0 B8R1.7 CC(=O)C1=CC=NO1 I11392 [0,0,0,0,0,0|2,0,0]=2 1 B8R1.7 CC(=O)C1=CC=NO1 Y10704 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.7 CC(=O)C1=CC=NS1 62850 [0,0,0,0,0,0|2,0,0]=2 3 B8R1.7 CC(=O)C1=CN=CS1 66660 [0,0,0,0,0,0|2,0,0]=2 4 B8R1.7 CC(=O)C1=CN=NS1 66662 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.7 CC(=O)C1=CNN=C1 50308 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.7 CC(=O)C1=NC=CO1 33464 [0,0,0,0,0,0|1,0,1]=2 7 B8R1.7 CC(=O)C1=NOC=C1 33729 [0,0,0,0,0,0|1,0,1]=2 8 B8R1.7 CC(=O)[C@H]1NCCS1 C73779 [0,0,0,0,0,0|1,0,3]=4 9 B8R1.7 CC(C)C1=CC=CO1 81450 [0,0,0,0,0,0|2,0,1]=3 10 B8R1.7 CC(C)C1=CNC=N1 F30487 [0,0,0,0,0,0|2,0,2]=4 11 B8R1.7 CN(C)C1=NC=CS1 N10099 [0,0,0,0,0,0|3,0,1]=4 12 B8R1.7 C[C@H](N)C1=CC=CO1 Y10899 [0,0,0,0,0,0|2,0,1]=3 13 B8R1.7 C[C@H](N)C1=CC=CO1 Y12106 [0,0,0,0,0,0|2,0,1]=3 14 B8R1.7 C[C@H](N)C1=CC=CS1 82880 [0,0,0,0,0,0|2,0,1]=3 15 B8R1.7 C[C@H](N)C1=CC=CS1 D81260 [0,0,0,0,0,0|2,0,1]=3 16 B8R1.7 C[C@H](N)C1=CC=CS1 N11134 [0,0,0,0,0,0|2,0,1]=3 17 B8R1.7 C[C@H](N)C1=CC=CS1 N12970 [0,0,0,0,0,0|2,0,1]=3 18 B8R1.7 C[C@H](N)C1=CC=CS1 Y10683 [0,0,0,0,0,0|2,0,1]=3 19 B8R1.7 C[C@H](N)C1=CN=CS1 72023 [0,0,0,0,0,0|3,0,1]=4 20 B8R1.7 C[C@H](N)C1=CNC=N1 F13130 [0,0,0,0,0,0|2,0,2]=4 21 B8R1.7 C[C@H](N)C1=CSC=C1 27894 [0,0,0,0,0,0|3,0,1]=4 22 B8R1.7 C[C@H](N)C1=CSC=C1 Y14612 [0,0,0,0,0,0|3,0,1]=4 23 B8R1.7 C[C@H](N)C1=NC=CN1 72810 [0,0,0,0,0,0|2,0,1]=3 24 B8R1.7 C[C@H](N)C1=NC=CO1 33710 [0,0,0,0,0,0|2,0,2]=4 25 B8R1.7 C[C@H](N)C1=NC=CS1 20319 [0,0,0,0,0,0|2,0,2]=4 26 B8R1.7 C[C@H](N)C1=NC=CS1 20320 [0,0,0,0,0,0|2,0,2]=4 27 B8R1.7 C[C@H](N)C1=NNC=C1 AT26928 [0,0,0,0,0,0|2,0,2]=4 28 B8R1.7 C[C@H](N)C1=NNC=C1 C90952 [0,0,0,0,0,0|2,0,2]=4 29 B8R1.7 C[C@H](N)C1=NNC=C1 W11012 [0,0,0,0,0,0|2,0,2]=4 30 B8R1.7 C[C@H](O)C1=CN=CS1 AT14805 [0,0,0,0,0,0|2,0,2]=4 31 B8R1.7 C[C@H](O)C1=CNC=N1 71746 [0,0,0,0,0,0|1,0,3]=4 32 B8R1.7 C[C@H](O)C1=CSC=C1 79116 [0,0,0,0,0,0|2,0,2]=4 33 B8R1.7 C[C@H](O)C1=NNC=C1 AT15828 [0,0,0,0,0,0|1,0,3]=4 34 B8R1.7 N=C(N)C1=CC=CS1 C15965 [0,0,0,0,0,0|3,0,0]=3 35 B8R1.7 N=C(N)C1=NC=CN1 P15305 [0,0,0,0,0,0|3,0,0]=3 36 B8R1.7 N=C(N)C1=NC=CN1 P19492 [0,0,0,0,0,0|3,0,0]=3 37 B8R1.7 NC(=O)C1=CC=NO1 F30843 [0,0,0,0,0,0|3,0,0]=3 38 B8R1.7 NC(=O)C1=CN=CO1 78451 [0,0,0,0,0,0|3,0,0]=3 39 B8R1.7 NC(=O)C1=CN=CS1 D79735 [0,0,0,0,0,0|3,0,0]=3 40 B8R1.7 NC(=O)C1=COC=N1 35847 [0,0,0,0,0,0|2,0,1]=3 41 B8R1.7 NC(=O)C1=NC=CS1 A10602 [0,0,0,0,0,0|2,0,1]=3 42 B8R1.7 NC(=O)C1=NSC=C1 F14137 [0,0,0,0,0,0|2,0,1]=3 43 B8R1.7 NC(=S)C1=COC=N1 24414 [0,0,0,0,0,0|2,1,1]=4 44 B8R1.7 O=C(Cl)N1C=CC=N1 72878 [0,0,0,0,0,0|2,0,1]=3 45 B8R1.7 O=C(O)C1=CN=NN1 28556 [0,0,0,0,0,0|3,0,0]=3 46 B8R1.7 O=C(O)C1=CSN=C1 83094 [0,0,0,0,0,0|4,0,0]=4 47 B8R1.7 O=C(O)C1=NN=NN1 F19598 [0,0,0,0,0,0|4,0,0]=4 48 B8R1.7 O=C(O)C1=NNN=C1 O10789 [0,0,0,0,0,0|3,0,1]=4 49 B8R1.7 O=C(O)C1=NOC=N1 AC6968 [0,0,0,0,0,0|3,0,1]=4 50 B8R1.7 O=C(O)C1=NSC=C1 83207 [0,0,0,0,0,0|2,0,1]=3 51 B8R1.7 O=C(O)C1=NSN=C1 F16493 [0,0,0,0,0,0|3,0,1]=4 52 B8R1.7 O=[N+]([O-])C1=CC=CN1 26912 [0,0,0,0,0,0|2,0,0]=2 53 B8R1.7 O=[N+]([O-])C1=CNC=C1 29669 [0,0,0,0,0,0|4,0,0]=4 54 B8R1.7 OB(O)C1=NC=CN1 27428 [0,0,0,0,0,0|3,0,1]=4 55 B7R1.1 C=CC1=CC=CS1 C10114 [1,0,0,0,0,0|1,0,1]=3 56 B7R1.1 C=CC1=CN=CN1 D82417 [1,0,0,0,0,0|1,0,1]=3 57 B7R1.1 C=CC1=NNC=C1 P13173 [1,0,0,0,0,0|1,0,2]=4 58 B7R1.1 CNC1=NC=CO1 71780 [1,0,0,0,0,0|2,0,1]=4 59 B7R1.1 CNC1=NC=CS1 26158 [1,0,0,0,0,0|2,0,1]=4 60 B7R1.1 CNC1=NNC=C1 72540 [1,0,0,0,0,0|2,0,1]=4 61 B7R1.1 CNC1=NOC=C1 72015 [1,0,0,0,0,0|2,0,1]=4 62 B7R1.1 CNC1=NOC=C1 72539 [1,0,0,0,0,0|2,0,1]=4 63 B7R1.1 COC1=NNC=C1 D79536 [1,0,0,0,0,0|2,0,1]=4 64 B7R1.1 CSC1=CN=CN1 W17049 [1,0,0,0,0,0|2,0,0]=3 65 B7R1.1 CSC1=NC=CN1 