0,1,1,0,0|1,0,0]=3 563 B11R1.212 CCCCc1n[nH]c(c1C)C 271570a_100020621405_100015309786 [0,0,1,0,1,0|2,0,0]=4 564 B11R2.34 Brc1ccc(nc1)C2CC2 271570a_100011220607_100000686858 [1,0,0,0,1,0|2,0,0]=4 565 B11R2.34 Cc1ccc(nc1)C2CC2 271570a_100011220607_100000754016 [1,0,0,0,1,0|2,0,0]=4 566 B11R2.34 Cc1ccc(nn1)C2CC2 271570a_100011220607_100011450037 [1,0,0,0,1,0|1,0,1]=4 567 B11R2.34 Clc1ccc(nc1)C2CC2 271570a_100011220607_100011356976 [1,0,0,0,1,0|2,0,0]=4 568 B11R2.34 Fc1ccc(nc1)C2CC2 271570a_100011220607_100000744514 [1,0,0,0,1,0|2,0,0]=4 569 B11R2.34 Nc1ccc(nc1)C2CC2 271570a_100011220607_100000744251 [1,0,0,0,1,0|2,0,0]=4 570 B11R2.34 Nc1ccc(nn1)C2CC2 271570a_100011220607_100009816609 [1,0,0,0,1,0|1,0,1]=4 571 B11R2.34 O=c1ccc(c[nH]1)C2CC2 271570a_100011220607_100000212171 [1,0,0,0,1,0|1,0,0]=3 572 B11R2.34 O=c1ccc(n[nH]1)C2CC2 271570a_100011220607_100009820020 [1,0,0,0,1,0|0,0,0]=2 573 B11R2.34 O=c1ncc(c[nH]1)C2CC2 271570a_100011220607_102495366499 [1,0,0,0,1,0|2,0,0]=4 574 B11R2.34 Oc1ccc(nc1)C2CC2 271570a_100011220607_100000685995 [1,0,0,0,1,0|1,0,1]=4 575 B11R2.34 Oc1ccc(nc1)C2CC2 271570a_203496583355_100009850895 [1,0,0,0,1,0|1,0,1]=4 576 B11R2.34 Oc1ccc(nn1)C2CC2 271570a_203496583355_100000754422 [1,0,0,0,1,0|0,0,2]=4 577 B11R2.351 Cc1cc(n[nH]1)SC2CC2 62a_100009819999_100000211595 [1,0,0,0,1,0|2,0,0]=4 578 B11R2.351 Nc1cc(n[nH]1)SC2CC2 62a_100009822546_100000211595 [1,0,0,0,1,0|2,0,0]=4 579 B11R2.35 Cc1ccnc(c1)C2CC2 271570a_100011220607_100000750283 [1,0,0,0,1,0|2,0,0]=4 580 B11R2.35 Cc1cnnc(c1)C2CC2 271570a_100011220607_100000070100 [1,0,0,0,1,0|1,0,1]=4 581 B11R2.35 Clc1ccnc(c1)C2CC2 271570a_100011220607_100010167805 [1,0,0,0,1,0|2,0,0]=4 582 B11R2.35 Fc1ccnc(c1)C2CC2 271570a_100011220607_100009817058 [1,0,0,0,1,0|2,0,0]=4 583 B11R2.35 Nc1ccnc(c1)C2CC2 271570a_100011220607_100009814236 [1,0,0,0,1,0|2,0,0]=4 584 B11R2.35 Oc1cc(ncn1)C2CC2 271570a_100011220607_100000765262 [1,0,0,0,1,0|2,0,0]=4 585 B11R2.35 Oc1cccc(c1)C2CC2 271570a_100011220607_100000211634 [1,0,0,0,1,0|2,0,0]=4 586 B11R2.35 Oc1cccc(c1)C2CC2 271570a_203496583355_100009816567 [1,0,0,0,1,0|2,0,0]=4 587 B11R2.35 Oc1ccnc(c1)C2CC2 271570a_100011220607_100000762945 [1,0,0,0,1,0|1,0,0]=3 588 B11R2.35 Oc1ccnc(c1)C2CC2 271570a_203496583355_100009820009 [1,0,0,0,1,0|1,0,0]=3 589 B11R2.35 Oc1ccnc(n1)C2CC2 271570a_100011220607_100011649813 [1,0,0,0,1,0|2,0,0]=4 590 B11R2.35 Oc1ccnc(n1)C2CC2 