0 B8R1.1 BrCC1=NC=C(Br)O1 87116 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.1 C#CC1=CC=C(F)S1 AT23390 [0,0,0,0,0,0|2,1,1]=4 2 B8R1.1 C=CC1=NN(C)C=C1 C91458 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.1 CC1=CC(C=O)=NS1 F14135 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.1 CC1=CC(CN)=CS1 D76884 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.1 CC1=COC(C=O)=C1 P11782 [0,0,0,0,0,0|2,0,0]=2 6 B8R1.1 CC1=COC(CN)=C1 P11789 [0,0,0,0,0,0|3,0,1]=4 7 B8R1.1 CC1=COC(CN)=N1 72853 [0,0,0,0,0,0|3,0,1]=4 8 B8R1.1 CC1=NC(CBr)=CS1 D78646 [0,0,0,0,0,0|3,0,1]=4 9 B8R1.1 CCC1=CC=C(N)S1 AT14665 [0,0,0,0,0,0|2,1,1]=4 10 B8R1.1 CCC1=NC=C(Br)O1 AT18672 [0,0,0,0,0,0|3,0,1]=4 11 B8R1.1 CN1N=CC(C=O)=N1 AT25227 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.1 FC1=CC=C(CBr)O1 55271 [0,0,0,0,0,0|2,0,1]=3 13 B8R1.1 NC1=NC=C(CO)O1 AT18684 [0,0,0,0,0,0|2,0,2]=4 14 B8R1.1 NCC1=CC=C(Cl)O1 AT17313 [0,0,0,0,0,0|2,0,1]=3 15 B8R1.1 NCC1=NC=C(Br)O1 86227 [0,0,0,0,0,0|3,0,1]=4 16 B8R1.1 O=C1C=C[C@H](CBr)O1 AC6821 [0,0,0,0,0,0|2,0,2]=4 17 B8R1.1 O=CC1=CC(Cl)=CN1 P10223 [0,0,0,0,0,0|3,0,0]=3 18 B8R1.1 O=CC1=CC(F)=CS1 D74660 [0,0,0,0,0,0|3,0,0]=3 19 B8R1.1 O=CC1=CC=C(F)S1 87160 [0,0,0,0,0,0|1,1,0]=2 20 B8R1.1 O=CC1=CN=C(Br)N1 AC9540 [0,0,0,0,0,0|3,0,0]=3 21 B8R1.1 O=CC1=CNC(I)=C1 AC9285 [0,0,0,0,0,0|3,0,0]=3 22 B8R1.1 O=CC1=NC(Br)=CN1 AT15314 [0,0,0,0,0,0|3,0,0]=3 23 B8R1.1 OCC1=CC=C(Cl)O1 AC8965 [0,0,0,0,0,0|1,0,2]=3 24 B8R1.1 OCC1=CC=C(F)O1 55270 [0,0,0,0,0,0|1,0,2]=3 25 B8R1.1 SCC1=CC=C(Cl)O1 AT17318 [0,0,0,0,0,0|1,1,1]=3 26 B7R1.1 C#CC1=CC=CO1 AC9158 [1,0,0,0,0,0|1,0,1]=3 27 B7R1.1 NCC1=CN=CO1 P10824 [1,0,0,0,0,0|2,0,1]=4 28 B7R1.1 O=CC1=CC=NO1 C73163 [1,0,0,0,0,0|1,0,0]=2 29 B7R1.1 O=CC1=NNC=N1 C15565 [1,0,0,0,0,0|3,0,0]=4 30 B7R1.1 O=CC1=NON=C1 D74167 [1,0,0,0,0,0|3,0,0]=4 31 B7R1.1 O=CC1=NSN=C1 AT12124 [1,0,0,0,0,0|3,0,0]=4 32 B7R1.2 CC1=CC=C(N)S1 32908 [1,0,0,0,0,0|1,1,0]=3 33 B7R1.2 CC1=CN(N)C=C1 AT24000 [1,0,0,0,0,0|3,0,0]=4 34 B7R1.2 CC1=CN=C(Br)O1 F20659 [1,0,0,0,0,0|2,0,0]=3 35 B7R1.2 CC1=CN=C(N)N1 28111 [1,0,0,0,0,0|3,0,0]=4 36 B7R1.2 CC1=COC(Cl)=N1 AT18557 [1,0,0,0,0,0|3,0,0]=4 37 B7R1.2 CN1C=CC(S)=N1 AT15835 [1,0,0,0,0,0|2,1,0]=4 38 B7R1.2 NC1=CC=C(N)N1 F52185 [1,0,0,0,0,0|3,0,0]=4 39 B7R1.2 NC1=NC=C(Br)O1 D76175 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.7 CC1=NC=C(CCN)O1 AT18732 [0,1,0,0,0,0|2,0,1]=4 41 B9R1.7 N#CCC1=CC=C(Cl)O1 AC9281 [0,1,0,0,0,0|2,0,1]=4 42 B9R1.7 [C-]#[N+]CC1=CC=C(C)O1 AC9057 [0,1,0,0,0,0|1,0,1]=3 43 B9R1.21 CCN1N=CC(C=O)=N1 AT25229 [0,1,0,0,0,0|3,0,0]=4 44 B9R1.21 N#CC1=NC(C=O)=CS1 D75278 [0,1,0,0,0,0|2,0,1]=4 45 B9R1.21 N#CC1=NC=C(C=O)S1 D75279 [0,1,0,0,0,0|1,1,1]=4 46 B9R1.22 CC1=CN(C)N=C1C=O AT14213 [0,1,0,0,0,0|2,0,0]=3 47 B9R1.22 CC1=NC(Cl)=C(C=O)N1 AT26175 [0,1,0,0,0,0|2,0,0]=3 48 B9R1.22 CC1=NN(C)C(C=O)=N1 AT21381 [0,1,0,0,0,0|3,0,0]=4 49 B9R1.22 CN1C=C(C=O)C(Cl)=N1 AT14259 [0,1,0,0,0,0|3,0,0]=4 50 B9R1.23 CN1N=C(C=O)C=C1Br AT24034 [0,1,0,0,0,0|2,0,0]=3 51 B9R1.35 CC(=O)C1=CC(Br)=CO1 AT15600 [0,1,0,0,0,0|3,0,0]=4 52 B9R1.35 CC(=O)C1=CNC(Br)=C1 AC9410 [0,1,0,0,0,0|3,0,0]=4 53 B9R1.35 CC(=O)C1=NN(C)C=N1 91785 [0,1,0,0,0,0|3,0,0]=4 54 B9R1.35 CC1=CC(C(=O)O)=CO1 AT17486 [0,1,0,0,0,0|2,0,0]=3 55 B9R1.35 CC1=CC=C([C@H](C)N)O1 D96335 [0,1,0,0,0,0|1,0,1]=3 56 B9R1.35 CC1=CC=C([C@H](C)N)O1 D96391 [0,1,0,0,0,0|1,0,1]=3 57 B9R1.35 CC1=CC=C([C@H](C)N)O1 Y12181 [0,1,0,0,0,0|1,0,1]=3 58 B9R1.35 CC1=COC(C(=O)O)=C1 P12603 [0,1,0,0,0,0|2,0,0]=3 59 B9R1.35 CC1=COC(C(=O)O)=N1 94252 [0,1,0,0,0,0|2,0,0]=3 60 B9R1.35 CN1N=CC(C(=O)O)=N1 AT25233 [0,1,0,0,0,0|3,0,0]=4 61 B9R1.35 C[C@H](N)C1=CC=C(Br)O1 E72737 [0,1,0,0,0,0|2,0,1]=4 62 B9R1.35 C[C@H](N)C1=CC=C(Br)O1 Y11514 [0,1,0,0,0,0|2,0,1]=4 63 B9R1.35 C[C@H](N)C1=CC=C(Br)O1 Y11522 [0,1,0,0,0,0|2,0,1]=4 64 B9R1.35 NC1=CSC(C(=O)[O-])=N1 D77136 [0,1,0,0,0,0|3,0,0]=4 65 B9R1.35 NC1=NN=C(C(=O)[O-])O1 AT24497 [0,1,0,0,0,0|3,0,0]=4 66 B9R1.35 O=C(O)C1=COC(Cl)=C1 AT17316 [0,1,0,0,0,0|3,0,0]=4 67 B9R1.35 O=C(O)C1=CSC(F)=C1 P10264 [0,1,0,0,0,0|3,0,0]=4 68 B9R1.35 O=C(O)C1=NC(Br)=CN1 AT15621 [0,1,0,0,0,0|3,0,0]=4 69 B9R1.35 OB(O)C1=CC=C(F)O1 AC8605 [0,1,0,0,0,0|2,0,1]=4 70 B9R1.1 CC1=CC=C(CN)N=N1 37065 [0,0,0,0,0,1|2,0,1]=4 71 B9R1.1 CC1=CN=C(CBr)C=C1 AC9707 [0,0,0,0,0,1|2,0,1]=4 72 B9R1.1 CC1=NN=C(CCl)C=C1 F30432 [0,0,0,0,0,1|2,0,1]=4 73 B9R1.1 O=CC1=NC=C(O)C=N1 H11149 [0,0,0,0,0,1|3,0,0]=4 74 B9R1.2 CC1=CC(CBr)=NC=C1 AC9733 [0,0,0,0,0,1|2,0,1]=4 75 B9R1.2 CC1=CN=CC(CN)=N1 C91463 [0,0,0,0,0,1|2,0,1]=4 76 B9R1.2 O=CC1=CN=CC(F)=N1 P13899 [0,0,0,0,0,1|2,0,0]=3 77 B6R0.4 N#C\C=C\C(=O)O AC9289 [1,0,1,0,0,0|1,0,1]=4 78 B6R0.4 NC\C=C/C(=O)O AT20734 [1,0,1,0,0,0|1,0,1]=4 79 B6R0.4 NC\C=C\C(=O)O AT20733 [1,0,1,0,0,0|1,0,1]=4 80 B6R1.2 BrC1=CN=CO1 AT11056 [2,0,0,0,0,0|2,0,0]=4 81 B6R1.2 O=C1C=COC1 D75288 [2,0,0,0,0,0|2,0,0]=4 82 B6R1.2 O=C1NC=CO1 C74434 [2,0,0,0,0,0|1,0,0]=3 83 B6R1.2 OC1=CC=CS1 AC4704 [2,0,0,0,0,0|0,1,1]=4 84 B8R1.7 CC(=O)C1=NC=NO1 A10624 [1,1,0,0,0,0|2,0,0]=4 85 B8R1.7 CC(=O)C1=NSC=C1 AT21125 [1,1,0,0,0,0|2,0,0]=4 86 B8R1.7 O=C(O)C1=NN=CO1 D74898 [1,1,0,0,0,0|2,0,0]=4 87 B8R1.11 CC1=C(C=O)SN=C1 AT21137 [1,1,0,0,0,0|1,1,0]=4 88 B8R1.11 NC1=C(C=O)OC=C1 D74825 [1,1,0,0,0,0|0,0,0]=2 89 B8R1.11 O=CC1=C(Br)C=NS1 D75843 [1,1,0,0,0,0|1,1,0]=4 90 B8R1.11 O=CC1=C(Cl)C=CN1 P10927 [1,1,0,0,0,0|1,0,0]=3 91 B8R1.11 O=CC1=C(Cl)C=CO1 AC2692 [1,1,0,0,0,0|0,0,0]=2 92 B8R1.11 O=CC1=C(F)C=CS1 D74567 [1,1,0,0,0,0|0,1,0]=3 93 B8R1.11 O=CC1=CSC=C1F AT17070 [1,1,0,0,0,0|2,0,0]=4 94 B8R1.18 CC1=NC(C)=C(Br)O1 AT18671 [1,1,0,0,0,0|2,0,0]=4 95 B8R1.18 CN1OC(=O)C=C1N AT19693 [1,1,0,0,0,0|1,0,0]=3 96 B10R1.1 O=CCC1=CN=C(Br)C=C1 AC9639 [0,1,0,0,0,1|2,0,0]=4 97 B10R1.3 CCC1=NC=C(C=O)C=C1 53643 [0,1,0,0,0,1|1,0,0]=3 98 B10R1.13 O=C(F)C1=CC=C(F)C=C1 AT22483 [0,1,0,0,0,1|2,0,0]=4 99 B10R1.25 CC1=CC(Cl)=C(C=O)C=N1 AT24663 [0,1,0,0,0,1|1,0,0]=3 100 B10R1.25 CC1=CC(F)=CN=C1C=O P19560 [0,1,0,0,0,1|2,0,0]=4 101 B10R1.25 O=CC1=CN=C(Cl)C=C1O AC9110 [0,1,0,0,0,1|2,0,0]=4 102 B10R1.25 O=CC1=NC=C(Br)C=C1O AT21333 [0,1,0,0,0,1|2,0,0]=4 103 B10R1.176 NC1=C(Br)C=CC(C=O)=C1 AT23717 [0,1,0,0,0,1|2,0,0]=4 104 B10R1.176 O=CC1=CC(Br)=C(F)C=N1 AT22892 [0,1,0,0,0,1|2,0,0]=4 105 B10R1.176 O=CC1=CC(Cl)=C(F)C=N1 AT23488 [0,1,0,0,0,1|2,0,0]=4 106 B10R1.176 O=CC1=CC=C(F)C(Br)=N1 54870 [0,1,0,0,0,1|2,0,0]=4 107 B10R1.176 O=CC1=CNC(=O)C(I)=C1 D74794 [0,1,0,0,0,1|2,0,0]=4 108 