AC1458 [1,0,0,0,0,0|2,0,0]=3 66 B7R1.1 CSC1=NC=CO1 O10533 [1,0,0,0,0,0|2,0,1]=4 67 B7R1.1 ClCC1=CC=CS1 79790 [1,0,0,0,0,0|2,0,1]=4 68 B7R1.1 NCC1=CC=CN1 25931 [1,0,0,0,0,0|1,0,1]=3 69 B7R1.1 NCC1=NC=CN1 C72548 [1,0,0,0,0,0|2,0,1]=4 70 B7R1.1 O=CC1=CC=C[Se]1 T72165 [1,0,0,0,0,0|1,0,0]=2 71 B7R1.1 O=CC1=CC=NS1 62852 [1,0,0,0,0,0|2,0,0]=3 72 B7R1.1 O=CC1=CCC=C1 77835 [1,0,0,0,0,0|1,0,1]=3 73 B7R1.1 O=CC1=CCCC1 26227 [1,0,0,0,0,0|1,0,2]=4 74 B7R1.1 O=CC1=CCCO1 D79895 [1,0,0,0,0,0|1,0,2]=4 75 B7R1.1 O=CC1=CN=CO1 39069 [1,0,0,0,0,0|2,0,0]=3 76 B7R1.1 O=CC1=CNN=N1 F13257 [1,0,0,0,0,0|2,0,1]=4 77 B7R1.1 O=CC1=CON=C1 95893 [1,0,0,0,0,0|3,0,0]=4 78 B7R1.1 O=CC1=NOC=C1 P10400 [1,0,0,0,0,0|1,0,1]=3 79 B9R1.11 CCC(=O)C1=CNC=N1 D93407 [0,1,0,0,0,0|1,0,1]=3 80 B9R1.11 CCC(=O)C1=COC=C1 N14291 [0,1,0,0,0,0|2,0,0]=3 81 B9R1.11 CCC(=O)C1=NC=CS1 F53520 [0,1,0,0,0,0|1,0,1]=3 82 B9R1.11 CC[C@H](N)C1=CC=CO1 N16694 [0,1,0,0,0,0|2,0,1]=4 83 B9R1.11 CNC(=O)C1=CN=CN1 P16942 [0,1,0,0,0,0|1,0,0]=2 84 B9R1.11 COC(=O)C1=CC=NS1 62854 [0,1,0,0,0,0|2,0,0]=3 85 B9R1.11 COC(=O)C1=CCSC1 T71209 [0,1,0,0,0,0|2,0,1]=4 86 B9R1.11 COC(=O)C1=COC=N1 22956 [0,1,0,0,0,0|1,0,1]=3 87 B9R1.11 COC(=O)C1=CSN=N1 W15897 [0,1,0,0,0,0|2,0,1]=4 88 B9R1.11 COC(=O)C1=NC=CO1 C74629 [0,1,0,0,0,0|1,0,1]=3 89 B9R1.11 C[C@@H](CO)C1=NC=CN1 A10618 [0,1,0,0,0,0|1,0,2]=4 90 B9R1.11 NNC(=O)C1=CN=CO1 D79940 [0,1,0,0,0,0|3,0,0]=4 91 B9R1.11 NNC(=O)C1=CN=CS1 D79739 [0,1,0,0,0,0|3,0,0]=4 92 B9R1.11 NNC(=O)C1=NC=CS1 78397 [0,1,0,0,0,0|2,0,1]=4 93 B9R1.11 N[C@@H](CO)C1=CC=CS1 F16920 [0,1,0,0,0,0|2,0,1]=4 94 B9R1.11 N[C@@H](CO)C1=CC=CS1 Y11116 [0,1,0,0,0,0|2,0,1]=4 95 B9R1.11 O=C(CBr)C1=CC=CO1 D79351 [0,1,0,0,0,0|1,0,0]=2 96 B9R1.11 O=C(CO)C1=CC=CO1 AC4738 [0,1,0,0,0,0|1,0,0]=2 97 B9R1.11 O=CC(=O)C1=CC=CO1 D94856 [0,1,0,0,0,0|1,0,1]=3 98 B9R1.11 OC[C@H](O)C1=CC=CO1 I11131 [0,1,0,0,0,0|1,0,2]=4 99 B9R1.19 CC(C)(C)C1=CC=CS1 AC4668 [0,1,0,0,0,0|2,0,1]=4 100 B9R1.19 CC(C)(O)C1=NC=CN1 W17929 [0,1,0,0,0,0|1,0,2]=4 101 B9R1.19 O=S(=O)(Cl)C1=NC=CN1 C16572 [0,1,0,0,0,0|3,0,0]=4 102 B9R1.19 O=S(=O)(O)C1=CC=CS1 C76553 [0,1,0,0,0,0|3,0,0]=4 103 B9R1.35 CC(=O)C1=CN=C(Cl)S1 F13142 [0,1,0,0,0,0|2,0,0]=3 104 B9R1.35 CC(=O)C1=CNC(C)=C1 C75858 [0,1,0,0,0,0|2,0,0]=3 105 B9R1.35 CC(=O)C1=CSC(Br)=C1 25953 [0,1,0,0,0,0|2,0,0]=3 106 B9R1.35 CC(=O)C1=CSC(Br)=N1 51523 [0,1,0,0,0,0|1,0,1]=3 107 B9R1.35 CC(=O)C1=CSC(C)=N1 A12305 [0,1,0,0,0,0|1,0,1]=3 108 B9R1.35 CC(=O)C1=CSC(Cl)=C1 37629 [0,1,0,0,0,0|2,0,0]=3 109 B9R1.35 CC(=O)C1=CSC(N)=N1 35110 [0,1,0,0,0,0|1,0,1]=3 110 B9R1.35 CC(=O)C1=NC(Br)=CS1 C15281 [0,1,0,0,0,0|1,0,1]=3 111 B9R1.35 CC(=O)C1=NC(C)=CO1 36487 [0,1,0,0,0,0|1,0,1]=3 112 B9R1.35 CC(=O)C1=NC=C(Br)S1 P10802 [0,1,0,0,0,0|1,0,1]=3 113 B9R1.35 CC(=O)C1=NC=C(C)S1 78720 [0,1,0,0,0,0|1,0,1]=3 114 B9R1.35 CC(=O)C1=NC=C(Cl)S1 P10801 [0,1,0,0,0,0|1,0,1]=3 115 B9R1.35 CC(=O)C1=NN(C)C=C1 P10302 [0,1,0,0,0,0|1,0,1]=3 116 B9R1.35 CC(=O)C1=NNC(C)=C1 Y10230 [0,1,0,0,0,0|1,0,1]=3 117 B9R1.35 CC(=O)C1=NOC(C)=C1 72215 [0,1,0,0,0,0|1,0,1]=3 118 B9R1.35 CC(=O)C1=NOC(N)=C1 88477 [0,1,0,0,0,0|1,0,1]=3 119 B9R1.35 CC(=O)N1C=CC(=O)N1 C76740 [0,1,0,0,0,0|1,0,0]=2 120 B9R1.35 CC1=CC(C(=O)O)=CS1 BL001054 [0,1,0,0,0,0|3,0,0]=4 121 B9R1.35 CC1=CC(C(=O)O)=NS1 AT21128 [0,1,0,0,0,0|2,0,1]=4 122 B9R1.35 CC1=CN=C(C(=O)[O-])O1 P15538 [0,1,0,0,0,0|2,0,1]=4 123 B9R1.35 CC1=CNC(C(=O)O)=N1 C16255 [0,1,0,0,0,0|2,0,0]=3 124 B9R1.35 CC1=CNC(C(=O)O)=N1 Y11423 [0,1,0,0,0,0|2,0,0]=3 125 B9R1.35 CC1=CNC(C(C)C)=N1 F31131 [0,1,0,0,0,0|2,0,1]=4 126 B9R1.35 CC1=NC(C(N)=O)=CO1 D72598 [0,1,0,0,0,0|2,0,1]=4 127 B9R1.35 CC1=NC(C(N)=O)=CS1 F19208 [0,1,0,0,0,0|2,0,1]=4 128 B9R1.35 CC1=NC=C(C(=O)O)O1 F13461 [0,1,0,0,0,0|3,0,0]=4 129 B9R1.35 