271570a_203496583355_100000754726 [1,0,0,0,1,0|2,0,0]=4 591 B11R2.35 Oc1cncc(c1)C2CC2 271570a_100011220607_100000754920 [1,0,0,0,1,0|1,0,1]=4 592 B11R2.35 Oc1cncc(c1)C2CC2 271570a_203496583355_200009866503 [1,0,0,0,1,0|1,0,1]=4 593 B11R2.35 Oc1cnnc(c1)C2CC2 271570a_100011220607_200010734679 [1,0,0,0,1,0|0,0,1]=3 594 B11R2.115 Brc1c[nH]nc1SC2CC2 62a_100015839836_100000211595 [1,0,0,0,1,0|2,0,0]=4 595 B11R2.115 Cc1c[nH]nc1SC2CC2 62a_100009871783_100000211595 [1,0,0,0,1,0|2,0,0]=4 596 B11R2.115 Nc1c[nH]nc1SC2CC2 62a_100010894806_100000211595 [1,0,0,0,1,0|2,0,0]=4 597 B11R2.1073 Cc1[nH]nc(c1C)C2CC2 271570a_100011220607_100015309786 [0,0,0,0,2,0|2,0,0]=4 598 B13R2.527 Brc1ccc(nc1)CNC2CC2 34a_100000212008_100000702658 [1,0,0,0,0,1|2,0,0]=4 599 B13R2.527 Brc1ccc(nc1)CNC2CC2 34a_100015188789_100000211595 [1,0,0,0,0,1|2,0,0]=4 600 B13R2.527 Brc1ccc(nc1)COC2CC2 34a_100000754261_100000211595 [1,0,0,0,0,1|2,0,0]=4 601 B13R2.527 Brc1ccc(nc1)CSC2CC2 62a_100000702658_100000211595 [1,0,0,0,0,1|2,0,0]=4 602 B13R2.527 Brc1ccc(nc1)NCC2CC2 27a_100000735609_100000686858 [1,0,0,0,0,1|2,0,0]=4 603 B13R2.527 Brc1ccc(nc1)SCC2CC2 62a_100000686858_100000742324 [1,0,0,0,0,1|2,0,0]=4 604 B13R2.527 Brc1ccc(nc1)SCC2CC2 62a_100000756562_100000686858 [1,0,0,0,0,1|2,0,0]=4 605 B13R2.527 Cc1ccc(nc1)CNC2CC2 34a_100000212008_100000691093 [1,0,0,0,0,1|2,0,0]=4 606 B13R2.527 Cc1ccc(nc1)CNC2CC2 34a_100015187455_100000211595 [1,0,0,0,0,1|2,0,0]=4 607 B13R2.527 Cc1ccc(nc1)COC2CC2 34a_100012001401_100000211595 [1,0,0,0,0,1|2,0,0]=4 608 B13R2.527 Cc1ccc(nc1)CSC2CC2 62a_100000691093_100000211595 [1,0,0,0,0,1|2,0,0]=4 609 B13R2.527 Cc1ccc(nc1)OCC2CC2 34a_100000759353_100000742324 [1,0,0,0,0,1|2,0,0]=4 610 B13R2.527 Cc1ccc(nc1)SCC2CC2 62a_100000756562_100000754016 [1,0,0,0,0,1|2,0,0]=4 611 B13R2.527 Cc1ccc(nc1)SCC2CC2 62a_100011192072_100000742324 [1,0,0,0,0,1|2,0,0]=4 612 B13R2.527 Cc1ccc(nn1)NCC2CC2 27a_100000735609_100000744512 [1,0,0,0,0,1|1,0,1]=4 613 B13R2.527 Cc1ccc(nn1)SCC2CC2 62a_100000744512_100000742324 [1,0,0,0,0,1|1,0,1]=4 614 B13R2.527 Cc1ccc(nn1)SCC2CC2 62a_100000756562_100000744512 [1,0,0,0,0,1|1,0,1]=4 615 B13R2.527 Clc1ccc(nc1)CNC2CC2 34a_100000212008_100012066911 [1,0,0,0,0,1|2,0,0]=4 616 B13R2.527 Clc1ccc(nc1)CNC2CC2 34a_100000697193_100000211595 [1,0,0,0,0,1|2,0,0]=4 617 B13R2.527 Clc1ccc(nc1)COC2CC2 34a_100000703999_100000211595 [1,0,0,0,0,1|2,0,0]=4 618 B13R2.527 Clc1ccc(nc1)CSC2CC2 