0 B7R1.3 C1=CC(=CN=C1)N 9511 [0,0,0,0,0,0|2,0,2]=4 1 B7R1.3 C1=CC(=CN=C1)O 6695 [0,0,0,0,0,0|1,0,3]=4 2 B7R1.3 C1=CC(=CN=C1)O 6696 [0,0,0,0,0,0|1,0,3]=4 3 B7R1.3 C1=CC=C(C=C1)F 5387 [0,0,0,0,0,0|1,0,3]=4 4 B7R1.3 C1=CC=C(C=C1)O 5847 [0,0,0,0,0,0|0,0,4]=4 5 B7R1.3 C1=CC=NC(=C1)Br 6647 [0,0,0,0,0,0|2,0,2]=4 6 B7R1.3 C1=CN=CN=C1N 6491 [0,0,0,0,0,0|3,0,1]=4 7 B7R1.3 C1CC(CNC1)O 10421 [0,0,0,0,0,0|1,0,3]=4 8 B7R1.3 C1CC=CC(C1)Br 8970 [0,0,0,0,0,0|1,0,1]=2 9 B7R1.3 C1CCC(=O)CC1 5327 [0,0,0,0,0,0|0,0,2]=2 10 B7R1.3 C1CCC(CC1)F 8957 [0,0,0,0,0,0|1,0,3]=4 11 B7R1.3 C1CNC(=O)CN1 8468 [0,0,0,0,0,0|2,0,1]=3 12 B7R1.3 C1CNCCC1=O 10646 [0,0,0,0,0,0|1,0,2]=3 13 B7R1.3 C1CNCCC1=O 8608 [0,0,0,0,0,0|1,0,2]=3 14 B7R1.3 C1COCCC1=O 9746 [0,0,0,0,0,0|1,0,2]=3 15 B7R1.3 CC1=CN=CC=C1 8633 [0,0,0,0,0,0|2,0,2]=4 16 B7R1.3 c1ccc(cc1)F B0042 [0,0,0,0,0,0|1,0,3]=4 17 B7R1.3 c1ccnc(c1)Br B0025 [0,0,0,0,0,0|2,0,2]=4 18 B6R1.1 C1=CC=NC=C1 8793 [1,0,0,0,0,0|1,0,2]=4 19 B6R1.1 C1=CC=NN=C1 6802 [1,0,0,0,0,0|2,0,1]=4 20 B6R1.1 C1CC=COC1 6859 [1,0,0,0,0,0|1,0,0]=2 21 B6R1.1 C1CSCSC1 6870 [1,0,0,0,0,0|2,0,1]=4 22 B8R1.2 c1ccnc(c1)C=O P0092 [0,1,0,0,0,0|1,0,2]=4 23 B8R1.2 c1cnccc1C=O P0128 [0,1,0,0,0,0|1,0,2]=4 24 B8R1.2 c1cnccc1C=O P0128 [0,1,0,0,0,0|1,0,2]=4 25 B8R1.3 C1=CC(=O)NC=C1Br 8266 [0,1,0,0,0,0|1,0,2]=4 26 B8R1.3 C1=CC(=O)NC=C1Cl 10450 [0,1,0,0,0,0|1,0,2]=4 27 B8R1.3 C1=CC(=O)NC=C1F 8617 [0,1,0,0,0,0|1,0,2]=4 28 B8R1.3 C1CC(=O)CCC1O 10634 [0,1,0,0,0,0|0,0,2]=3 29 B8R1.3 CC1=CNC(=O)C=C1 9951 [0,1,0,0,0,0|1,0,2]=4 30 B8R1.3 CN1CCC(=O)CC1 6766 [0,1,0,0,0,0|1,0,2]=4 31 B8R1.3 CN1CCC(=O)CC1 M0015 [0,1,0,0,0,0|1,0,2]=4 32 B8R1.4 C1=CC(=O)NC(=C1)Cl 10464 [0,1,0,0,0,0|1,0,2]=4 33 B8R1.4 C1=CC(=O)NC(=C1)F 6665 [0,1,0,0,0,0|1,0,2]=4 34 B8R1.4 C1=CNC(=O)C=C1O 10547 [0,1,0,0,0,0|1,0,2]=4 35 B8R1.4 C1CC(=CC(=O)C1)N 8165 [0,1,0,0,0,0|0,0,0]=1 36 B8R1.4 C1CC(=O)CC(=O)C1 10153 [0,1,0,0,0,0|0,0,1]=2 37 B8R1.4 C1CNC(=O)CC1=O 9532 [0,1,0,0,0,0|1,0,1]=3 38 B8R1.5 C1=CNC=C(C1=O)N 9533 [0,1,0,0,0,0|1,0,2]=4 39 B6R0.1 CCCC(=O)NN 9684 [0,0,1,0,0,0|2,0,0]=3 40 B6R0.1 CCOC(=O)C=O 6826 [0,0,1,0,0,0|2,0,0]=3 41 B6R0.1 CCOC(=O)CN 10010 [0,0,1,0,0,0|2,0,1]=4 42 B6R0.1 COC(=O)CCBr 5506 [0,0,1,0,0,0|2,0,1]=4 43 B6R0.4 C(CC(=O)O)CN 6222 [0,0,1,0,0,0|2,0,0]=3 44 B6R0.4 C=CCCC(=O)O 5031 [0,0,1,0,0,0|1,0,1]=3 45 B6R0.4 CCCCC(=O)C 9447 [0,0,1,0,0,0|0,0,2]=3 46 B6R0.6 C=CCCCCBr 5037 [0,0,1,0,0,0|1,0,1]=3 47 B6R1.2 C1=C(NN=C1)N 5250 [0,0,0,0,1,0|3,0,0]=4 48 B6R1.2 C1=CON=C1N 6722 [0,0,0,0,1,0|3,0,0]=4 49 B6R1.2 C1=CSC(=C1)Br 5377 [0,0,0,0,1,0|2,0,1]=4 50 B6R1.2 C1=CSC(=C1)Cl 9477 [0,0,0,0,1,0|2,0,1]=4 51 B6R1.2 C1=CSC(=C1)I 9486 [0,0,0,0,1,0|2,0,1]=4 52 B6R1.2 C1=CSC=C1Cl 9478 [0,0,0,0,1,0|2,0,1]=4 53 B6R1.2 C1CC(=O)C=C1 9804 [0,0,0,0,1,0|0,0,0]=1 54 B6R1.2 C1CC(=O)NC1 P0006 [0,0,0,0,1,0|1,0,0]=2 55 B6R1.2 C1CC(=O)OC1 8838 [0,0,0,0,1,0|1,0,0]=2 56 B6R1.2 C1CCC(=O)C1 9600 [0,0,0,0,1,0|0,0,1]=2 57 B6R1.2 C1CCC(C1)Br 6579 [0,0,0,0,1,0|1,0,2]=4 58 B6R1.2 C1CNC(=O)N1 6785 [0,0,0,0,1,0|2,0,0]=3 59 B6R1.2 CC1=CC=CS1 8742 [0,0,0,0,1,0|2,0,1]=4 60 B6R1.2 CC1=CC=NN1 8083 [0,0,0,0,1,0|3,0,0]=4 61 B6R1.2 Cc1cccs1 M0049 [0,0,0,0,1,0|2,0,1]=4 62 B7R0.2 C[C@H](CC(=O)OC)O 6807 [0,1,1,0,0,0|1,0,1]=4 63 B7R0.3 COC(=O)CCCBr 9868 [0,1,1,0,0,0|1,0,1]=4 64 B7R0.3 COC(=O)CCCN 8415 [0,1,1,0,0,0|1,0,1]=4 65 B7R0.5 CCOC(=O)[C@H](C)O 9449 [0,1,1,0,0,0|1,0,1]=4 66 B7R0.7 CCOC(=O)CCN 8696 [0,1,1,0,0,0|1,0,1]=4 67 B7R0.4 CCCC=CC(=O)[O-] 6126 [0,1,1,0,0,0|1,0,0]=3 68 B7R1.1 c1cc(oc1)C=O F0018 [0,1,0,0,1,0|1,0,1]=4 69 B7R1.1 c1cc(sc1)C=O T0002 [0,1,0,0,1,0|1,0,1]=4 70 B7R1.2 C1C(=O)NC(=O)S1 9422 [0,1,0,0,1,0|2,0,0]=4 71 B7R1.2 C1C(=O)NC(=S)N1 8467 [0,1,0,0,1,0|2,0,0]=4 72 B7R1.2 C1C(=O)NC(=S)S1 10130 [0,1,0,0,1,0|2,0,0]=4 73 B7R1.2 C1CC(=O)CC1=O 5093 [0,1,0,0,1,0|0,0,1]=3 74 B7R1.2 CC1=CC(=O)NO1 9631 [0,1,0,0,1,0|2,0,0]=4 75 B7R1.4 C1COC(=O)C1Br 8284 [0,1,0,0,1,0|1,0,0]=3 76 B7R1.4 CC1C(=O)CCO1 10277 [0,1,0,0,1,0|1,0,1]=4 77 B7R1.4 CN1CCCC1=O 5092 [0,1,0,0,1,0|1,0,0]=3 78 B7R1.4 CN1CCCC1=O M0011 [0,1,0,0,1,0|1,0,0]=3 79 B9R1.10 C1CC(CCC1=O)(F)F 6688 [0,2,0,0,0,0|0,0,2]=4 80 B9R1.69 C1CC(=O)NC(=O)C1N 10503 [0,2,0,0,0,0|1,0,0]=3 81 B7R1.18 C1CC(C1)C(=O)O 8209 [0,0,1,1,0,0|1,0,1]=4 82 B7R1.20 C1CC1CC(=O)O 6163 [0,0,1,1,0,0|1,0,1]=4 83 B5R1.1 C1=CNN=C1 9931 [1,0,0,0,1,0|2,0,0]=4 84 B5R1.1 C1=CON=C1 6747 [1,0,0,0,1,0|2,0,0]=4 85 B5R1.1 C1CCOC1 5749 [1,0,0,0,1,0|1,0,1]=4 86 B5R1.1 c1c[nH]nc1 P0008 [1,0,0,0,1,0|2,0,0]=4 87 B5R1.2 C1CC(=O)C1 5717 [0,0,0,0,2,0|0,0,0]=2