CN1C=CC(C(=O)O)=C1 26121 [0,1,0,0,0,0|3,0,0]=4 130 B9R1.35 CN1C=CC(C(N)=O)=N1 Y10580 [0,1,0,0,0,0|2,0,1]=4 131 B9R1.35 C[C@H](N)C1=CC(Br)=CS1 D81119 [0,1,0,0,0,0|2,0,1]=4 132 B9R1.35 C[C@H](N)C1=CC=C(Br)O1 Y11515 [0,1,0,0,0,0|2,0,1]=4 133 B9R1.35 C[C@H](N)C1=CC=C(Br)O1 Y13452 [0,1,0,0,0,0|2,0,1]=4 134 B9R1.35 NC(=O)C1=CC(Br)=CN1 C73743 [0,1,0,0,0,0|1,0,0]=2 135 B9R1.35 NC(=O)C1=CC(Br)=CO1 C77306 [0,1,0,0,0,0|2,0,0]=3 136 B9R1.35 NC(=O)C1=CC=C(Br)N1 38755 [0,1,0,0,0,0|1,0,0]=2 137 B9R1.35 NC(=O)C1=CC=C(N)S1 C90315 [0,1,0,0,0,0|2,0,0]=3 138 B9R1.35 NC(=O)C1=CN=C(Br)S1 S10763 [0,1,0,0,0,0|3,0,0]=4 139 B9R1.35 NC(=O)C1=COC(Cl)=N1 D94445 [0,1,0,0,0,0|2,0,1]=4 140 B9R1.35 NC(=O)C1=NC(Br)=CN1 D94566 [0,1,0,0,0,0|2,0,0]=3 141 B9R1.35 NC1=CNC(C(=O)O)=C1 F14489 [0,1,0,0,0,0|1,0,0]=2 142 B9R1.35 NC1=CNC(C(=O)O)=N1 D94530 [0,1,0,0,0,0|2,0,0]=3 143 B9R1.35 NC1=NC(C(=O)O)=CN1 F14481 [0,1,0,0,0,0|2,0,1]=4 144 B9R1.35 NC1=NC(C(=O)O)=CO1 38367 [0,1,0,0,0,0|2,0,1]=4 145 B9R1.35 O=C(O)C1=CC(Br)=CO1 25418 [0,1,0,0,0,0|2,0,0]=3 146 B9R1.35 O=C(O)C1=CC(Br)=NN1 D80317 [0,1,0,0,0,0|2,0,0]=3 147 B9R1.35 O=C(O)C1=CC(Br)=NO1 69280 [0,1,0,0,0,0|3,0,0]=4 148 B9R1.35 O=C(O)C1=CC(Cl)=CS1 24303 [0,1,0,0,0,0|2,0,0]=3 149 B9R1.35 O=C(O)C1=CC(F)=CS1 C10503 [0,1,0,0,0,0|2,0,0]=3 150 B9R1.35 O=C(O)C1=CC(I)=CN1 86089 [0,1,0,0,0,0|1,0,0]=2 151 B9R1.35 O=C(O)C1=CC=C(F)S1 83084 [0,1,0,0,0,0|2,0,0]=3 152 B9R1.35 O=C(O)C1=CC=C(I)S1 C75812 [0,1,0,0,0,0|2,0,0]=3 153 B9R1.35 O=C(O)C1=CNC(Cl)=C1 72647 [0,1,0,0,0,0|3,0,0]=4 154 B9R1.35 O=C(O)C1=COC(Cl)=N1 Y10043 [0,1,0,0,0,0|2,0,1]=4 155 B9R1.35 O=C(O)C1=COC(I)=N1 D95450 [0,1,0,0,0,0|2,0,1]=4 156 B9R1.35 O=C(O)C1=CSC(Cl)=C1 24618 [0,1,0,0,0,0|3,0,0]=4 157 B9R1.35 O=C(O)C1=NC=C(Br)S1 FD9045 [0,1,0,0,0,0|2,0,1]=4 158 B9R1.35 O=C(O)C1=NC=C(Cl)S1 P10902 [0,1,0,0,0,0|2,0,1]=4 159 B9R1.35 O=C(O)C1=NNC(Cl)=C1 20415 [0,1,0,0,0,0|2,0,1]=4 160 B9R1.35 O=C(O)C1=NNC(O)=C1 C77021 [0,1,0,0,0,0|2,0,1]=4 161 B9R1.35 O=C(O)C1=NOC(Cl)=C1 D80865 [0,1,0,0,0,0|2,0,1]=4 162 B9R1.35 O=[N+]([O-])C1=CC(Br)=CS1 W17186 [0,1,0,0,0,0|3,0,0]=4 163 B9R1.35 O=[N+]([O-])C1=CC(Cl)=NN1 F31401 [0,1,0,0,0,0|3,0,0]=4 164 B9R1.35 O=[N+]([O-])C1=CC(F)=NN1 D84798 [0,1,0,0,0,0|3,0,0]=4 165 B9R1.35 O=[N+]([O-])C1=CC=C(Br)O1 AC1555 [0,1,0,0,0,0|3,0,0]=4 166 B9R1.35 O=[N+]([O-])C1=NC(Br)=CN1 F10417 [0,1,0,0,0,0|3,0,0]=4 167 B9R1.41 CC(=O)C1=C(C)SC=N1 C72473 [0,1,0,0,0,0|1,0,1]=3 168 B9R1.41 CC(=O)C1=CN=CN1C W13364 [0,1,0,0,0,0|1,0,0]=2 169 B9R1.41 CC(=O)C1=CNC=C1C W17613 [0,1,0,0,0,0|2,0,0]=3 170 B9R1.41 CC(=O)C1=NC=CN1C 38319 [0,1,0,0,0,0|1,0,0]=2 171 B9R1.41 CC1=C(C(=O)O)C=CN1 W10234 [0,1,0,0,0,0|3,0,0]=4 172 B9R1.41 CN1C=CN=C1C(=N)N 38078 [0,1,0,0,0,0|3,0,0]=4 173 B9R1.41 CN1C=NC=C1C(=O)Cl 64255 [0,1,0,0,0,0|2,0,0]=3 174 B9R1.41 CN1N=CC=C1C(=O)Cl 79490 [0,1,0,0,0,0|2,0,0]=3 175 B9R1.41 CN1N=CC=C1C(N)=O D86182 [0,1,0,0,0,0|2,0,0]=3 176 B9R1.41 CN1N=CN=C1C(=O)O 72096 [0,1,0,0,0,0|3,0,0]=4 177 B9R1.41 CN1N=NC=C1C(=O)O 27409 [0,1,0,0,0,0|3,0,0]=4 178 B9R1.41 NC(=O)C1=C(N)C=NN1 54585 [0,1,0,0,0,0|2,0,0]=3 179 B9R1.41 NC(=O)C1=C(N)NC=N1 C13072 [0,1,0,0,0,0|2,0,1]=4 180 B9R1.41 NC(=O)C1=C(N)SC=N1 SC3371 [0,1,0,0,0,0|2,0,1]=4 181 B9R1.41 NC(=O)C1=CC=CN1N P15055 [0,1,0,0,0,0|1,0,0]=2 182 B9R1.41 NC(=O)C1=CN=CN1N P18323 [0,1,0,0,0,0|2,0,0]=3 183 B9R1.41 NC(=O)C1=NNC=C1Br 25218 [0,1,0,0,0,0|2,0,1]=4 184 B9R1.41 O=C(O)C1=C(Br)C=CN1 C10492 [0,1,0,0,0,0|1,0,0]=2 185 B9R1.41 O=C(O)C1=C(Br)C=CO1 71103 [0,1,0,0,0,0|2,0,0]=3 186 B9R1.41 O=C(O)C1=C(Br)N=CS1 88253 [0,1,0,0,0,0|3,0,0]=4 187 B9R1.41 O=C(O)C1=C(Br)NC=N1 D86912 [0,1,0,0,0,0|2,0,1]=4 188 B9R1.41 O=C(O)C1=C(Cl)C=NN1 W10253 [0,1,0,0,0,0|2,0,0]=3 189 B9R1.41 O=C(O)C1=C(Cl)C=NS1 S11450 [0,1,0,0,0,0|3,0,0]=4 190 B9R1.41 