62a_100012066911_100000211595 [1,0,0,0,0,1|2,0,0]=4 619 B13R2.527 Clc1ccc(nc1)OCC2CC2 34a_100011215309_100000742324 [1,0,0,0,0,1|2,0,0]=4 620 B13R2.527 Clc1ccc(nc1)SCC2CC2 62a_100000756562_100011356976 [1,0,0,0,0,1|2,0,0]=4 621 B13R2.527 Clc1ccc(nc1)SCC2CC2 62a_100011356976_100000742324 [1,0,0,0,0,1|2,0,0]=4 622 B13R2.527 Clc1ccc(nn1)CNC2CC2 34a_100000212008_100016992710 [1,0,0,0,0,1|1,0,1]=4 623 B13R2.527 Clc1ccc(nn1)CSC2CC2 62a_100016992710_100000211595 [1,0,0,0,0,1|1,0,1]=4 624 B13R2.527 Clc1ccc(nn1)SCC2CC2 62a_100000068654_100000742324 [1,0,0,0,0,1|1,0,1]=4 625 B13R2.527 Clc1ccc(nn1)SCC2CC2 62a_100000756562_100000068654 [1,0,0,0,0,1|1,0,1]=4 626 B13R2.527 Fc1ccc(nc1)CNC2CC2 34a_100000212008_100000703193 [1,0,0,0,0,1|2,0,0]=4 627 B13R2.527 Fc1ccc(nc1)CNC2CC2 34a_100020620131_100000211595 [1,0,0,0,0,1|2,0,0]=4 628 B13R2.527 Fc1ccc(nc1)COC2CC2 34a_100011999454_100000211595 [1,0,0,0,0,1|2,0,0]=4 629 B13R2.527 Fc1ccc(nc1)CSC2CC2 62a_100000703193_100000211595 [1,0,0,0,0,1|2,0,0]=4 630 B13R2.527 Fc1ccc(nc1)OCC2CC2 34a_100000742473_100000742324 [1,0,0,0,0,1|2,0,0]=4 631 B13R2.527 Fc1ccc(nc1)SCC2CC2 62a_100000744514_100000742324 [1,0,0,0,0,1|2,0,0]=4 632 B13R2.527 Fc1ccc(nc1)SCC2CC2 62a_100000756562_100000744514 [1,0,0,0,0,1|2,0,0]=4 633 B13R2.527 Nc1ccc(nc1)COC2CC2 34a_100011998161_100000211595 [1,0,0,0,0,1|2,0,0]=4 634 B13R2.527 Nc1ccc(nc1)OCC2CC2 34a_100000729260_100000742324 [1,0,0,0,0,1|2,0,0]=4 635 B13R2.527 Nc1ccc(nc1)SCC2CC2 62a_100000737798_100000742324 [1,0,0,0,0,1|2,0,0]=4 636 B13R2.527 Nc1ccc(nc1)SCC2CC2 62a_100000756562_100000737798 [1,0,0,0,0,1|2,0,0]=4 637 B13R2.527 Nc1ccc(nn1)SCC2CC2 62a_100000756562_100010219413 [1,0,0,0,0,1|1,0,1]=4 638 B13R2.527 Nc1ccc(nn1)SCC2CC2 62a_100010219413_100000742324 [1,0,0,0,0,1|1,0,1]=4 639 B13R2.527 O=c1ccc(c[nH]1)C#CC2CC2 271570a_200009880635_100000212171 [1,0,0,0,0,1|1,0,1]=4 640 B13R2.527 O=c1ccc(c[nH]1)C=CC2CC2 271570a_100102526188_100000212171 [1,0,0,0,0,1|1,0,1]=4 641 B13R2.527 O=c1ccc(c[nH]1)COC2CC2 34a_100011999846_100000211595 [1,0,0,0,0,1|1,0,0]=3 642 B13R2.527 O=c1ccc(c[nH]1)OCC2CC2 34a_100000075641_100000742324 [1,0,0,0,0,1|1,0,0]=3 643 B13R2.527 O=c1ccc(c[nH]1)OCC2CO2 34a_100000075641_102125554688 [1,0,0,0,0,1|2,0,0]=4 644 B13R2.527 O=c1ccc(c[nH]1)SCC2CC2 62a_100000212171_100000742324 [1,0,0,0,0,1|1,0,0]=3 645 B13R2.527 O=c1ccc(c[nH]1)SCC2CC2 62a_100000756562_100000212171 [1,0,0,0,0,1|1,0,0]=3 646 B13R2.527 