0 B9R1.15 C1=CC(=C(N=C1)C#N)F 5084 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.15 C1=CC(=C(N=C1)Cl)C#N 5375 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.15 C1=CC(=C(N=C1)Cl)CO 6736 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.15 C1=CC(=C(N=C1)F)C#N 5238 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.15 C1=CC(=C(N=C1)N)C=O 9322 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.15 CC1=CC=CC=C1CO 6723 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.15 CCC1=CC=CC=C1I 6010 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.15 CCC1=CC=CC=C1S 5060 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.15 COC1=C(C=CC=N1)N 6512 [0,0,0,0,0,0|2,1,0]=3 9 B9R1.15 COC1=C(N=CC=C1)Cl 9004 [0,0,0,0,0,0|2,1,0]=3 10 B9R1.15 COC1=CC=CC=C1Br 6133 [0,0,0,0,0,0|3,1,0]=4 11 B9R1.15 COC1=CC=CC=C1F 6115 [0,0,0,0,0,0|3,1,0]=4 12 B9R1.15 COC1=CC=CC=C1I 9182 [0,0,0,0,0,0|3,1,0]=4 13 B9R1.15 COC1=CC=CC=C1N 6674 [0,0,0,0,0,0|3,1,0]=4 14 B9R1.15 COc1ccccc1Br B0022 [0,0,0,0,0,0|3,1,0]=4 15 B9R1.15 CSC1=CC=CC=C1Br 5058 [0,0,0,0,0,0|3,0,0]=3 16 B9R1.15 CSC1=CC=CC=C1Cl 6157 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.15 CSC1=CC=CC=C1N 8226 [0,0,0,0,0,0|3,0,0]=3 18 B9R1.15 CSC1=CC=CC=C1O 8029 [0,0,0,0,0,0|3,0,0]=3 19 B8R1.2 C1=CC(=CN=C1)CCl 5990 [1,0,0,0,0,0|3,0,0]=4 20 B8R1.2 C1=CC(=CN=C1)CN 10146 [1,0,0,0,0,0|3,0,0]=4 21 B8R1.2 C1=CC(=CN=C1)CO 8600 [1,0,0,0,0,0|3,0,0]=4 22 B8R1.2 C1=CC=NC(=C1)CCl 10463 [1,0,0,0,0,0|3,0,0]=4 23 B8R1.2 C1=CC=NC(=C1)CN 5496 [1,0,0,0,0,0|3,0,0]=4 24 B8R1.2 C1=CN=C(C=N1)C#N 6122 [1,0,0,0,0,0|2,0,0]=3 25 B8R1.2 COC1=CC=CC=N1 9619 [1,0,0,0,0,0|1,1,0]=3 26 B8R1.2 c1ccnc(c1)C=O P0092 [1,0,0,0,0,0|3,0,0]=4 27 B8R1.5 C1=CC(=C(N=C1)Br)Br 9457 [1,0,0,0,0,0|3,0,0]=4 28 B8R1.5 C1=CC(=C(N=C1)Cl)Br 9039 [1,0,0,0,0,0|3,0,0]=4 29 B8R1.5 C1=CC(=C(N=C1)Cl)Cl 5463 [1,0,0,0,0,0|3,0,0]=4 30 B8R1.5 C1=CC(=C(N=C1)Cl)Cl 6656 [1,0,0,0,0,0|3,0,0]=4 31 B8R1.5 C1=CC(=C(N=C1)Cl)F 5206 [1,0,0,0,0,0|3,0,0]=4 32 B8R1.5 C1=CC(=C(N=C1)Cl)I 8613 [1,0,0,0,0,0|3,0,0]=4 33 B8R1.5 