O=C(O)C1=C(Cl)OC=C1 W18500 [0,1,0,0,0,0|3,0,0]=4 191 B9R1.41 O=C(O)C1=C(Cl)SC=C1 27789 [0,1,0,0,0,0|3,0,0]=4 192 B9R1.41 O=C(O)C1=C(F)C=CN1 91531 [0,1,0,0,0,0|1,0,0]=2 193 B9R1.41 O=C(O)C1=C(I)SC=C1 A11648 [0,1,0,0,0,0|3,0,0]=4 194 B9R1.41 O=C(O)C1=C(O)C=CS1 Y10188 [0,1,0,0,0,0|2,0,0]=3 195 B9R1.41 O=C(O)C1=NNC=C1Cl 24966 [0,1,0,0,0,0|2,0,1]=4 196 B9R1.41 O=C(O)C1=NNC=C1F C91234 [0,1,0,0,0,0|2,0,1]=4 197 B7R0.4 C\C=C/C=C/C(=O)O D86563 [0,0,1,0,0,0|2,0,0]=3 198 B7R0.5 C=CC[C@H](N)C(=O)O 67602 [0,0,1,0,0,0|1,0,2]=4 199 B9R2.2 C1=CNC(C2CC2)=N1 31955 [0,0,0,1,0,0|2,0,1]=4 200 B9R2.2 C1=NC=C(C2CC2)N1 51747 [0,0,0,1,0,0|2,0,1]=4 201 B7R1.18 O=C(O)C1=CCC1 P16818 [0,0,0,0,1,0|1,0,2]=4 202 B9R1.6 C=C(C)C1=NC=CC=C1 W17791 [0,0,0,0,0,1|1,0,1]=3 203 B9R1.6 CC(=O)C1=NN=CC=C1 37064 [0,0,0,0,0,1|0,0,1]=2 204 B9R1.6 C[C@H](Cl)C1=NC=CC=C1 F13294 [0,0,0,0,0,1|1,0,2]=4 205 B9R1.6 C[C@H](N)C1=CC=CC=C1 D77753 [0,0,0,0,0,1|2,0,1]=4 206 B9R1.6 C[C@H](N)C1=CC=CN=C1 20316 [0,0,0,0,0,1|1,0,2]=4 207 B9R1.6 C[C@H](N)C1=CC=CN=C1 74003 [0,0,0,0,0,1|1,0,2]=4 208 B9R1.6 C[C@H](N)C1=CC=CN=C1 74005 [0,0,0,0,0,1|1,0,2]=4 209 B9R1.6 C[C@H](N)C1=CC=CN=C1 F31031 [0,0,0,0,0,1|1,0,2]=4 210 B9R1.6 C[C@H](N)C1=CC=CN=C1 F31032 [0,0,0,0,0,1|1,0,2]=4 211 B9R1.6 C[C@H](N)C1=CC=NC=C1 F31033 [0,0,0,0,0,1|2,0,1]=4 212 B9R1.6 C[C@H](N)C1=CC=NC=C1 N10538 [0,0,0,0,0,1|2,0,1]=4 213 B9R1.6 C[C@H](N)C1=NC=CC=N1 C90214 [0,0,0,0,0,1|1,0,2]=4 214 B9R1.6 C[C@H](N)C1=NC=CC=N1 C90215 [0,0,0,0,0,1|1,0,2]=4 215 B9R1.6 C[C@H](N)C1=NC=CC=N1 C90324 [0,0,0,0,0,1|1,0,2]=4 216 B9R1.6 C[C@H](N)C1=NC=CC=N1 S11170 [0,0,0,0,0,1|1,0,2]=4 217 B9R1.6 C[C@H](N)C1=NC=CN=C1 24931 [0,0,0,0,0,1|1,0,2]=4 218 B9R1.6 C[C@H](O)C1=NC=CC=C1 A11519 [0,0,0,0,0,1|0,0,3]=4 219 B9R1.6 C[C@H](O)C1=NC=CC=C1 C16040 [0,0,0,0,0,1|0,0,3]=4 220 B9R1.6 C[C@H](O)C1=NC=CC=N1 72303 [0,0,0,0,0,1|0,0,3]=4 221 B9R1.6 C[C@H](O)C1=NC=CC=N1 P19373 [0,0,0,0,0,1|0,0,3]=4 222 B9R1.6 C[C@H](O)C1=NC=CC=N1 P20178 [0,0,0,0,0,1|0,0,3]=4 223 B9R1.6 C[C@H](O)C1=NC=CN=C1 D82306 [0,0,0,0,0,1|0,0,3]=4 224 B9R1.6 C[S@](=O)C1=NC=CC=C1 C74099 [0,0,0,0,0,1|1,0,1]=3 225 B9R1.6 N=C(N)C1=NC=CC=C1 71518 [0,0,0,0,0,1|2,0,1]=4 226 B9R1.6 N=C(N)C1=NC=CC=N1 D74674 [0,0,0,0,0,1|2,0,1]=4 227 B9R1.6 NC(=O)C1=CN=CN=C1 F13864 [0,0,0,0,0,1|2,0,1]=4 228 B9R1.6 NC(=O)C1=CN=NC=C1 F14288 [0,0,0,0,0,1|2,0,1]=4 229 B9R1.6 NC(=O)C1=NC=NC=C1 C74468 [0,0,0,0,0,1|1,0,1]=3 230 B9R1.6 NC(=O)C1=NN=CC=C1 F30255 [0,0,0,0,0,1|1,0,1]=3 231 B9R1.6 O=C(Cl)C1=NN=CC=C1 D93513 [0,0,0,0,0,1|1,0,1]=3 232 B9R1.6 O=C([O-])C1=NC=CC=N1 65419 [0,0,0,0,0,1|1,0,1]=3 233 B9R1.6 O=C([O-])C1=NN=CC=N1 67095 [0,0,0,0,0,1|2,0,1]=4 234 B9R1.6 O=[S@]([O-])C1=NC=CC=C1 AT11818 [0,0,0,0,0,1|2,0,1]=4 235 B9R1.13 CC(=O)CC1=CC=CS1 W16827 [0,0,0,0,0,1|1,0,0]=2 236 B9R1.13 CN(C)CC1=CC=CN1 AC2500 [0,0,0,0,0,1|2,0,0]=3 237 B9R1.13 O=C(O)CC1=CC=CN1 29609 [0,0,0,0,0,1|1,0,0]=2 238 B9R1.13 O=C(O)CC1=CC=CO1 W10208 [0,0,0,0,0,1|2,0,0]=3 239 B9R1.13 O=C(O)CC1=CC=NO1 AC1452 [0,0,0,0,0,1|3,0,0]=4 240 B9R1.13 O=C(O)CC1=CCC=C1 78226 [0,0,0,0,0,1|2,0,1]=4 241 B9R1.13 O=C(O)CC1=CN=CS1 P10574 [0,0,0,0,0,1|3,0,0]=4 242 B9R1.13 O=C(O)CC1=CNC=C1 65416 [0,0,0,0,0,1|3,0,0]=4 243 B9R1.13 O=C(O)CC1=CNC=N1 C16158 [0,0,0,0,0,1|2,0,1]=4 244 B9R1.13 O=C(O)CC1=NC=CN1 F17266 [0,0,0,0,0,1|2,0,0]=3 245 B9R1.13 O=C(O)CC1=NC=CS1 26228 [0,0,0,0,0,1|2,0,1]=4 246 B9R1.13 O=C(O)CC1=NC=NN1 38467 [0,0,0,0,0,1|3,0,0]=4 247 B9R1.13 O=C(O)CC1=NNC=C1 71426 [0,0,0,0,0,1|2,0,1]=4 248 B9R1.13 O=C(O)CC1=NOC=C1 Y10092 [0,0,0,0,0,1|2,0,1]=4 249 B6R0.3 C=C[C@H](N)C(=O)O 33352 [1,0,1,0,0,0|1,0,1]=4 250 B6R0.3 C=C[C@H](N)C(=O)O 39549 [1,0,1,0,0,0|1,0,1]=4 251 B6R1.2 CC1=CC=CN1 23756 [2,0,0,0,0,0|0,0,0]=2 252 B6R1.2 CC1=CNC=C1 59365 [2,0,0,0,0,0|2,0,0]=4 253 B6R1.2 CC1=COC=C1 W18310 [2,0,0,0,0,0|2,0,0]=4 254 B6R1.2 CC1=NOC=C1 35767 [2,0,0,0,0,0|1,0,1]=4 255 B6R1.2 ClC1=NC=CN1 71370 [2,0,0,0,0,0|2,0,0]=4 256 B6R1.2 FC1=CC=NN1 P13416 [2,0,0,0,0,0|2,0,0]=4 257 B6R1.2 FC1=CN=CN1 71921 [2,0,0,0,0,0|2,0,0]=4 258 B6R1.2 O=C1C=CCN1 AC1277 [2,0,0,0,0,0|0,0,1]=3 259 B6R1.2 SC1=CC=CS1 23061 [2,0,0,0,0,0|1,1,0]=4 260 B8R0.3 C=CC[C@H](N)C(=O)OC 50494 [0,1,1,0,0,0|0,0,2]=4 261 B8R0.3 C=CC[C@H](N)C(=O)OC 78270 [0,1,1,0,0,0|0,0,2]=4 262 B8R1.1 CC1=CC(C=O)=CS1 P15425 [1,1,0,0,0,0|2,0,0]=4 263 B8R1.1 CC1=CC=C(C=O)N1 29847 [1,1,0,0,0,0|0,0,0]=2 264 B8R1.1 CC1=CN=C(C=O)S1 25174 [1,1,0,0,0,0|1,0,1]=4 265 B8R1.1 CC1=CNC(C=O)=C1 D84258 [1,1,0,0,0,0|0,0,0]=2 266 B8R1.1 CC1=CNC(C=O)=N1 23109 [1,1,0,0,0,0|1,0,0]=3 267 B8R1.1 CC1=COC(C=O)=N1 P10997 [1,1,0,0,0,0|1,0,1]=4 268 B8R1.1 CC1=NC=C(C=O)O1 C10143 [1,1,0,0,0,0|2,0,0]=4 269 B8R1.1 CC1=NN=C(C=O)N1 AC2083 [1,1,0,0,0,0|2,0,0]=4 270 B8R1.1 CCC1=CC=C(C)O1 A12137 [1,1,0,0,0,0|1,0,1]=4 271 B8R1.1 CN1C=CC(C=O)=C1 AT16322 [1,1,0,0,0,0|2,0,0]=4 272 B8R1.1 N#CC1=CC(Br)=CN1 D73299 [1,1,0,0,0,0|1,0,1]=4 273 B8R1.1 N#CC1=CC=C(Br)N1 D82532 [1,1,0,0,0,0|1,0,1]=4 274 B8R1.1 O=CC1=CC(Br)=NO1 69281 [1,1,0,0,0,0|2,0,0]=4 275 B8R1.1 O=CC1=CC(I)=CS1 Y10451 [1,1,0,0,0,0|1,0,0]=3 276 B8R1.1 O=CC1=CC=C(Br)N1 O11353 [1,1,0,0,0,0|0,0,0]=2 277 B8R1.1 O=CC1=CC=C(Cl)N1 D95169 [1,1,0,0,0,0|0,0,0]=2 278 B8R1.1 O=CC1=CNC(Br)=C1 F13792 [1,1,0,0,0,0|2,0,0]=4 279 B8R1.1 O=CC1=COC(Br)=N1 AT11059 [1,1,0,0,0,0|1,0,1]=4 280 B8R1.1 O=CC1=CSC(Br)=C1 P10686 [1,1,0,0,0,0|2,0,0]=4 281 B8R1.1 O=CC1=CSC(Cl)=C1 37628 [1,1,0,0,0,0|2,0,0]=4 282 B8R1.1 O=CC1=CSC(Cl)=N1 25211 [1,1,0,0,0,0|1,0,1]=4 283 B8R1.1 O=CC1=NC=C(Cl)S1 38230 [1,1,0,0,0,0|1,0,1]=4 284 B8R1.8 COCC1=CN=CN1 AC8003 [1,1,0,0,0,0|1,0,1]=4 285 B8R1.8 NCCC1=CC=CN1 31556 [1,1,0,0,0,0|0,0,1]=3 286 B8R1.8 NCCC1=CC=CN1 F10331 [1,1,0,0,0,0|0,0,1]=3 287 B8R1.8 NCCC1=NC=CN1 F18351 [1,1,0,0,0,0|1,0,1]=4 288 B8R1.8 OCCC1=CC=CN1 AB10351 [1,1,0,0,0,0|0,0,1]=3 289 B8R1.8 OCCC1=CC=CO1 W10532 [1,1,0,0,0,0|1,0,1]=4 290 B8R1.11 C=CC1=NC=CN1C D84862 [1,1,0,0,0,0|1,0,1]=4 291 B8R1.11 CC1=C(C=O)N=CS1 F12255 [1,1,0,0,0,0|1,0,1]=4 292 B8R1.11 CC1=C(C=O)OC=N1 AT18679 [1,1,0,0,0,0|2,0,0]=4 293 B8R1.11 CC1=CON=C1C=O W10337 [1,1,0,0,0,0|1,0,1]=4 294 B8R1.11 CC1=CSC=C1C=O P16095 [1,1,0,0,0,0|2,0,0]=4 295 B8R1.11 CN1C=CC=C1CN 88916 [1,1,0,0,0,0|1,0,1]=4 296 B8R1.11 CN1C=CC=C1CO D82110 [1,1,0,0,0,0|0,0,2]=4 297 B8R1.11 CN1N=CN=C1C=O 97733 [1,1,0,0,0,0|2,0,0]=4 298 B8R1.11 CN1N=NC=C1C=O 92411 [1,1,0,0,0,0|2,0,0]=4 299 B8R1.11 O=CC1=C(Br)C=CN1 P11326 [1,1,0,0,0,0|0,0,0]=2 300 B8R1.11 O=CC1=C(Br)C=NN1 F13682 [1,1,0,0,0,0|1,0,0]=3 301 B8R1.11 O=CC1=C(Br)N=CS1 88252 [1,1,0,0,0,0|2,0,0]=4 302 B8R1.11 O=CC1=C(Br)NC=N1 C75380 [1,1,0,0,0,0|1,0,1]=4 303 B8R1.11 O=CC1=C(Br)SC=C1 57105 [1,1,0,0,0,0|2,0,0]=4 304 B8R1.11 O=CC1=C(Cl)C=NN1 D86408 [1,1,0,0,0,0|1,0,0]=3 305 B8R1.11 O=CC1=C(Cl)N=CS1 27650 [1,1,0,0,0,0|2,0,0]=4 306 B8R1.11 O=CC1=C(Cl)SC=C1 A11316 [1,1,0,0,0,0|2,0,0]=4 307 B8R1.11 O=CC1=C(I)SC=C1 C73596 [1,1,0,0,0,0|2,0,0]=4 308 B8R1.11 O=CC1=NSC=C1Br AT21087 [1,1,0,0,0,0|1,0,1]=4 309 B10R1.13 C=C(C)C1=CC=C(I)C=C1 AC1339 [0,1,0,0,0,1|2,0,0]=4 310 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 AC7918 [0,1,0,0,0,1|1,0,0]=3 311 B10R1.13 CC(=O)C1=CN=C(O)N=C1 F13147 [0,1,0,0,0,1|1,0,1]=4 312 B10R1.13 CC(=O)C1=NC=C(Br)C=N1 38376 [0,1,0,0,0,1|0,0,1]=3 313 B10R1.13 CC(=O)C1=NC=C(C)C=N1 79366 [0,1,0,0,0,1|0,0,1]=3 314 B10R1.13 CC(=O)C1=NC=C(C)N=C1 56571 [0,1,0,0,0,1|0,0,1]=3 315 B10R1.13 CC(=O)C1=NC=C(N)C=C1 D94999 [0,1,0,0,0,1|0,0,1]=3 316 B10R1.13 CC(=O)C1=NC=C(O)C=C1 53717 [0,1,0,0,0,1|0,0,1]=3 317 B10R1.13 CC(=O)C1=NC=C(O)N=C1 C71512 [0,1,0,0,0,1|0,0,1]=3 318 B10R1.13 CC(=O)C1=NN=C(Cl)C=C1 P10979 [0,1,0,0,0,1|0,0,1]=3 319 B10R1.13 CC(C)C1=NNC(=O)C=C1 65672 [0,1,0,0,0,1|1,0,1]=4 320 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 T73083 [0,1,0,0,0,1|2,0,0]=4 321 B10R1.13 CC1=CCC(C(=O)O)=CC1 A12608 [0,1,0,0,0,1|2,0,0]=4 322 B10R1.13 CC1=CN=C(C(=O)O)N=C1 RB3298 [0,1,0,0,0,1|1,0,1]=4 323 B10R1.13 C[S@](=O)C1=NC=C(Br)C=N1 O11358 [0,1,0,0,0,1|1,0,1]=4 324 B10R1.13 NC(=O)C1=CN=C(O)C=C1 C74893 [0,1,0,0,0,1|1,0,1]=4 325 B10R1.13 NC(=O)C1=NC=C(N)C=C1 25630 [0,1,0,0,0,1|1,0,1]=4 326 B10R1.13 NC(=O)C1=NC=C(N)C=N1 30495 [0,1,0,0,0,1|1,0,1]=4 327 B10R1.13 NC(=O)C1=NC=C(N)N=C1 W17933 [0,1,0,0,0,1|1,0,1]=4 328 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 A11465 [0,1,0,0,0,1|2,0,0]=4 329 B10R1.13 NC1=CN=C(C(=O)O)N=C1 P10377 [0,1,0,0,0,1|1,0,1]=4 330 B10R1.13 O=C(O)C1=CN=C(F)C=N1 70428 [0,1,0,0,0,1|1,0,1]=4 331 B10R1.13 O=C(O)C1=NC=C(F)C=N1 38641 [0,1,0,0,0,1|1,0,1]=4 332 B10R1.13 O=C(O)C1=NC=C(I)C=C1 O11456 [0,1,0,0,0,1|1,0,1]=4 333 B10R1.13 O=C(O)C1=NN=C(Br)C=C1 P10335 [0,1,0,0,0,1|1,0,1]=4 334 B10R1.13 O=C(O)C1=NN=C(O)C=C1 C73877 [0,1,0,0,0,1|1,0,1]=4 335 B10R1.13 O=C1N=CC(C(=O)O)=CN1 P13001 [0,1,0,0,0,1|2,0,0]=4 336 B10R1.15 C=C(CBr)C1=CC=CC=C1 35089 [0,1,0,0,0,1|2,0,0]=4 337 B10R1.15 C=C(CC)C1=CC=CC=C1 C73845 [0,1,0,0,0,1|2,0,0]=4 338 B10R1.15 C=CC(=O)C1=CC=CC=C1 77875 [0,1,0,0,0,1|1,0,1]=4 339 B10R1.15 CCC(=O)C1=NC=CN=C1 P11366 [0,1,0,0,0,1|0,0,1]=3 340 B10R1.15 CN(C=O)C1=NC=CC=C1 A12745 [0,1,0,0,0,1|1,0,1]=4 341 B10R1.15 COC(=O)C1=CCCNC1 AC6481 [0,1,0,0,0,1|0,0,2]=4 342 B10R1.15 COC(=O)C1=CN=NC=C1 23653 [0,1,0,0,0,1|1,0,1]=4 343 B10R1.15 O=C(CBr)C1=CN=CC=C1 D82267 [0,1,0,0,0,1|0,0,1]=3 344 B10R1.15 O=C(CBr)C1=NC=CC=N1 P17109 [0,1,0,0,0,1|0,0,1]=3 345 B10R1.15 O=C(CBr)C1=NC=CN=C1 FD7249 [0,1,0,0,0,1|0,0,1]=3 346 B10R1.15 O=C(CO)C1=NC=CC=C1 AC7454 [0,1,0,0,0,1|0,0,1]=3 347 B10R1.15 O=C(NO)C1=CN=CC=C1 F17466 [0,1,0,0,0,1|1,0,1]=4 348 B10R1.28 CS(=O)(=O)C1=CC=NC=C1 C15067 [0,1,0,0,0,1|2,0,0]=4 349 B10R1.28 CS(=O)(=O)C1=NC=CC=N1 O10532 [0,1,0,0,0,1|1,0,1]=4 350 B10R1.28 C[S@](=N)(=O)C1=CC=CC=C1 W16234 [0,1,0,0,0,1|2,0,0]=4 351 B10R1.61 C=C(C)C1=C(Br)C=CC=C1 W17018 [0,1,0,0,0,1|2,0,0]=4 352 B10R1.61 CC(=O)C1=C(Br)C=CC=N1 80328 [0,1,0,0,0,1|0,0,1]=3 353 B10R1.61 CC(=O)C1=C(Br)C=NC=N1 26989 [0,1,0,0,0,1|0,0,1]=3 354 B10R1.61 CC(=O)C1=C(C)N=CC=C1 C73307 [0,1,0,0,0,1|0,0,1]=3 355 B10R1.61 CC(=O)C1=C(C)N=CN=C1 O10297 [0,1,0,0,0,1|1,0,1]=4 356 B10R1.61 CC(=O)C1=C(Cl)C=CC=N1 27067 [0,1,0,0,0,1|0,0,1]=3 357 B10R1.61 CC(=O)C1=C(Cl)C=CN=C1 Y14823 [0,1,0,0,0,1|0,0,1]=3 358 B10R1.61 CC(=O)C1=C(Cl)C=NC=C1 N12959 [0,1,0,0,0,1|1,0,0]=3 359 B10R1.61 CC(=O)C1=C(N)N=CN=C1 D80245 [0,1,0,0,0,1|1,0,1]=4 360 B10R1.61 CC(=O)C1=C(O)C=NC=C1 27646 [0,1,0,0,0,1|1,0,0]=3 361 B10R1.61 CC(=O)C1=C(O)N=CC=C1 93481 [0,1,0,0,0,1|0,0,1]=3 362 B10R1.61 CC(=O)C1=CC=CN=C1F F31395 [0,1,0,0,0,1|0,0,1]=3 363 B10R1.61 CC(=O)C1=CNC=CC1=O C74936 [0,1,0,0,0,1|0,0,0]=2 364 B10R1.61 CC(=O)C1=NC=CC=C1N 80156 [0,1,0,0,0,1|0,0,1]=3 365 B10R1.61 CC(=O)C1=NC=CC=C1O 80210 [0,1,0,0,0,1|0,0,1]=3 366 B10R1.61 CC1=C(C(=O)O)C=NC=C1 83402 [0,1,0,0,0,1|1,0,1]=4 367 B10R1.61 CC1=C(C(N)=O)C=CN=C1 C74299 [0,1,0,0,0,1|2,0,0]=4 368 B10R1.61 CC1=C(C(N)=O)C=NC=C1 A10183 [0,1,0,0,0,1|1,0,1]=4 369 B10R1.61 CC1=CC=NN=C1C(=O)O P10780 [0,1,0,0,0,1|1,0,1]=4 370 B10R1.61 CC1=CN=CN=C1C(=O)O F52630 [0,1,0,0,0,1|1,0,1]=4 371 B10R1.61 NC(=O)C1=C(O)C=NC=C1 CL0151 [0,1,0,0,0,1|2,0,0]=4 372 B10R1.61 NC(=O)C1=CC=NNC1=O AC1803 [0,1,0,0,0,1|2,0,0]=4 373 B10R1.61 NC(=O)C1=NC=CN=C1Br Y10494 [0,1,0,0,0,1|1,0,1]=4 374 B10R1.61 NC(=O)C1=NC=CN=C1N 81968 [0,1,0,0,0,1|1,0,1]=4 375 B10R1.61 NC1=CN=CN=C1C(=O)O 20214 [0,1,0,0,0,1|1,0,1]=4 