O=c1ccc(c[nH]1)SCC2CO2 62a_100000212171_102125554688 [1,0,0,0,0,1|2,0,0]=4 647 B13R2.527 O=c1ccc(c[nH]1)SCC2CO2 62a_102125554688_100000212171 [1,0,0,0,0,1|2,0,0]=4 648 B13R2.527 O=c1ccc(c[nH]1)SCC2CS2 62a_100000031435_100000212171 [1,0,0,0,0,1|2,0,0]=4 649 B13R2.527 O=c1ccc(c[nH]1)SCC2CS2 62a_100000212171_100000031435 [1,0,0,0,0,1|2,0,0]=4 650 B13R2.527 O=c1ccc(c[nH]1)SC[C@@H]2CO2 62a_100000212171_100000745022 [1,0,0,0,0,1|2,0,0]=4 651 B13R2.527 O=c1ccc(c[nH]1)SC[C@@H]2CO2 62a_100000745022_100000212171 [1,0,0,0,0,1|2,0,0]=4 652 B13R2.527 O=c1ccc(n[nH]1)C#CC2CC2 271570a_200009880635_100009820020 [1,0,0,0,0,1|0,0,1]=3 653 B13R2.527 O=c1ccc(n[nH]1)C=CC2CC2 271570a_100102526188_100009820020 [1,0,0,0,0,1|0,0,1]=3 654 B13R2.527 O=c1ccc(n[nH]1)SCC2CC2 62a_100000756562_100009820020 [1,0,0,0,0,1|0,0,0]=2 655 B13R2.527 O=c1ccc(n[nH]1)SCC2CC2 62a_100009820020_100000742324 [1,0,0,0,0,1|0,0,0]=2 656 B13R2.527 O=c1ccc(n[nH]1)SCC2CO2 62a_100009820020_102125554688 [1,0,0,0,0,1|1,0,0]=3 657 B13R2.527 O=c1ccc(n[nH]1)SCC2CO2 62a_102125554688_100009820020 [1,0,0,0,0,1|1,0,0]=3 658 B13R2.527 O=c1ccc(n[nH]1)SCC2CS2 62a_100000031435_100009820020 [1,0,0,0,0,1|1,0,0]=3 659 B13R2.527 O=c1ccc(n[nH]1)SCC2CS2 62a_100009820020_100000031435 [1,0,0,0,0,1|1,0,0]=3 660 B13R2.527 O=c1ccc(n[nH]1)SC[C@@H]2CO2 62a_100000745022_100009820020 [1,0,0,0,0,1|1,0,0]=3 661 B13R2.527 O=c1ccc(n[nH]1)SC[C@@H]2CO2 62a_100009820020_100000745022 [1,0,0,0,0,1|1,0,0]=3 662 B13R2.527 O=c1ncc(c[nH]1)SCC2CC2 62a_100000756562_102495366499 [1,0,0,0,0,1|2,0,0]=4 663 B13R2.527 O=c1ncc(c[nH]1)SCC2CC2 62a_102495366499_100000742324 [1,0,0,0,0,1|2,0,0]=4 664 B13R2.527 Oc1ccc(nc1)OCC2CC2 271570a_203496583355_100011465590 [1,0,0,0,0,1|1,0,1]=4 665 B13R2.527 Oc1ccc(nc1)SCC2CC2 62a_100000685995_100000742324 [1,0,0,0,0,1|1,0,1]=4 666 B13R2.527 Oc1ccc(nc1)SCC2CC2 62a_100000756562_100000744096 [1,0,0,0,0,1|1,0,1]=4 667 B13R2.1069 O=c1ccc(c[nH]1)OC2CCC2 34a_100000075641_100000749161 [1,0,0,0,0,1|2,0,0]=4 668 B13R2.1069 O=c1ccc(c[nH]1)OC2COC2 34a_100000075641_100009818527 [1,0,0,0,0,1|2,0,0]=4 669 B13R2.1069 O=c1ccc(c[nH]1)SC2CCC2 62a_100000212171_100000749161 [1,0,0,0,0,1|2,0,0]=4 670 B13R2.1069 O=c1ccc(c[nH]1)SC2COC2 62a_100000212171_100009818527 [1,0,0,0,0,1|2,0,0]=4 671 B13R2.1069 O=c1ccc(n[nH]1)SC2CCC2 62a_100009820020_100000749161 [1,0,0,0,0,1|1,0,0]=3 672 B13R2.1069 O=c1ccc(n[nH]1)SC2COC2 62a_100009820020_100009818527 [1,0,0,0,0,1|1,0,0]=3 