C1=CC(=C(N=C1)Cl)N 6694 [1,0,0,0,0,0|3,0,0]=4 34 B8R1.5 C1=CC(=C(N=C1)Cl)O 6690 [1,0,0,0,0,0|2,1,0]=4 35 B8R1.5 C1=CC(=C(N=C1)F)Cl 8500 [1,0,0,0,0,0|3,0,0]=4 36 B8R1.5 C1=CC(=C(N=C1)F)F 5471 [1,0,0,0,0,0|3,0,0]=4 37 B8R1.5 C1=CC(=C(N=C1)N)Br 6715 [1,0,0,0,0,0|3,0,0]=4 38 B8R1.5 C1=CC(=C(N=C1)N)Cl 10389 [1,0,0,0,0,0|3,0,0]=4 39 B8R1.5 C1=CC(=C(N=C1)N)F 10619 [1,0,0,0,0,0|3,0,0]=4 40 B8R1.5 C1=CC(=C(N=C1)N)N 9712 [1,0,0,0,0,0|3,0,0]=4 41 B8R1.5 C1=CN=C(C(=N1)N)Cl 8111 [1,0,0,0,0,0|2,0,0]=3 42 B8R1.5 CC1=C(C=CC=N1)Br 5675 [1,0,0,0,0,0|2,0,0]=3 43 B8R1.5 CC1=C(C=CC=N1)N 10626 [1,0,0,0,0,0|2,0,0]=3 44 B8R1.5 CC1=C(N=CC=C1)Br 8086 [1,0,0,0,0,0|2,0,0]=3 45 B8R1.5 CC1=CC=CC=C1Cl 5808 [1,0,0,0,0,0|3,0,0]=4 46 B8R1.5 CC1=CC=CC=C1I 5298 [1,0,0,0,0,0|3,0,0]=4 47 B8R1.5 CC1=NC=CN=C1C 10470 [1,0,0,0,0,0|0,0,0]=1 48 B10R1.20 CCC1=NC=CN=C1OC 5339 [0,1,0,0,0,0|0,1,0]=2 49 B10R1.20 COC1=CC=CC=C1OC 9439 [0,1,0,0,0,0|2,1,0]=4 50 B10R1.20 COC1=CC=CC=C1SC 5663 [0,1,0,0,0,0|2,0,0]=3 51 B10R1.25 COC1=C(C=C(C=N1)Br)Br 9537 [0,1,0,0,0,0|2,1,0]=4 52 B10R1.25 COC1=C(C=C(C=N1)Cl)Br 6646 [0,1,0,0,0,0|2,1,0]=4 53 B10R1.25 COC1=NC=C(C=C1N)Br 9588 [0,1,0,0,0,0|2,1,0]=4 54 B10R1.61 CC(=O)C1=C(N=CC=C1)Cl 10697 [0,1,0,0,0,0|3,0,0]=4 55 B10R1.61 CC1=C(C=CC=N1)C(=O)O 8461 [0,1,0,0,0,0|3,0,0]=4 56 B10R1.61 CC1=NC=CN=C1C(=O)C 6120 [0,1,0,0,0,0|1,0,0]=2 57 B10R2.7 c1ccc2c(c1)CCC2 I009 [0,0,0,1,0,0|3,0,0]=4 58 B8R1.11 CC1=C(SC=N1)C=O 8622 [0,0,0,0,1,0|3,0,0]=4 59 B8R1.11 CN1C=CN=C1CO 10537 [0,0,0,0,1,0|3,0,0]=4 60 B7R1.3 C1=CC(=CN=C1)N 9511 [2,0,0,0,0,0|2,0,0]=4 61 B7R1.3 C1=CC(=CN=C1)O 6695 [2,0,0,0,0,0|1,1,0]=4 62 B7R1.3 C1=CC(=CN=C1)O 6696 [2,0,0,0,0,0|1,1,0]=4 63 B7R1.3 C1=CC=NC(=C1)Br 6647 [2,0,0,0,0,0|2,0,0]=4 64 B7R1.3 C1=CN=C(C=N1)Cl 5278 [2,0,0,0,0,0|1,0,0]=3 65 B7R1.3 C1=CN=C(C=N1)N 6677 [2,0,0,0,0,0|1,0,0]=3 66 B7R1.3 CC1=CN=CC=C1 8633 [2,0,0,0,0,0|1,0,0]=3 67 B7R1.3 c1ccnc(c1)Br B0025 [2,0,0,0,0,0|2,0,0]=4 68 B9R1.1 COC1=NC=C(C=C1)Br 9358 [1,1,0,0,0,0|1,1,0]=4 69 B9R1.1 COC1=NC=C(C=C1)Br 9555 [1,1,0,0,0,0|1,1,0]=4 70 B9R1.1 COC1=NC=C(C=C1)Cl 