376 B10R1.61 O=C(O)C1=C(Br)C=NC=N1 84369 [0,1,0,0,0,1|1,0,1]=4 377 B10R1.61 O=C(O)C1=C(Cl)C=NC=N1 P10759 [0,1,0,0,0,1|1,0,1]=4 378 B10R1.61 O=C(O)C1=C(F)C=CN=C1 W18401 [0,1,0,0,0,1|1,0,1]=4 379 B10R1.61 O=C(O)C1=NC=CN=C1Br 84139 [0,1,0,0,0,1|1,0,1]=4 380 B10R1.61 O=C(O)C1=NC=CN=C1I 26634 [0,1,0,0,0,1|1,0,1]=4 381 B10R1.113 C=C(C)C1=CC(Br)=CN=C1 27507 [0,1,0,0,0,1|1,0,1]=4 382 B10R1.113 C=C(C)C1=CC(C)=CC=C1 AC1343 [0,1,0,0,0,1|2,0,0]=4 383 B10R1.113 C=C(C)C1=CC=CC(Cl)=C1 AC1313 [0,1,0,0,0,1|2,0,0]=4 384 B10R1.113 CC(=O)C1=CC(Br)=NC=C1 A10170 [0,1,0,0,0,1|1,0,0]=3 385 B10R1.113 CC(=O)C1=CC(Br)=NC=C1 W17608 [0,1,0,0,0,1|1,0,0]=3 386 B10R1.113 CC(=O)C1=CC(C)=NC=C1 27585 [0,1,0,0,0,1|1,0,0]=3 387 B10R1.113 CC(=O)C1=CC(Cl)=CN=C1 78890 [0,1,0,0,0,1|0,0,1]=3 388 B10R1.113 CC(=O)C1=CC(F)=CN=C1 N13069 [0,1,0,0,0,1|0,0,1]=3 389 B10R1.113 CC(=O)C1=CC(F)=NC=C1 52239 [0,1,0,0,0,1|1,0,0]=3 390 B10R1.113 CC(=O)C1=CC(N)=NC=C1 82952 [0,1,0,0,0,1|1,0,0]=3 391 B10R1.113 CC(=O)C1=CC=CC(Cl)=C1 D77821 [0,1,0,0,0,1|1,0,0]=3 392 B10R1.113 CC(=O)C1=CC=CC(F)=N1 F30144 [0,1,0,0,0,1|0,0,1]=3 393 B10R1.113 CC(=O)C1=CN=CC(Cl)=N1 Y14516 [0,1,0,0,0,1|0,0,1]=3 394 B10R1.113 CC(=O)C1=C[N+]([O-])=CC=C1 31268 [0,1,0,0,0,1|0,0,1]=3 395 B10R1.113 CC(=O)C1=NC(C)=NC=C1 D70257 [0,1,0,0,0,1|0,0,1]=3 396 B10R1.113 CC(=O)C1=NC(N)=NC=C1 75052 [0,1,0,0,0,1|0,0,1]=3 397 B10R1.113 CC(=O)C1=NC=CC(Br)=C1 RB1136 [0,1,0,0,0,1|0,0,1]=3 398 B10R1.113 CC(=O)C1=NC=CC(N)=C1 C72011 [0,1,0,0,0,1|0,0,1]=3 399 B10R1.113 CC(C)C1=CC=CC(=O)N1 D96359 [0,1,0,0,0,1|1,0,1]=4 400 B10R1.113 CC1=CC(C(=O)O)=NN=C1 P15424 [0,1,0,0,0,1|1,0,1]=4 401 B10R1.113 CC1=CC=CC(C(N)=O)=N1 AB10051 [0,1,0,0,0,1|1,0,1]=4 402 B10R1.113 CC1=CC=NC(C(=O)O)=N1 26974 [0,1,0,0,0,1|1,0,1]=4 403 B10R1.113 CC1=NC=CC(C(N)=O)=C1 F11696 [0,1,0,0,0,1|2,0,0]=4 404 B10R1.113 C[N+]1=CC=CC(C(=O)[O-])=C1 41976 [0,1,0,0,0,1|1,0,1]=4 405 B10R1.113 NC(=O)C1=CC(O)=CC=C1 C75901 [0,1,0,0,0,1|2,0,0]=4 406 B10R1.113 NC(=O)C1=CC=CC(Cl)=N1 78773 [0,1,0,0,0,1|1,0,1]=4 407 B10R1.113 NC(=O)C1=CC=NC(Cl)=N1 24231 [0,1,0,0,0,1|1,0,1]=4 408 B10R1.113 NC(=O)C1=CN=CC(O)=C1 W18378 [0,1,0,0,0,1|1,0,1]=4 409 B10R1.113 NC(=O)C1=NC(N)=NC=C1 C73521 [0,1,0,0,0,1|1,0,1]=4 410 B10R1.113 NC(=O)C1=NC(O)=CC=C1 C77024 [0,1,0,0,0,1|1,0,1]=4 411 B10R1.113 NC(=O)C1=NC=CC(N)=C1 S11442 [0,1,0,0,0,1|1,0,1]=4 412 B10R1.113 NC(=O)C1=NC=NC(O)=C1 F17317 [0,1,0,0,0,1|1,0,1]=4 413 B10R1.113 NC1=CC(C(=O)O)=NC=N1 26498 [0,1,0,0,0,1|1,0,1]=4 414 B10R1.113 NC1=CN=CC(C(=O)O)=N1 26349 [0,1,0,0,0,1|1,0,1]=4 415 B10R1.113 O=C(Cl)C1=CC(Cl)=NC=C1 78664 [0,1,0,0,0,1|2,0,0]=4 416 B10R1.113 O=C(Cl)C1=CC(Cl)=NC=N1 F18835 [0,1,0,0,0,1|1,0,1]=4 417 B10R1.113 O=C(Cl)C1=CC=CC(Cl)=N1 C76563 [0,1,0,0,0,1|1,0,1]=4 418 B10R1.113 O=C(O)C1=CC(S)=NC=C1 77943 [0,1,0,0,0,1|2,0,0]=4 419 B10R1.113 O=C(O)C1=CC=NC(Br)=N1 W17831 [0,1,0,0,0,1|1,0,1]=4 420 B10R1.113 O=C(O)C1=NC=CC(Cl)=N1 F19652 [0,1,0,0,0,1|1,0,1]=4 421 B10R1.113 O=C(O)C1=NC=CC(F)=C1 CL0347 [0,1,0,0,0,1|1,0,1]=4 422 B10R1.113 O=C([O-])C1=NC(O)=CN=C1 P19772 [0,1,0,0,0,1|1,0,1]=4 423 B10R1.113 O=C1C=CNC(C(=O)O)=C1 N13374 [0,1,0,0,0,1|1,0,0]=3 424 B10R1.23 O=C(O)C(=O)C1=CC=CO1 D77791 [0,1,0,0,0,1|2,0,0]=4 425 B10R1.27 COC(=O)CC1=CN=CN1 F53522 [0,1,0,0,0,1|1,0,0]=3 426 B10R1.54 CC(=O)O[C@@H]1C=CC(=O)C1 A10073 [0,1,0,0,0,1|1,0,1]=4 427 B10R1.54 CC(=O)O[C@@H]1C=CC(=O)C1 P15221 [0,1,0,0,0,1|1,0,1]=4 428 B10R1.54 NC1=NNC(CC(=O)O)=C1 52101 [0,1,0,0,0,1|2,0,0]=4 429 B10R1.54 O=C(O)CC1=CC=C(Br)S1 79437 [0,1,0,0,0,1|2,0,0]=4 430 B10R1.64 CN1C=CN=C1CC(=O)O AT15755 [0,1,0,0,0,1|2,0,0]=4 431 B10R1.64 CN1N=CC=C1CC(=O)O 78754 [0,1,0,0,0,1|2,0,0]=4 432 B10R1.11 CCOC(=O)C1=NC=CS1 24386 [0,2,0,0,0,0|1,0,1]=4 433 B10R1.11 CCOC(=O)C1=NN=CN1 