0 B9R1.35 CC(=O)C1=NC(Br)=CS1 CS-0103680 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.35 CC(C)C1=CN=C(Br)S1 CS-W005707 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.35 CC(C)C1=CSC(N)=N1 CS-0061030 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.35 CC(C)N1C=CC(N)=N1 CS-0052807 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.35 CC(N)C1=CC=C(Br)S1 CS-0106278 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.35 CC(N)C1=NN(C)N=C1 CS-0069173 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.35 CC1=NN=C(C(C)C)N1 CS-0062115 [0,0,0,0,0,0|2,0,1]=3 7 B9R1.35 C[C@H](N)C1=NN(C)C=C1 CS-0089103 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.35 C[C@H](O)C1=CC(Br)=CS1 CS-0053590 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.35 NC1=CSC(C(=O)O)=N1 CS-0112772 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.35 NC1=CSC(C(=O)[O-])=N1 CS-0112773 [0,0,0,0,0,0|3,0,1]=4 11 B8R1.1 CC1=CC=C(CN)S1 CS-0035951 [1,0,0,0,0,0|3,0,0]=4 12 B8R1.1 CC1=CN=C(CO)N1 CS-0053142 [1,0,0,0,0,0|2,0,1]=4 13 B8R1.1 CC1=CSC(C=O)=N1 CS-W011145 [1,0,0,0,0,0|1,0,1]=3 14 B8R1.1 CC1=CSC(CO)=N1 CS-0109629 [1,0,0,0,0,0|1,0,0]=2 15 B8R1.1 CC1=NC(CBr)=NO1 CS-0085090 [1,0,0,0,0,0|3,0,0]=4 16 B8R1.1 CC1=NC(CN)=NO1 CS-0036626 [1,0,0,0,0,0|3,0,0]=4 17 B8R1.1 CC1=NC(CO)=CO1 CS-0061381 [1,0,0,0,0,0|3,0,0]=4 18 B8R1.1 CC1=NOC(CBr)=N1 CS-0085092 [1,0,0,0,0,0|2,1,0]=4 19 B8R1.1 CC1=NOC(CO)=N1 CS-0085088 [1,0,0,0,0,0|2,1,0]=4 20 B8R1.1 CCN1C=CC(Br)=N1 CS-0099971 [1,0,0,0,0,0|3,0,0]=4 21 B8R1.1 CN1C=CC(CCl)=N1 CS-0051708 [1,0,0,0,0,0|3,0,0]=4 22 B8R1.1 CN1C=CC(CN)=N1 CS-0053896 [1,0,0,0,0,0|3,0,0]=4 23 B8R1.1 CN1C=NC(CBr)=N1 CS-0093966 [1,0,0,0,0,0|3,0,0]=4 24 B8R1.1 CN1C=NC(CN)=N1 CS-0053658 [1,0,0,0,0,0|3,0,0]=4 25 B8R1.1 CNC1=NC(C)=NS1 CS-0038197 [1,0,0,0,0,0|2,0,0]=3 26 B8R1.1 CSC1=NC(Br)=CS1 CS-0037488 [1,0,0,0,0,0|2,0,0]=3 27 B8R1.1 N#CC1=NC(Cl)=CS1 CS-0050957 [1,0,0,0,0,0|2,0,1]=4 28 B8R1.1 NCC1=CC(Br)=CS1 CS-0041883 [1,0,0,0,0,0|3,0,0]=4 29 B8R1.1 NCC1=CC(Br)=CS1 CS-0053205 [1,0,0,0,0,0|3,0,0]=4 30 B8R1.1 OCC1=CC(F)=CS1 CS-0087940 [1,0,0,0,0,0|3,0,0]=4 31 B8R1.7 CC(=O)C1=NC=CO1 CS-0103616 [1,0,0,0,0,0|1,1,1]=4 32 B8R1.7 CC(N)C1=NN=CN1 CS-0091425 [1,0,0,0,0,0|3,0,0]=4 33 B8R1.7 CC(N)C1=NNC=C1 CS-0089767 [1,0,0,0,0,0|3,0,0]=4 34 B8R1.7 CC(N)C1=NOC=C1 CS-0091423 [1,0,0,0,0,0|3,0,0]=4 35 B10R1.14 COC(=O)C1=NC(C)=NS1 CS-0036182 [0,1,0,0,0,0|2,0,1]=4 36 B10R1.31 CC(C)C1=CC(CO)=NO1 CS-0085330 [0,1,0,0,0,0|2,1,0]=4 37 B10R1.31 CC(C)C1=NC(C=O)=CS1 