0 B7R1.4 CC1=CC=NN1C BBL029437 [0,0,0,0,0,0|3,0,0]=3 1 B7R1.4 CC1=NC=CN1C BBL011425 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.4 CC1=NNC=C1Br BBL013133 [0,0,0,0,0,0|3,0,0]=3 3 B7R1.4 CC1=NNC=C1I BBL031626 [0,0,0,0,0,0|3,0,0]=3 4 B7R1.4 CC1=NNC=C1N BBL030292 [0,0,0,0,0,0|3,0,0]=3 5 B7R1.4 ClC1=NSN=C1Cl BBL027771 [0,0,0,0,0,0|4,0,0]=4 6 B7R1.4 NC1=NNC=C1Br BBL010207 [0,0,0,0,0,0|4,0,0]=4 7 B6R1.2 BrC1=CNC=N1 BBL011159 [1,0,0,0,0,0|3,0,0]=4 8 B6R1.2 CC1=NC=CN1 BBL013047 [1,0,0,0,0,0|3,0,0]=4 9 B6R1.2 CN1C=CN=C1 BBL011447 [1,0,0,0,0,0|2,0,0]=3 10 B6R1.2 ClC1=CC=CS1 BBL027523 [1,0,0,0,0,0|3,0,0]=4 11 B6R1.2 ClC1=NSN=C1 BBL033325 [1,0,0,0,0,0|3,0,0]=4 12 B6R1.2 NC1=CC=NN1 BBL008564 [1,0,0,0,0,0|3,0,0]=4 13 B6R1.2 NC1=CNN=C1 BBL012618 [1,0,0,0,0,0|3,0,0]=4 14 B6R1.2 O=C1C=CCC1 BBL100014 [1,0,0,0,0,0|2,0,1]=4 15 B8R1.11 CC1=C(CN)C=NN1 BBL008531 [0,1,0,0,0,0|2,0,0]=3 16 B8R1.11 CC1=C(CO)N=CN1 BBL013124 [0,1,0,0,0,0|3,0,0]=4 17 B8R1.11 CC1=NON=C1CCl BBL040908 [0,1,0,0,0,0|2,1,0]=4 18 B8R1.11 CC1=NON=C1CI BBL036814 [0,1,0,0,0,0|2,1,0]=4 19 B8R1.11 CCN1N=CC=C1C BBL039617 [0,1,0,0,0,0|3,0,0]=4 20 B8R1.11 CN1C=CC=C1C=O BBL001423 [0,1,0,0,0,0|2,0,1]=4 21 B8R1.11 CN1C=CC=C1CN BBL029743 [0,1,0,0,0,0|2,0,0]=3 22 B8R1.11 CN1N=CC=C1CN BBL104311 [0,1,0,0,0,0|3,0,0]=4 23 B8R1.11 CN1N=CC=C1CO BBL040783 [0,1,0,0,0,0|3,0,0]=4 24 B8R1.18 CC1=C(C)SC(Br)=N1 BBL031925 [0,1,0,0,0,0|3,0,0]=4 25 B8R1.18 CC1=CC(=O)OC1=O BBL011623 [0,1,0,0,0,0|3,0,0]=4 26 B8R1.18 CC1=NN(C)C=C1Br BBL016252 [0,1,0,0,0,0|3,0,0]=4 27 B8R1.18 CC1=NN(C)C=C1N BBL013092 [0,1,0,0,0,0|3,0,0]=4 28 B8R1.50 CC1=C(Br)C(O)=NO1 BBL033323 [0,1,0,0,0,0|3,0,0]=4 29 B8R1.50 CC1=C(Br)C=NN1C BBL031474 [0,1,0,0,0,0|3,0,0]=4 30 B8R1.50 CC1=C(Cl)C(N)=NN1 BBL038991 [0,1,0,0,0,0|3,0,0]=4 31 B8R1.50 CC1=NNC(C)=C1N BBL005485 [0,1,0,0,0,0|3,0,0]=4 32 B8R1.50 CC1=NOC(C)=C1N BBL038495 [0,1,0,0,0,0|2,1,0]=4 33 B8R1.50 