9538 [1,1,0,0,0,0|1,1,0]=4 71 B9R1.1 COC1=NC=C(C=C1)N 9999 [1,1,0,0,0,0|1,1,0]=4 72 B9R1.1 CSC1=CC=C(C=C1)F 9086 [1,1,0,0,0,0|2,0,0]=4 73 B9R1.2 CC1=NC(=NC=C1)SC 8077 [1,1,0,0,0,0|2,0,0]=4 74 B9R1.2 COC1=CC(=CN=C1)Br 10627 [1,1,0,0,0,0|1,1,0]=4 75 B9R1.2 COC1=CC(=CN=C1)Br 5648 [1,1,0,0,0,0|1,1,0]=4 76 B9R1.2 COC1=NC(=CC=C1)Br 6692 [1,1,0,0,0,0|1,1,0]=4 77 B9R1.2 COC1=NC(=CC=C1)Cl 8886 [1,1,0,0,0,0|1,1,0]=4 78 B9R1.2 CSC1=CC(=CC=C1)Cl 5596 [1,1,0,0,0,0|2,0,0]=4 79 B9R1.2 CSC1=CC=CC(=C1)F 9504 [1,1,0,0,0,0|2,0,0]=4 80 B9R1.2 CSC1=CC=CC(=C1)N 6516 [1,1,0,0,0,0|2,0,0]=4 81 B9R1.6 C1=CN=C(C=N1)C(=O)O 6728 [1,1,0,0,0,0|2,0,0]=4 82 B9R1.6 CC(=O)C1=NC=CN=C1 6119 [1,1,0,0,0,0|1,0,0]=3 83 B9R1.8 C1=CC=NC(=C1)CCN 5251 [1,1,0,0,0,0|2,0,0]=4 84 B9R1.8 C1=CC=NC(=C1)CCO 9142 [1,1,0,0,0,0|2,0,0]=4 85 B9R1.3 CC1=C(C(=CC=C1)F)C 6112 [1,1,0,0,0,0|2,0,0]=4 86 B9R1.69 CC1=C(C=C(C=C1)Cl)S 9802 [1,1,0,0,0,0|2,0,0]=4 87 B9R1.69 CC1=C(C=C(C=C1)F)C 6113 [1,1,0,0,0,0|2,0,0]=4 88 B9R1.69 CC1=C(C=CC(=N1)Br)Br 10157 [1,1,0,0,0,0|2,0,0]=4 89 B9R1.69 CC1=C(C=CC(=N1)Cl)Br 5242 [1,1,0,0,0,0|2,0,0]=4 90 B9R1.69 CC1=C(C=CC(=N1)Cl)F 5081 [1,1,0,0,0,0|2,0,0]=4 91 B9R1.69 CC1=C(C=CC(=N1)Cl)N 10002 [1,1,0,0,0,0|2,0,0]=4 92 B9R1.69 CC1=C(C=CC(=N1)F)Br 5681 [1,1,0,0,0,0|2,0,0]=4 93 B9R1.69 CC1=C(C=CC(=N1)F)N 8257 [1,1,0,0,0,0|2,0,0]=4 94 B9R1.69 CC1=C(C=CC(=N1)N)Br 5101 [1,1,0,0,0,0|2,0,0]=4 95 B9R1.69 CC1=C(C=CC(=N1)N)Cl C2896 [1,1,0,0,0,0|2,0,0]=4 96 B9R1.69 CC1=CC(=CN=C1Br)Br 5235 [1,1,0,0,0,0|2,0,0]=4 97 B9R1.69 CC1=CC(=CN=C1Cl)N 9387 [1,1,0,0,0,0|2,0,0]=4 98 B9R1.69 CC1=CC(=CN=C1F)Br 5236 [1,1,0,0,0,0|2,0,0]=4 99 B9R1.69 CC1=CC(=CN=C1N)Br 5024 [1,1,0,0,0,0|2,0,0]=4 100 B9R1.69 CC1=CC(=CN=C1N)I 6628 [1,1,0,0,0,0|2,0,0]=4 101 B9R1.69 CC1=NC(=C(C=C1)Br)C 6834 [1,1,0,0,0,0|2,0,0]=4 102 B11R1.222 COC(=O)C1=NC=CN=C1N 10013 [0,2,0,0,0,0|1,1,0]=4 103 B7R1.1 CCN1C=CC=N1 8885 [1,0,0,0,1,0|2,0,0]=4 104 B7R1.4 CC1=C(SC=C1)Br 5664 [1,0,0,0,1,0|2,0,0]=4 105 B7R1.4 CC1=C(SC=N1)C 5281 [1,0,0,0,1,0|1,0,0]=3 106 B7R1.4 CC1=CC=NN1C 5243 [1,0,0,0,1,0|1,0,0]=3