673 B13R2.5331 Brc1ccnc(c1)CNC2CC2 34a_100000212008_100010173614 [1,0,0,0,0,1|2,0,0]=4 674 B13R2.5331 Brc1ccnc(c1)CSC2CC2 62a_100010173614_100000211595 [1,0,0,0,0,1|2,0,0]=4 675 B13R2.5331 Cc1ccnc(c1)CNC2CC2 34a_100000212008_100000718516 [1,0,0,0,0,1|2,0,0]=4 676 B13R2.5331 Cc1ccnc(c1)COC2CC2 34a_100011998357_100000211595 [1,0,0,0,0,1|2,0,0]=4 677 B13R2.5331 Cc1ccnc(c1)CSC2CC2 62a_100000718516_100000211595 [1,0,0,0,0,1|2,0,0]=4 678 B13R2.5331 Cc1ccnc(c1)SCC2CC2 62a_100000750283_100000742324 [1,0,0,0,0,1|2,0,0]=4 679 B13R2.5331 Cc1ccnc(c1)SCC2CC2 62a_100000756562_100000750283 [1,0,0,0,0,1|2,0,0]=4 680 B13R2.5331 Cc1cnnc(c1)COC2CC2 34a_100016212594_100000211595 [1,0,0,0,0,1|1,0,1]=4 681 B13R2.5331 Cc1cnnc(c1)NCC2CC2 27a_100000735609_100000070100 [1,0,0,0,0,1|1,0,1]=4 682 B13R2.5331 Cc1cnnc(c1)OCC2CC2 34a_100000766097_100000742324 [1,0,0,0,0,1|1,0,1]=4 683 B13R2.5331 Cc1cnnc(c1)SCC2CC2 62a_100000070100_100000742324 [1,0,0,0,0,1|1,0,1]=4 684 B13R2.5331 Cc1cnnc(c1)SCC2CC2 62a_100000756562_100000070100 [1,0,0,0,0,1|1,0,1]=4 685 B13R2.5331 Clc1ccnc(c1)CNC2CC2 34a_100000212008_100016988179 [1,0,0,0,0,1|2,0,0]=4 686 B13R2.5331 Clc1ccnc(c1)COC2CC2 34a_100000748867_100000211595 [1,0,0,0,0,1|2,0,0]=4 687 B13R2.5331 Clc1ccnc(c1)CSC2CC2 62a_100016988179_100000211595 [1,0,0,0,0,1|2,0,0]=4 688 B13R2.5331 Clc1ccnc(c1)SCC2CC2 62a_100000756562_100010167805 [1,0,0,0,0,1|2,0,0]=4 689 B13R2.5331 Clc1ccnc(c1)SCC2CC2 62a_100010167805_100000742324 [1,0,0,0,0,1|2,0,0]=4 690 B13R2.5331 Fc1ccnc(c1)NCC2CC2 27a_100000735609_100000764206 [1,0,0,0,0,1|2,0,0]=4 691 B13R2.5331 Fc1ccnc(c1)SCC2CC2 62a_100000756562_100000764206 [1,0,0,0,0,1|2,0,0]=4 692 B13R2.5331 Fc1ccnc(c1)SCC2CC2 62a_100000764206_100000742324 [1,0,0,0,0,1|2,0,0]=4 693 B13R2.5331 Nc1ccnc(c1)COC2CC2 34a_100000692640_100000211595 [1,0,0,0,0,1|2,0,0]=4 694 B13R2.5331 Nc1ccnc(c1)SCC2CC2 62a_100000756562_100009814236 [1,0,0,0,0,1|2,0,0]=4 695 B13R2.5331 Nc1ccnc(c1)SCC2CC2 62a_100009814236_100000742324 [1,0,0,0,0,1|2,0,0]=4 696 B13R2.5331 Nc1cnnc(c1)SCC2CC2 62a_100000756562_100011996757 [1,0,0,0,0,1|1,0,1]=4 697 B13R2.5331 Nc1cnnc(c1)SCC2CC2 62a_100011996757_100000742324 [1,0,0,0,0,1|1,0,1]=4 698 B13R2.5331 Oc1cc(ncn1)NCC2CC2 27a_100000735609_100000765262 [1,0,0,0,0,1|2,0,0]=4 699 B13R2.5331 Oc1cc(ncn1)SCC2CC2 62a_100000756562_100000765262 [1,0,0,0,0,1|2,0,0]=4 700 B13R2.5331 Oc1cccc(c1)CNC2CC2 271570a_203496583355_100000745908 [1,0,0,0,0,1|2,0,0]=4 701 B13R2.5331 Oc1cccc(c1)CNC2CC2 34a_100000212008_100011660834 [1,0,0,0,0,1|2,0,0]=4 702 B13R2.5331 Oc1cccc(c1)CNC2CC2 34a_100000743036_100000211595 [1,0,0,0,0,1|2,0,0]=4 703 B13R2.5331 Oc1cccc(c1)CSC2CC2 62a_100011660834_100000211595 [1,0,0,0,0,1|2,0,0]=4 704 B13R2.5331 Oc1cccc(c1)NCC2CC2 34a_100000210217_100000742324 [1,0,0,0,0,1|2,0,0]=4 705 B13R2.5331 Oc1cccc(c1)OCC2CC2 271570a_203496583355_100011316337 [1,0,0,0,0,1|2,0,0]=4 706 B13R2.5331 Oc1cccc(c1)SCC2CC2 271570a_203496583355_200010212085 [1,0,0,0,0,1|2,0,0]=4 707 B13R2.5331 Oc1cccc(c1)SCC2CC2 62a_100000756562_100000211634 [1,0,0,0,0,1|2,0,0]=4 708 B13R2.5331 Oc1ccnc(c1)C#CC2CC2 271570a_200009880635_100000762945 [1,0,0,0,0,1|1,0,1]=4 709 B13R2.5331 Oc1ccnc(c1)C=CC2CC2 271570a_100102526188_100000762945 [1,0,0,0,0,1|1,0,1]=4 710 B13R2.5331 Oc1ccnc(c1)SCC2CC2 62a_100000756562_100000762945 [1,0,0,0,0,1|1,0,0]=3 711 B13R2.5331 Oc1ccnc(c1)SCC2CO2 62a_102125554688_100000762945 [1,0,0,0,0,1|2,0,0]=4 712 B13R2.5331 Oc1ccnc(c1)SCC2CS2 62a_100000031435_100000762945 [1,0,0,0,0,1|2,0,0]=4 713 B13R2.5331 Oc1ccnc(c1)SC[C@@H]2CO2 62a_100000745022_100000762945 [1,0,0,0,0,1|2,0,0]=4 714 B13R2.5331 Oc1ccnc(n1)NCC2CC2 27a_100000735609_100011649813 [1,0,0,0,0,1|2,0,0]=4 715 B13R2.5331 Oc1ccnc(n1)SCC2CC2 62a_100000756562_100011649813 [1,0,0,0,0,1|2,0,0]=4 716 B13R2.5331 Oc1cncc(c1)SCC2CC2 62a_100000754920_100000742324 [1,0,0,0,0,1|1,0,1]=4 717 B13R2.5331 Oc1cncc(c1)SCC2CC2 62a_100000756562_100000754920 [1,0,0,0,0,1|1,0,1]=4 718 B13R2.5331 Oc1cnnc(c1)C#CC2CC2 271570a_200009880635_200010734679 [1,0,0,0,0,1|0,0,2]=4 719 B13R2.5331 Oc1cnnc(c1)C=CC2CC2 271570a_100102526188_200010734679 [1,0,0,0,0,1|0,0,2]=4 720 B13R2.5331 Oc1cnnc(c1)SCC2CC2 62a_100000756562_200010734679 [1,0,0,0,0,1|0,0,1]=3 721 B13R2.5331 Oc1cnnc(c1)SCC2CO2 62a_102125554688_200010734679 [1,0,0,0,0,1|1,0,1]=4 722 B13R2.5331 Oc1cnnc(c1)SCC2CS2 62a_100000031435_200010734679 [1,0,0,0,0,1|1,0,1]=4 723 B13R2.5331 Oc1cnnc(c1)SC[C@@H]2CO2 62a_100000745022_200010734679 [1,0,0,0,0,1|1,0,1]=4 724 B15R2.18906 Cc1cc(n[nH]c1=O)SCCC2CC2 62a_100000764125_100012187101 [0,0,0,0,0,2|1,0,0]=3 725 B15R2.18906 Cc1cc(n[nH]c1=O)SCCC2CO2 62a_100000732470_100012187101 [0,0,0,0,0,2|2,0,0]=4 726 B15R2.18906 Cc1cnc(cc1O)SCCC2CC2 62a_100000704368_100000764125 [0,0,0,0,0,2|2,0,0]=4 727 B15R2.18906 Cc1cnc(cc1O)SCCC2CC2 62a_100000764125_100000704368 [0,0,0,0,0,2|2,0,0]=4 