0 B11R1.28 BrCCCCC1=CC=CC=C1 SC-13820 [1,0,0,0,0,0|2,0,1]=4 1 B11R1.28 NNCCCC1=CC=CC=C1 SC-45618 [1,0,0,0,0,0|3,0,0]=4 2 B11R1.28 O=CCCCC1=CC=CC=C1 SC-59796 [1,0,0,0,0,0|1,0,0]=2 3 B11R1.28 O=CCOCC1=CC=CC=C1 SC-47403 [1,0,0,0,0,0|2,0,0]=3 4 B11R1.28 OCCCCC1=CC=CC=C1 SC-03572 [1,0,0,0,0,0|1,0,2]=4 5 B11R1.28 S=C=NCCC1=CC=CC=C1 SC-75540 [1,0,0,0,0,0|0,1,2]=4 6 B11R1.40 N#CC(O)CC1=CC=CC=C1 SC-91036 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.40 NC(CO)CC1=CC=CC=C1 SC-22471 [1,0,0,0,0,0|1,0,2]=4 8 B11R1.40 NCC(O)CC1=CC=CC=C1 SC-33921 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 SC-05056 [1,0,0,0,0,0|1,0,2]=4 10 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 SC-03394 [1,0,0,0,0,0|1,0,2]=4 11 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 SC-46101 [0,1,0,0,0,0|2,0,0]=3 12 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 SC-48872 [0,1,0,0,0,0|2,0,0]=3 13 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 SC-77068 [0,1,0,0,0,0|2,0,0]=3 14 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CC=C1 SC-46102 [0,1,0,0,0,0|2,0,0]=3 15 B13R2.64 C1=CC=C(CC2CCCN2)C=C1 SC-78431 [0,0,0,1,0,0|1,0,1]=3 16 B13R2.64 C1=CC=C(CN2CC=CC2)C=C1 SC-91685 [0,0,0,1,0,0|3,0,0]=4 17 B13R2.135 CC1=C(C=O)C2=C(C=CC=C2)N1 SC-76858 [0,0,0,1,0,0|2,0,1]=4 18 B13R2.328 O=C1NC(=O)C2=CC=CC=C2O1 SC-73365 [0,0,0,1,0,0|2,0,1]=4 19 B13R1.42 C=CNC(=O)OCC1=CC=CC=C1 SC-99790 [0,0,0,0,0,1|2,0,1]=4 20 B10R1.17 C=CCSC1=CC=CC=C1 SC-A2865 [2,0,0,0,0,0|2,0,0]=4 21 B10R1.17 CCNCC1=CC=CC=C1 SC-18916 [2,0,0,0,0,0|1,0,1]=4 22 B10R1.17 CNCCC1=NC=CC=C1 SC-17881 [2,0,0,0,0,0|1,0,1]=4 23 B10R1.17 CNCCC1=NC=CC=C1 SC-46500 [2,0,0,0,0,0|1,0,1]=4 24 B10R1.17 ICCCC1=CC=CC=C1 SC-54412 [2,0,0,0,0,0|1,0,1]=4 25 B10R1.17 NOCCC1=CC=CC=C1 SC-99889 [2,0,0,0,0,0|2,0,0]=4 26 B10R1.17 O=C=NCC1=CC=CC=C1 SC-27328 [2,0,0,0,0,0|0,0,2]=4 27 B10R1.17 O=CCCC1=CC=CC=C1 SC-79262 [2,0,0,0,0,0|0,0,0]=2 28 B10R1.17 O=CCCC1=CN=CC=C1 SC-14308 [2,0,0,0,0,0|1,0,0]=3 29 B10R1.17 O=C\C=C\C1=CC=CC=C1 SC-19143 [2,0,0,0,0,0|0,0,2]=4 30 B10R1.17 OCCCC1=CC=CC=C1 SC-26828 [2,0,0,0,0,0|0,0,2]=4 31 B10R1.17 [C-]#[N+]CCC1=CC=CC=C1 SC-51184 [2,0,0,0,0,0|0,0,2]=4 32 B10R1.18 CC(=O)CC1=NC=CC=C1 SC-85146 [2,0,0,0,0,0|1,0,1]=4 33 B10R1.18 N=C(N)CC1=CC=CC=C1 SC-12266 [2,0,0,0,0,0|1,0,1]=4 34 B10R1.18 N=C(N)CC1=CC=CC=C1 SC-17307 [2,0,0,0,0,0|1,0,1]=4 35 B12R1.8 O=CCCOCC1=CC=CC=C1 SC-33984 [1,1,0,0,0,0|1,0,0]=3 36 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 SC-71520 [1,1,0,0,0,0|1,0,0]=3 37 