B10R1.176 O=CC1=NC(F)=C(Br)C=C1 AT22890 [0,1,0,0,0,1|2,0,0]=4 109 B10R1.2 CC1=C(C=O)C=CN=C1F AC7965 [0,1,0,0,0,1|2,0,0]=4 110 B10R1.2 O=CC1=C(O)C(Br)=NC=C1 D73604 [0,1,0,0,0,1|2,0,0]=4 111 B10R1.2 O=CC1=CN=CC(Cl)=C1Br AT21625 [0,1,0,0,0,1|2,0,0]=4 112 B10R1.8 CC1=CC(C=O)=NC(C)=N1 P20556 [0,1,0,0,0,1|1,0,0]=3 113 B10R1.8 NC1=NC(C=O)=CC(Br)=C1 D75532 [0,1,0,0,0,1|2,0,0]=4 114 B10R1.8 O=CC1=NC(Cl)=CC(Cl)=N1 F19694 [0,1,0,0,0,1|2,0,0]=4 115 B10R1.30 CC1=CC(C=O)=C(F)C=N1 AT23100 [0,1,0,0,0,1|1,0,0]=3 116 B10R1.30 CC1=NC(C=O)=C(Br)C=C1 D72193 [0,1,0,0,0,1|1,0,0]=3 117 B10R1.30 O=CC1=C(Br)C=CC(Br)=N1 AC8056 [0,1,0,0,0,1|2,0,0]=4 118 B10R1.30 O=CC1=C(Br)C=CC(F)=N1 AC3278 [0,1,0,0,0,1|2,0,0]=4 119 B10R1.113 CC(=O)C1=NC(C)=CC=N1 P10715 [0,1,0,0,0,1|1,0,0]=3 120 B10R1.113 CC1=CC=CC([S@](=O)[O-])=C1 C14953 [0,1,0,0,0,1|2,0,0]=4 121 B10R1.172 COC1=CN=CC(C=O)=N1 P12239 [0,1,0,0,0,1|1,0,0]=3 122 B10R1.54 CC1=CN=C(CC(=O)[O-])O1 AT23460 [0,2,0,0,0,0|1,0,0]=3 123 B10R1.54 CC1=CN=C(CC(=O)[O-])O1 AT23461 [0,2,0,0,0,0|1,0,0]=3 124 B10R1.31 CCC1=CC=C(C(=O)O)N1 D74884 [0,2,0,0,0,0|1,0,0]=3 125 B10R1.31 NCC1=NC(C(=O)O)=CN1 AT15455 [0,2,0,0,0,0|2,0,0]=4 126 B10R1.31 O=C(O)C1=CSC(CCl)=N1 C77454 [0,2,0,0,0,0|2,0,0]=4 127 B10R1.31 O=CC1=NC=C(C(F)F)N1 D74803 [0,2,0,0,0,0|2,0,0]=4 128 B10R1.59 CC1=C(C(=O)O)OC(Br)=N1 O10680 [0,2,0,0,0,0|2,0,0]=4 129 B10R1.59 CC1=C(C(=O)O)OC(I)=N1 O10805 [0,2,0,0,0,0|2,0,0]=4 130 B10R1.59 CC1=CN(N)C(C(N)=O)=C1 P11521 [0,2,0,0,0,0|2,0,0]=4 131 B10R1.59 CC1=NC(C(=O)O)=C(Br)S1 AT26863 [0,2,0,0,0,0|2,0,0]=4 132 B10R1.59 CN1C=C(N)C(C(=O)O)=N1 AT14200 [0,2,0,0,0,0|2,0,0]=4 133 B10R1.59 O=C(O)C1=C(F)C=C(Br)S1 AT22754 [0,2,0,0,0,0|1,1,0]=4 134 B10R1.58 CN1N=C(C(=O)O)C=C1F E72900 [0,2,0,0,0,0|2,0,0]=4 135 B10R1.55 CC1=NC=C(S(=O)(=O)Cl)O1 AT18709 [0,2,0,0,0,0|2,0,0]=4 136 B10R1.55 O=S(=O)(Cl)C1=CC=C(Br)O1 AC8125 [0,2,0,0,0,0|2,0,0]=4 137 B10R1.55 O=S(=O)(Cl)C1=CC=C(Cl)O1 AT17344 [0,2,0,0,0,0|2,0,0]=4 138 B10R1.194 CC1=CN=C(C(=O)O)N1C AT22510 [0,2,0,0,0,0|2,0,0]=4 139 B10R1.194 CC1=CSC(C(=O)O)=C1N 35392 [0,2,0,0,0,0|2,0,0]=4 140 B8R1.5 O=C1OC=CC=C1Br AC1746 [0,0,1,1,0,0|2,0,0]=4