728 B15R2.18906 Nc1cc(n[nH]c1=O)SCCC2CC2 62a_100000764125_100000102183 [0,0,0,0,0,2|1,0,0]=3 729 B15R2.18906 Nc1cc(n[nH]c1=O)SCCC2CO2 62a_100000732470_100000102183 [0,0,0,0,0,2|2,0,0]=4 730 B15R2.18906 O=c1[nH]cc(cc1Br)SCCC2CC2 62a_100000764125_100010125443 [0,0,0,0,0,2|2,0,0]=4 731 B15R2.18906 O=c1[nH]cc(cc1Br)SCCC2CC2 62a_100010125443_100000764125 [0,0,0,0,0,2|2,0,0]=4 732 B15R2.18906 O=c1[nH]cc(cc1Cl)CNCC2CC2 207a_100000735609_100000051075 [0,0,0,0,0,2|2,0,0]=4 733 B15R2.18906 O=c1[nH]cc(cc1Cl)CNCC2CC2 270004a_100000735609_100000051075 [0,0,0,0,0,2|2,0,0]=4 734 B15R2.18906 O=c1[nH]cc(cc1F)SCCC2CC2 62a_100000723523_100000764125 [0,0,0,0,0,2|2,0,0]=4 735 B15R2.18906 O=c1[nH]cc(cc1F)SCCC2CC2 62a_100000764125_100000723523 [0,0,0,0,0,2|2,0,0]=4 736 B15R2.18906 O=c1[nH]cc(cc1O)SCCC2CC2 62a_100000764125_100009814561 [0,0,0,0,0,2|1,0,0]=3 737 B15R2.18906 O=c1[nH]cc(cc1O)SCCC2CO2 62a_100000732470_100009814561 [0,0,0,0,0,2|2,0,0]=4 738 B15R2.18906 Oc1cc(ncc1F)SCCC2CC2 62a_100000764125_100009854642 [0,0,0,0,0,2|2,0,0]=4 739 B15R2.18906 Oc1cc(ncc1F)SCCC2CC2 62a_100009854642_100000764125 [0,0,0,0,0,2|2,0,0]=4 740 B15R2.18973 Cc1cc(n[nH]c1=O)SCC2CCC2 62a_100000763275_100012187101 [0,0,0,0,0,2|1,0,0]=3 741 B15R2.18973 Cc1cc(n[nH]c1=O)SCC2CCO2 62a_100000103362_100012187101 [0,0,0,0,0,2|1,0,0]=3 742 B15R2.18973 Cc1cc(n[nH]c1=O)SCC2COC2 62a_100010264016_100012187101 [0,0,0,0,0,2|1,0,0]=3 743 B15R2.18973 Cc1cnc(cc1O)SCC2CCC2 62a_100000704368_100000763275 [0,0,0,0,0,2|2,0,0]=4 744 B15R2.18973 Cc1cnc(cc1O)SCC2CCC2 62a_100000763275_100000704368 [0,0,0,0,0,2|2,0,0]=4 745 B15R2.18973 Cc1cnc(cc1O)SCC2CCO2 62a_100000103362_100000704368 [0,0,0,0,0,2|2,0,0]=4 746 B15R2.18973 Cc1cnc(cc1O)SCC2CCO2 62a_100000704368_100000103362 [0,0,0,0,0,2|2,0,0]=4 747 B15R2.18973 Cc1cnc(cc1O)SCC2COC2 62a_100000704368_100010264016 [0,0,0,0,0,2|2,0,0]=4 748 B15R2.18973 Cc1cnc(cc1O)SCC2COC2 62a_100010264016_100000704368 [0,0,0,0,0,2|2,0,0]=4 749 B15R2.18973 Nc1cc(n[nH]c1=O)SCC2CCC2 62a_100000763275_100000102183 [0,0,0,0,0,2|1,0,0]=3 750 B15R2.18973 Nc1cc(n[nH]c1=O)SCC2CCO2 62a_100000103362_100000102183 [0,0,0,0,0,2|1,0,0]=3 751 B15R2.18973 Nc1cc(n[nH]c1=O)SCC2COC2 62a_100010264016_100000102183 [0,0,0,0,0,2|1,0,0]=3 752 B15R2.18973 O=c1[nH]cc(cc1Br)SCC2CCC2 62a_100000763275_100010125443 [0,0,0,0,0,2|2,0,0]=4 753 B15R2.18973 O=c1[nH]cc(cc1Br)SCC2CCC2 62a_100010125443_100000763275 [0,0,0,0,0,2|2,0,0]=4 