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 SC-20864 [1,1,0,0,0,0|2,0,0]=4 38 B12R1.252 O=C(O)CCCC1=CC=CC=C1 SC-22740 [1,1,0,0,0,0|1,0,0]=3 39 B12R1.252 O=C(O)CNCC1=CC=CC=C1 SC-24828 [1,1,0,0,0,0|2,0,0]=4 40 B12R1.252 O=C(O)COCC1=CC=CC=C1 SC-11831 [1,1,0,0,0,0|2,0,0]=4 41 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 SC-09787 [1,1,0,0,0,0|1,0,0]=3 42 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O SC-01259 [1,1,0,0,0,0|1,0,0]=3 43 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O SC-09766 [1,1,0,0,0,0|1,0,0]=3 44 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O SC-09765 [1,1,0,0,0,0|1,0,0]=3 45 B12R1.43 N[C@H](CC1=NC=CC=C1)C(=O)O SC-03978 [1,1,0,0,0,0|2,0,0]=4 46 B12R1.43 O=C(O)C(Br)CC1=CC=CC=C1 SC-45736 [1,1,0,0,0,0|1,0,0]=3 47 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 SC-96045 [1,1,0,0,0,0|1,0,0]=3 48 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 SC-02277 [1,1,0,0,0,0|1,0,0]=3 49 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 SC-06556 [1,1,0,0,0,0|1,0,0]=3 50 B12R1.43 [C@H](N)(CC1=CC=NC=C1)C(=O)O SC-19508 [1,1,0,0,0,0|2,0,0]=4 51 B12R1.39 CC(C)(CC=O)C1=CC=CC=C1 SC-17408 [0,1,0,0,1,0|1,0,0]=3 52 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 SC-A2836 [0,1,0,0,1,0|1,0,0]=3 53 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 SC-45519 [0,1,0,0,1,0|2,0,0]=4 54 B14R1.818 CC(=O)OC(C)CCC1=CC=CC=C1 SC-94020 [0,1,0,0,0,1|1,0,0]=3 55 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(Br)C=C1 SC-A1251 [0,2,0,0,0,0|2,0,0]=4 56 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(Cl)C=C1 SC-A1225 [0,2,0,0,0,0|2,0,0]=4 57 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(F)C=C1 SC-A1237 [0,2,0,0,0,0|2,0,0]=4 58 B14R1.698 N[C@H](CC(=O)O)CC1=CC=C(Cl)C=C1 SC-A1224 [0,2,0,0,0,0|2,0,0]=4 59 B14R1.5978 N[C@@H](CC(=O)O)CC1=CC=CC(F)=C1 SC-A1235 [0,2,0,0,0,0|2,0,0]=4 60 B14R1.337 N[C@@H](CC(=O)O)CC1=CC=CC=C1F SC-A1230 [0,2,0,0,0,0|2,0,0]=4 61 B14R1.337 N[C@H](CC(=O)O)CC1=CC=CC=C1Br SC-A1239 [0,2,0,0,0,0|2,0,0]=4 62 B12R2.2 C1=CC=C(C2CCNC2)C=C1 SC-36240 [1,0,0,1,0,0|1,0,1]=4 63 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 SC-21775 [1,0,0,1,0,0|1,0,1]=4 64 B12R2.23 O=C1CCN1C2=CC=CC=C2 SC-45405 [1,0,0,1,0,0|2,0,0]=4 65 B12R2.41 C1=CC=C2CCCC=CC2=C1 SC-85750 [1,0,0,1,0,0|2,0,0]=4 66 B12R2.1081 C=C1CCCC2=CC=CC=C12 SC-45518 [1,0,0,1,0,0|2,0,0]=4 67 B12R2.1081 CC1=CCCC2=C1C=CC=C2 SC-88953 [1,0,0,1,0,0|2,0,0]=4 68 B12R2.1081 CC1NCCC2=C1C=CC=C2 SC-53616 [1,0,0,1,0,0|1,0,1]=4 69 B12R2.1081 O=C1CCCC2=C1C=CC=C2 SC-25802 [1,0,0,1,0,0|1,0,0]=3 70 B12R2.1081 O=C1CCCC2=C1C=CC=N2 SC-33091 [1,0,0,1,0,0|2,0,0]=4 71 B12R2.1081 O=C1CCCC2=C1C=CN=C2 SC-14614 [1,0,0,1,0,0|2,0,0]=4 72 B12R2.1081 O=C1CCCC2=C1C=CN=C2 SC-70199 [1,0,0,1,0,0|2,0,0]=4 73 B12R2.1081 O=C1CCCC2=C1C=NC=C2 SC-40262 [1,0,0,1,0,0|2,0,0]=4 74 B12R2.1081 O=C1CCCC2=C1C=NC=C2 SC-47535 [1,0,0,1,0,0|2,0,0]=4 75 B12R2.1081 O=C1CCCC2=C1N=CC=C2 SC-11409 [1,0,0,1,0,0|2,0,0]=4 76 B12R2.1081 O=C1CCNC2=C1C=CC=C2 SC-21443 [1,0,0,1,0,0|2,0,0]=4 77 B12R2.1081 O=C1CCNC2=C1C=CC=C2 SC-A3233 [1,0,0,1,0,0|2,0,0]=4 78 B12R2.1081 O=C1CCOC2=CC=CC=C12 SC-04797 [1,0,0,1,0,0|2,0,0]=4 79 B12R2.1081 O=C1COCC2=C1C=CC=C2 SC-27836 [1,0,0,1,0,0|2,0,0]=4 80 B12R2.1081 O=C1NC=CC2=C1C=CC=C2 SC-14557 [1,0,0,1,0,0|0,0,2]=4 81 B12R2.1081 O=C1NC=CC2=CC=CC=C12 SC-04796 [1,0,0,1,0,0|0,0,2]=4 82 B12R2.1081 O=C1NC=NC2=C1C=CC=C2 SC-27191 [1,0,0,1,0,0|1,0,1]=4 83 B12R2.1081 O=C1NCCC2=C1C=CC=C2 SC-25175 [1,0,0,1,0,0|0,0,0]=2 84 B12R2.1081 O=C1NCCC2=C1N=CC=C2 SC-49713 [1,0,0,1,0,0|1,0,0]=3 85 B12R2.32 BrCC1CC2=C(C=CC=C2)C1 SC-61235 [1,0,0,1,0,0|1,0,1]=4 86 B12R2.32 NCC1CC2=C(C=CC=C2)C1 SC-82091 [1,0,0,1,0,0|1,0,1]=4 87 B12R2.32 OCC1CC2=C(C=CC=C2)C1 SC-61230 [1,0,0,1,0,0|0,0,2]=4 88 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 SC-35877 [0,0,0,1,1,0|1,0,0]=3 89 B12R2.2028 NC1CC(=O)C2=CC=CC=C21 SC-30899 [0,0,0,1,1,0|2,0,0]=4 90 B12R2.2028 O=C1NC(=O)C2=CC=CC=C12 SC-13042 [0,0,0,1,1,0|1,0,1]=4 91 B12R2.2028 O=C1OC(Br)C2=C1C=CC=C2 SC-17484 [0,0,0,1,1,0|2,0,0]=4 92 B14R2.436 O=C1CC(OCC2=CC=CC=C2)C1 SC-52127 [0,0,0,1,0,1|1,0,0]=3 93 B14R2.716 ClC1=CC(CC2CCCN2)=CC=C1 SC-A4135 [0,1,0,1,0,0|1,0,1]=4 94 B14R2.6 C1=CC=C(CC2CCCCN2)C=C1 SC-89159 [0,1,0,1,0,0|1,0,1]=4 95 B14R2.6 C1=CC=C(CC2CCCNC2)C=C1 SC-73371 [0,1,0,1,0,0|1,0,1]=4 96 B14R2.19 O=C1CCN(CC2=CC=CC=C2)C1 SC-06753 [0,1,0,1,0,0|2,0,0]=4 97 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 SC-00097 [0,1,0,1,0,0|0,0,0]=2 98 B14R2.19 S=C1N[C@@H](CC2=CC=CC=C2)CS1 SC-17059 [0,1,0,1,0,0|0,1,0]=3 99 B14R2.19 S=C1N[C@H](CC2=CC=CC=C2)CS1 SC-75768 [0,1,0,1,0,0|0,1,0]=3 100 B14R2.19 [C@H]1(CC2=CC=CC=C2)COC(=O)N1 SC-07268 [0,1,0,1,0,0|0,0,0]=2 101 B10R1.15 C=CC(Cl)C1=CC=CC=C1 SC-20635 [1,0,0,0,1,0|2,0,0]=4 102 B10R1.15 C=CC(N)C1=CC=CC=C1 SC-94451 [1,0,0,0,1,0|2,0,0]=4 103 B10R1.15 CC(C#N)C1=CC=CC=C1 SC-15681 [1,0,0,0,1,0|1,0,1]=4 104 B10R1.15 CC(CN)C1=CC=CC=C1 SC-69942 [1,0,0,0,1,0|1,0,1]=4 105 B10R1.15 CC(NN)C1=CC=CC=C1 SC-40338 [1,0,0,0,1,0|1,0,0]=3 106 B10R1.15 CN(C=O)C1=CC=CC=C1 SC-15888 [1,0,0,0,1,0|1,0,0]=3