CS-0043944 [0,1,0,0,0,0|0,0,1]=2 38 B10R1.31 CC(C)C1=NC(CN)=NO1 CS-0035963 [0,1,0,0,0,0|1,1,0]=3 39 B10R1.31 CC(C)C1=NOC(CN)=C1 CS-0085308 [0,1,0,0,0,0|3,0,0]=4 40 B10R1.31 CC(C)N1C=C(CN)C=N1 CS-0045091 [0,1,0,0,0,0|3,0,0]=4 41 B10R1.55 CC(C)(C)C1=CC(N)=NS1 CS-0050403 [0,1,0,0,0,0|3,0,0]=4 42 B10R1.55 CC1=CC(C(C)(C)C)=NN1 CS-0061280 [0,1,0,0,0,0|3,0,0]=4 43 B10R1.55 CC1=NC(C(C)(C)N)=NO1 CS-0091428 [0,1,0,0,0,0|2,0,0]=3 44 B10R2.14 BrC1=NC(C2CC2)=CS1 CS-0107189 [0,0,0,1,0,0|3,0,0]=4 45 B10R2.14 BrC1=NN(C2CC2)N=C1 CS-0099867 [0,0,0,1,0,0|3,0,0]=4 46 B10R2.14 CC1=CC(C2CC2)=NN1 CS-0061281 [0,0,0,1,0,0|3,0,0]=4 47 B10R2.14 ClC1=NC(C2CC2)=CS1 CS-0099917 [0,0,0,1,0,0|3,0,0]=4 48 B10R1.13 CC(C)C1=CC=C(S)C=C1 CS-0037685 [0,0,0,0,0,1|3,0,0]=4 49 B10R1.13 CC(C)C1=CN=C(Br)C=C1 CS-0102216 [0,0,0,0,0,1|2,0,0]=3 50 B10R1.13 CC(N)C1=NC=C(F)C=C1 CS-0052861 [0,0,0,0,0,1|3,0,0]=4 51 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 CS-0069083 [0,0,0,0,0,1|2,0,0]=3 52 B10R1.13 CC1=NC=C(C(C)C)N=C1 CS-0059950 [0,0,0,0,0,1|1,0,0]=2 53 B10R1.13 CN(C)C1=CC=C(F)C=N1 CS-0089663 [0,0,0,0,0,1|3,0,0]=4 54 B10R1.13 CN(C)C1=CN=C(Br)C=C1 CS-0061713 [0,0,0,0,0,1|3,0,0]=4 55 B10R1.13 CN(C)C1=NC=C(N)C=C1 CS-0090613 [0,0,0,0,0,1|3,0,0]=4 56 B10R1.13 CN(C)C1=NN=C(Br)C=C1 CS-0046210 [0,0,0,0,0,1|3,0,0]=4 57 B10R1.13 C[C@@H](O)C1=NC=C(O)C=N1 CS-0059960 [0,0,0,0,0,1|3,0,0]=4 58 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 CS-0038917 [0,0,0,0,0,1|3,0,0]=4 59 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 CS-0094680 [0,0,0,0,0,1|3,0,0]=4 60 B10R1.113 CC(C)C1=NC=CC(Cl)=N1 CS-0038580 [0,0,0,0,0,1|2,0,0]=3 61 B10R1.113 CC(C)C1=NC=CC(O)=N1 CS-0035880 [0,0,0,0,0,1|2,0,0]=3 62 B10R1.113 CC1=CC=CC([C@H](C)N)=N1 CS-0091472 [0,0,0,0,0,1|2,0,0]=3 63 B10R1.113 CC1=NC([C@@H](C)N)=CC=C1 CS-0091418 [0,0,0,0,0,1|2,0,0]=3 64 B10R1.113 CN(C)C1=NC(I)=CN=C1 CS-0089795 [0,0,0,0,0,1|3,0,0]=4 65 B7R1.1 CCC1=NC=CN1 CS-0111073 [2,0,0,0,0,0|1,0,0]=3 66 B7R1.1 CCC1=NNC=C1 CS-0111769 [2,0,0,0,0,0|2,0,0]=4 67 B7R1.1 CNC1=NC=CO1 CS-0035780 [2,0,0,0,0,0|1,1,0]=4 68 B7R1.1 NCC1=NC=CN1 CS-0037877 [2,0,0,0,0,0|2,0,0]=4 69 B7R1.1 NCC1=NC=CS1 CS-0053668 [2,0,0,0,0,0|1,0,0]=3 70 B7R1.1 OCC1=NC=CN1 CS-0036818 [2,0,0,0,0,0|2,0,0]=4 71 B7R1.2 CC1=COC(Br)=N1 CS-0108731 [2,0,0,0,0,0|1,1,0]=4 72 B7R1.2 CC1=COC(N)=N1 CS-0053949 [2,0,0,0,0,0|1,1,0]=4 73 B7R1.2 CC1=COC(S)=N1 CS-0061363 [2,0,0,0,0,0|1,1,0]=4 74 B7R1.2 CC1=CSC(I)=N1 CS-W007168 [2,0,0,0,0,0|1,0,0]=3 75 B7R1.2 CC1=NC(N)=CS1 CS-0103583 [2,0,0,0,0,0|1,0,0]=3 76 B7R1.2 ClC1=CSC(Br)=N1 CS-0035577 [2,0,0,0,0,0|2,0,0]=4 77 B9R1.7 CC1=NC(CCN)=NO1 CS-0035515 [1,1,0,0,0,0|2,0,0]=4 78 B9R1.7 CCOC1=NC(=O)SS1 CS-0104569 [1,1,0,0,0,0|2,0,0]=4 79 B9R1.21 CCC1=NC(CN)=NO1 CS-0083936 [1,1,0,0,0,0|1,1,0]=4 80 B9R1.21 CCC1=NOC(CO)=N1 CS-0085095 [1,1,0,0,0,0|2,0,0]=4 81 B9R1.22 CCC1=NN(C)C=C1Br CS-0050993 [1,1,0,0,0,0|2,0,0]=4 82 B9R1.23 CCN1C=C(N)C(C)=N1 CS-0052570 [1,1,0,0,0,0|2,0,0]=4 83 B9R1.19 CC(C)(O)C1=NC=CN1 CS-0060974 [1,1,0,0,0,0|1,0,0]=3 84 B9R1.41 CC(C)N1N=CC=C1N CS-0061038 [1,1,0,0,0,0|2,0,0]=4 85 B11R1.19 CC(C)(C)C1=NC=C(O)C=C1 CS-0060885 [0,1,0,0,0,1|2,0,0]=4 86 B11R1.21 CC1=C(N)C=C(C(C)C)C=C1 CS-0038690 [0,1,0,0,0,1|2,0,0]=4 87 B11R1.74 CC(C)C1=NC(Cl)=NC(Cl)=N1 CS-0094573 [0,1,0,0,0,1|2,0,0]=4 88 B11R1.74 CC1=NC(Cl)=NC(N(C)C)=N1 CS-0035598 [0,1,0,0,0,1|2,0,0]=4 89 B11R1.155 CC(C)(C)C1=CC=CC(N)=N1 CS-0094971 [0,1,0,0,0,1|2,0,0]=4 90 B11R1.155 CC(C)(C)C1=NC=CC(Cl)=N1 CS-0036296 [0,1,0,0,0,1|2,0,0]=4 91 B11R1.155 CC(C)(C)C1=NC=CC(N)=N1 CS-0060886 [0,1,0,0,0,1|2,0,0]=4 92 B11R1.167 CC(C)C1=C(O)N=CC(Br)=N1 CS-0037254 [0,1,0,0,0,1|2,0,0]=4 93 B11R1.266 CC(C)C1=NC(C#N)=CC=C1 CS-0050380 [0,1,0,0,0,1|1,0,1]=4 94 B11R1.124 CC(C)C1=NC(CCN)=NO1 CS-0037979 [0,2,0,0,0,0|1,1,0]=4 95 B11R1.646 CC1=NN(C(C)(C)C)C(N)=C1 CS-D0481 [0,2,0,0,0,0|2,0,0]=4 96 B11R1.672 CC(C)C1=NN(C)C(N)=C1Br CS-0061032 [0,2,0,0,0,0|2,0,0]=4 97 B11R2.34 BrC1=NC=C(C2CC2)C=C1 CS-W019243 [0,0,0,1,0,1|2,0,0]=4 98 B11R2.34 OC1=CC=C(C2CC2)N=C1 CS-0105439 [0,0,0,1,0,1|2,0,0]=4 99 B11R2.35 ClC1=NC(C2CC2)=NC=C1 CS-0036925 [0,0,0,1,0,1|2,0,0]=4 100 B11R2.35 ClC1=NC=CC(C2CC2)=N1 CS-0112542 [0,0,0,1,0,1|2,0,0]=4 101 B11R2.352 CN1C=NC(C2CNC2)=N1 CS-0100339 [0,1,0,1,0,0|2,0,0]=4 102 B11R2.21 OCC1=CN=C(C2CC2)O1 CS-0060047 [0,1,0,1,0,0|2,0,0]=4 103 B9R1.2 CC1=CC=NC(CN)=N1 CS-0038029 [1,0,0,0,0,1|2,0,0]=4 104 B9R1.2 CC1=CC=NC(CO)=N1 CS-0053193 [1,0,0,0,0,1|2,0,0]=4 105 B9R1.2 CC1=NC(CO)=CC=C1 CS-W008058 [1,0,0,0,0,1|2,0,0]=4 106 B9R1.2 CC1=NC(CO)=CN=C1 CS-0100025 [1,0,0,0,0,1|2,0,0]=4 107 B9R1.2 CCC1=NC(Br)=CC=C1 CS-0061464 [1,0,0,0,0,1|2,0,0]=4 108 B9R1.2 CCC1=NC(O)=CC=N1 CS-0036926 [1,0,0,0,0,1|2,0,0]=4 109 B9R1.2 CCC1=NC=CC(Cl)=N1 CS-0035502 [1,0,0,0,0,1|2,0,0]=4 110 B9R1.13 C[C@@H](N)CC1=CC=CS1 CS-0100790 [1,0,0,0,0,1|2,0,0]=4 111 B9R1.13 C[C@H](N)CC1=CC=CS1 CS-0100791 [1,0,0,0,0,1|2,0,0]=4 112 B11R1.20 CC(C)OC1=CC=C(Br)C=N1 CS-0038218 [0,0,0,0,0,2|2,0,0]=4 113 B11R1.20 CC1=CN=C(OC(C)C)C=C1 CS-0037036 [0,0,0,0,0,2|1,0,0]=3