CN1C=NC(Cl)=C1Cl BBL028128 [0,1,0,0,0,0|3,0,0]=4 34 B8R1.50 CN1C=NC(I)=C1I BBL029822 [0,1,0,0,0,0|3,0,0]=4 35 B6R0.3 C\C=C(\C)C(=O)O BBL012257 [0,0,1,0,0,0|3,0,0]=4 36 B8R1.4 CC1=CC(C)=NC=C1 BBL027575 [0,0,0,0,0,1|2,0,0]=3 37 B8R1.4 CC1=CC=CC(C)=N1 BBL013176 [0,0,0,0,0,1|1,0,0]=2 38 B8R1.4 NC1=CC(S)=CC=C1 BBL027659 [0,0,0,0,0,1|3,0,0]=4 39 B8R1.4 NC1=CC=CC(N)=N1 BBL011548 [0,0,0,0,0,1|3,0,0]=4 40 B8R1.4 NC1=NC(Cl)=CN=C1 BBL028064 [0,0,0,0,0,1|3,0,0]=4 41 B8R1.5 CC1=C(Br)C=NC=C1 BBL028165 [0,0,0,0,0,1|2,0,0]=3 42 B8R1.5 CC1=CC=NC=C1C BBL027583 [0,0,0,0,0,1|1,0,0]=2 43 B8R1.5 C[N+]1=CC=CC=C1Cl BBL011337 [0,0,0,0,0,1|3,0,0]=4 44 B8R1.5 NC1=C(I)C=CC=C1 BBL011389 [0,0,0,0,0,1|3,0,0]=4 45 B8R1.5 NC1=C(N)C=NC=C1 BBL013269 [0,0,0,0,0,1|3,0,0]=4 46 B8R1.5 NC1=C(O)C=CC=N1 BBL009590 [0,0,0,0,0,1|3,0,0]=4 47 B8R1.5 NC1=C(O)C=CN=C1 BBL011065 [0,0,0,0,0,1|3,0,0]=4 48 B8R1.5 NC1=CC=CN=C1N BBL011063 [0,0,0,0,0,1|3,0,0]=4 49 B8R1.5 OC1=C(O)N=CC=C1 BBL027572 [0,0,0,0,0,1|3,0,0]=4 50 B8R1.5 OC1=CC=CN=C1Br BBL013305 [0,0,0,0,0,1|3,0,0]=4 51 B5R0.1 CC(C)=CCO BBL011665 [1,0,1,0,0,0|2,0,0]=4 52 B5R0.3 C=CC(=O)OC BBL011432 [1,0,1,0,0,0|2,0,0]=4 53 B5R0.5 C=C(C)C(=O)Cl BBL010941 [1,0,1,0,0,0|1,1,0]=4 54 B5R0.5 C=C(C)C(=O)O BBL011616 [1,0,1,0,0,0|1,1,0]=4 55 B5R0.5 C=C(C)C(N)=O BBL011416 [1,0,1,0,0,0|1,1,0]=4 56 B5R1.1 C1=CNC=C1 BBL011520 [2,0,0,0,0,0|1,0,0]=3 57 B5R1.1 C1=CSC=N1 BBL027512 [2,0,0,0,0,0|1,0,0]=3 58 B7R0.4 C\C=C\C=C/C(=O)O BBL011617 [0,1,1,0,0,0|2,0,0]=4 59 B7R1.1 NCC1=CC=CO1 BBL011620 [1,1,0,0,0,0|2,0,0]=4 60 B7R1.1 NCC1=CC=NN1 BBL038226 [1,1,0,0,0,0|2,0,0]=4 61 B7R1.1 O=CC1=CSC=C1 BBL012656 [1,1,0,0,0,0|0,0,1]=3 62 B7R1.2 CC1=CC(O)=NO1 BBL033480 [1,1,0,0,0,0|2,0,0]=4 63 B7R1.2 CC1=CN=C(Br)S1 BBL031032 [1,1,0,0,0,0|2,0,0]=4 64 B7R1.2 CC1=CN=C(Cl)S1 BBL011206 [1,1,0,0,0,0|2,0,0]=4 65 B7R1.2 CC1=CNC(C)=N1 BBL027875 [1,1,0,0,0,0|2,0,0]=4 66 B7R1.2 CC1=NN(C)C=C1 BBL038742 [1,1,0,0,0,0|2,0,0]=4 67 B7R1.2 CC1=NNC(N)=C1 BBL010620 [1,1,0,0,0,0|2,0,0]=4 68 B7R1.2 CC1=NOC(N)=C1 BBL010138 [1,1,0,0,0,0|1,1,0]=4 69 B7R1.2 CN1C=NC(Br)=C1 BBL037036 [1,1,0,0,0,0|2,0,0]=4 70 B9R1.2 BrCC1=CC(Br)=CC=C1 BBL019514 [0,1,0,0,0,1|2,0,0]=4 71 B9R1.2 CC1=CC=CC(NN)=C1 BBL012136 [0,1,0,0,0,1|2,0,0]=4 72 B9R1.2 ClCC1=CC=CC(Br)=C1 BBL027952 [0,1,0,0,0,1|2,0,0]=4 73 B9R1.2 NC1=CC(CO)=CC=C1 BBL003537 [0,1,0,0,0,1|2,0,0]=4 74 B9R1.2 NCC1=CC(N)=CC=C1 BBL011549 [0,1,0,0,0,1|2,0,0]=4 75 B9R1.3 CC1=CC=CC(C)=C1O BBL011609 [0,1,0,0,0,1|1,0,0]=3 76 B9R1.3 CC1=CC=CC(N)=C1O BBL000343 [0,1,0,0,0,1|2,0,0]=4 77 B9R1.34 CC1=CC(O)=CC(=O)O1 BBL008420 [0,1,0,0,0,1|2,0,0]=4 78 B9R1.34 CC1=CC(O)=CC(O)=C1 BBL027377 [0,1,0,0,0,1|2,0,0]=4 79 B9R1.34 CC1=NC(C)=NC(Cl)=C1 BBL028444 [0,1,0,0,0,1|2,0,0]=4 80 B9R1.69 CC1=CC(=O)C=CC1=O BBL037012 [0,1,0,0,0,1|2,0,0]=4 81 B9R1.69 CC1=CC(C)=C(O)C=C1 BBL011443 [0,1,0,0,0,1|1,0,0]=3 82 B9R1.69 CC1=CC(N)=C(N)C=C1 BBL013178 [0,1,0,0,0,1|2,0,0]=4 83 B9R1.69 CC1=CC(N)=C(O)C=C1 BBL001485 [0,1,0,0,0,1|2,0,0]=4 84 B9R1.69 CC1=CC(O)=C(N)C=C1 BBL002991 [0,1,0,0,0,1|2,0,0]=4 85 B9R1.69 CC1=CN=C(C)C(Cl)=N1 BBL027561 [0,1,0,0,0,1|2,0,0]=4 86 B9R1.15 CC1=C(C#N)N=CC=C1 BBL011525 [0,1,0,0,0,1|1,0,1]=4 87 B9R1.15 CC1=C(CBr)N=CC=C1 BBL038258 [0,1,0,0,0,1|1,0,0]=3 88 B9R1.15 CC1=C(NN)C=CC=C1 BBL007626 [0,1,0,0,0,1|2,0,0]=4 89 B9R1.15 CNC1=C(N)C=CC=N1 BBL031075 [0,1,0,0,0,1|2,0,0]=4 90 B9R1.15 COC1=NC=CC=C1N BBL029047 [0,1,0,0,0,1|2,0,0]=4 91 B9R1.15 ClCC1=C(Cl)C=CC=C1 BBL012560 [0,1,0,0,0,1|2,0,0]=4 92 B9R1.15 NC1=CC=CC=C1CO BBL027657 [0,1,0,0,0,1|2,0,0]=4 93 B9R1.27 CC1=NNC(C)=C1CN BBL014299 [0,2,0,0,0,0|2,0,0]=4 94 B9R1.132 CC1=C(CO)C=NN1C BBL037988 [0,2,0,0,0,0|2,0,0]=4 95 B9R1.132 CC1=CC=C(C=O)N1C BBL012642 [0,2,0,0,0,0|2,0,0]=4 96 B7R1.24 C1=CC=CCC=C1 BBL027452 [0,0,1,1,0,0|1,0,1]=4 97 B9R2.3 C1=NNC2=C1CCC2 BBL011883 [0,1,0,1,0,0|2,0,0]=4