754 B15R2.18973 O=c1[nH]cc(cc1Br)SCC2CCO2 62a_100000103362_100010125443 [0,0,0,0,0,2|2,0,0]=4 755 B15R2.18973 O=c1[nH]cc(cc1Br)SCC2CCO2 62a_100010125443_100000103362 [0,0,0,0,0,2|2,0,0]=4 756 B15R2.18973 O=c1[nH]cc(cc1Br)SCC2COC2 62a_100010125443_100010264016 [0,0,0,0,0,2|2,0,0]=4 757 B15R2.18973 O=c1[nH]cc(cc1Br)SCC2COC2 62a_100010264016_100010125443 [0,0,0,0,0,2|2,0,0]=4 758 B15R2.18973 O=c1[nH]cc(cc1Cl)CNC2COC2 207a_100016991112_100000051075 [0,0,0,0,0,2|2,0,0]=4 759 B15R2.18973 O=c1[nH]cc(cc1Cl)CNC2COC2 270004a_100016991112_100000051075 [0,0,0,0,0,2|2,0,0]=4 760 B15R2.18973 O=c1[nH]cc(cc1Cl)CNC2CSC2 207a_100016994217_100000051075 [0,0,0,0,0,2|2,0,0]=4 761 B15R2.18973 O=c1[nH]cc(cc1Cl)CNC2CSC2 270004a_100016994217_100000051075 [0,0,0,0,0,2|2,0,0]=4 762 B15R2.18973 O=c1[nH]cc(cc1F)SCC2CCC2 62a_100000723523_100000763275 [0,0,0,0,0,2|2,0,0]=4 763 B15R2.18973 O=c1[nH]cc(cc1F)SCC2CCC2 62a_100000763275_100000723523 [0,0,0,0,0,2|2,0,0]=4 764 B15R2.18973 O=c1[nH]cc(cc1F)SCC2CCO2 62a_100000103362_100000723523 [0,0,0,0,0,2|2,0,0]=4 765 B15R2.18973 O=c1[nH]cc(cc1F)SCC2CCO2 62a_100000723523_100000103362 [0,0,0,0,0,2|2,0,0]=4 766 B15R2.18973 O=c1[nH]cc(cc1F)SCC2COC2 62a_100000723523_100010264016 [0,0,0,0,0,2|2,0,0]=4 767 B15R2.18973 O=c1[nH]cc(cc1F)SCC2COC2 62a_100010264016_100000723523 [0,0,0,0,0,2|2,0,0]=4 768 B15R2.18973 O=c1[nH]cc(cc1O)SCC2CCC2 62a_100000763275_100009814561 [0,0,0,0,0,2|1,0,0]=3 769 B15R2.18973 O=c1[nH]cc(cc1O)SCC2CCO2 62a_100000103362_100009814561 [0,0,0,0,0,2|1,0,0]=3 770 B15R2.18973 O=c1[nH]cc(cc1O)SCC2COC2 62a_100010264016_100009814561 [0,0,0,0,0,2|1,0,0]=3 771 B15R2.18973 Oc1cc(ncc1F)SCC2CCC2 62a_100000763275_100009854642 [0,0,0,0,0,2|2,0,0]=4 772 B15R2.18973 Oc1cc(ncc1F)SCC2CCC2 62a_100009854642_100000763275 [0,0,0,0,0,2|2,0,0]=4 773 B15R2.18973 Oc1cc(ncc1F)SCC2CCO2 62a_100000103362_100009854642 [0,0,0,0,0,2|2,0,0]=4 774 B15R2.18973 Oc1cc(ncc1F)SCC2CCO2 62a_100009854642_100000103362 [0,0,0,0,0,2|2,0,0]=4 775 B15R2.18973 Oc1cc(ncc1F)SCC2COC2 62a_100009854642_100010264016 [0,0,0,0,0,2|2,0,0]=4 776 B15R2.18973 Oc1cc(ncc1F)SCC2COC2 62a_100010264016_100009854642 [0,0,0,0,0,2|2,0,0]=4 777 B15R2.92 Cc1cc(n[nH]c1=O)SC2CCCC2 62a_100011217020_100012187101 [0,0,0,0,0,2|2,0,0]=4 778 B15R2.92 Nc1cc(n[nH]c1=O)SC2CCCC2 62a_100011217020_100000102183 [0,0,0,0,0,2|2,0,0]=4 779 B15R2.92 O=c1[nH]cc(cc1O)SC2CCCC2 62a_100011217020_100009814561 [0,0,0,0,0,2|2,0,0]=4