AT21347 [0,2,0,0,0,0|2,0,0]=4 434 B10R1.14 CC1=CC=C(C(=O)NN)O1 79439 [0,2,0,0,0,0|2,0,0]=4 435 B10R1.14 CC1=NOC(C(=O)CBr)=C1 O10667 [0,2,0,0,0,0|2,0,0]=4 436 B10R1.14 CNC(=O)C1=CN=C(N)S1 C71570 [0,2,0,0,0,0|2,0,0]=4 437 B10R1.14 CNC(=O)C1=NOC(C)=C1 C11165 [0,2,0,0,0,0|1,0,1]=4 438 B10R1.14 COC(=O)C1=CC(=O)CC1 24403 [0,2,0,0,0,0|1,0,1]=4 439 B10R1.14 COC(=O)C1=CC(Br)=NO1 69278 [0,2,0,0,0,0|2,0,0]=4 440 B10R1.14 COC(=O)C1=CC(C)=CN1 F53538 [0,2,0,0,0,0|0,0,0]=2 441 B10R1.14 COC(=O)C1=CC(C)=NO1 W10289 [0,2,0,0,0,0|2,0,0]=4 442 B10R1.14 COC(=O)C1=CC(Cl)=CS1 P12968 [0,2,0,0,0,0|1,0,0]=3 443 B10R1.14 COC(=O)C1=CC(F)=CN1 68046 [0,2,0,0,0,0|0,0,0]=2 444 B10R1.14 COC(=O)C1=CC(F)=CS1 F21319 [0,2,0,0,0,0|1,0,0]=3 445 B10R1.14 COC(=O)C1=CC(I)=CN1 80242 [0,2,0,0,0,0|0,0,0]=2 446 B10R1.14 COC(=O)C1=CC(O)=NN1 F30450 [0,2,0,0,0,0|1,0,0]=3 447 B10R1.14 COC(=O)C1=CC=C(Cl)O1 76672 [0,2,0,0,0,0|1,0,0]=3 448 B10R1.14 COC(=O)C1=CC=C(Cl)S1 O11960 [0,2,0,0,0,0|1,0,0]=3 449 B10R1.14 COC(=O)C1=CC=C(I)S1 C76903 [0,2,0,0,0,0|1,0,0]=3 450 B10R1.14 COC(=O)C1=CC=C(N)N1 F14198 [0,2,0,0,0,0|0,0,0]=2 451 B10R1.14 COC(=O)C1=CN(C)C=C1 W18273 [0,2,0,0,0,0|2,0,0]=4 452 B10R1.14 COC(=O)C1=CN=C(Br)O1 26636 [0,2,0,0,0,0|2,0,0]=4 453 B10R1.14 COC(=O)C1=CN=C(Cl)O1 24825 [0,2,0,0,0,0|2,0,0]=4 454 B10R1.14 COC(=O)C1=CN=C(N)O1 C77206 [0,2,0,0,0,0|2,0,0]=4 455 B10R1.14 COC(=O)C1=CNC(=O)N1 32398 [0,2,0,0,0,0|1,0,0]=3 456 B10R1.14 COC(=O)C1=CNC(Br)=C1 30522 [0,2,0,0,0,0|2,0,0]=4 457 B10R1.14 COC(=O)C1=CNC(C)=N1 C77526 [0,2,0,0,0,0|1,0,1]=4 458 B10R1.14 COC(=O)C1=COC(Br)=N1 24396 [0,2,0,0,0,0|1,0,1]=4 459 B10R1.14 COC(=O)C1=COC(C)=C1 C15656 [0,2,0,0,0,0|2,0,0]=4 460 B10R1.14 COC(=O)C1=CSC(N)=C1 W15215 [0,2,0,0,0,0|2,0,0]=4 461 B10R1.14 COC(=O)C1=NC=C(Br)S1 P11750 [0,2,0,0,0,0|1,0,1]=4 462 B10R1.14 COC(=O)C1=NC=C(C)S1 25239 [0,2,0,0,0,0|1,0,1]=4 463 B10R1.14 COC(=O)C1=NC=C(N)N1 D80282 [0,2,0,0,0,0|1,0,0]=3 464 B10R1.14 COC(=O)C1=NNC(Cl)=C1 P15511 [0,2,0,0,0,0|1,0,1]=4 465 B10R1.14 COC(=O)C1=NNC(N)=C1 69262 [0,2,0,0,0,0|1,0,1]=4 466 B10R1.14 COC(=O)C1=NNC(O)=C1 64189 [0,2,0,0,0,0|1,0,1]=4 467 B10R1.14 COC(=O)C1=NOC(N)=C1 88479 [0,2,0,0,0,0|1,0,1]=4 468 B10R1.14 COC(=O)C1=NSC(N)=C1 D97206 [0,2,0,0,0,0|1,0,1]=4 469 B10R1.14 O=C(CBr)C1=CC=C(Br)O1 C90418 [0,2,0,0,0,0|1,0,0]=3 470 B10R1.149 COC(=O)C1=C(Br)NC=N1 A11887 [0,2,0,0,0,0|1,0,1]=4 471 B10R1.149 COC(=O)C1=C(C)C=CN1 38966 [0,2,0,0,0,0|0,0,0]=2 472 B10R1.149 COC(=O)C1=C(Cl)SC=N1 W17606 [0,2,0,0,0,0|1,0,1]=4 473 B10R1.149 COC(=O)C1=C(N)C=NN1 P10863 [0,2,0,0,0,0|1,0,0]=3 474 B10R1.149 COC(=O)C1=C(N)N=CS1 27542 [0,2,0,0,0,0|2,0,0]=4 475 B10R1.149 COC(=O)C1=C(N)SC=N1 F13785 [0,2,0,0,0,0|1,0,1]=4 476 B10R1.149 COC(=O)C1=C(O)C=CN1 C10734 [0,2,0,0,0,0|0,0,0]=2 477 B10R1.149 COC(=O)C1=CC=CN1N O11841 [0,2,0,0,0,0|0,0,0]=2 478 B10R1.149 COC(=O)C1=CN=CN1N D79019 [0,2,0,0,0,0|1,0,0]=3 479 B10R1.149 COC(=O)C1=CN=NN1C 30682 [0,2,0,0,0,0|2,0,0]=4 480 B10R1.149 COC(=O)C1=CSC=C1Br 27641 [0,2,0,0,0,0|2,0,0]=4 481 B10R1.149 COC(=O)C1=CSC=C1N P17958 [0,2,0,0,0,0|2,0,0]=4 482 B10R1.149 COC(=O)C1=NNC=C1I Y10747 [0,2,0,0,0,0|1,0,1]=4 483 B10R1.149 COC(=O)C1=NNC=C1N 37584 [0,2,0,0,0,0|1,0,1]=4 484 B10R1.149 COC(=O)C1=NSC=C1I AT21163 [0,2,0,0,0,0|1,0,1]=4 485 B10R1.31 COC1=CC=C(C(=O)O)S1 31392 [0,2,0,0,0,0|2,0,0]=4 486 B10R1.31 COC1=NOC(C(C)=O)=C1 98350 [0,2,0,0,0,0|2,0,0]=4 487 B10R1.31 N#CC1=CC=C(C(=O)O)N1 C16499 [0,2,0,0,0,0|1,0,0]=3 488 B10R1.31 N#CC1=CC=C(C(=O)O)O1 N12973 [0,2,0,0,0,0|2,0,0]=4 489 B10R1.31 N#CC1=CC=C(C(=O)O)S1 89049 [0,2,0,0,0,0|2,0,0]=4 490 B10R1.31 N#CC1=CC=C([N+](=O)[O-])N1 24335 [0,2,0,0,0,0|2,0,0]=4 491 B10R1.31 N#CC1=COC(C(=O)O)=C1 C72484 [0,2,0,0,0,0|2,0,0]=4 492 B10R1.31 N#CC1=CSC(C(=O)O)=C1 76094 [0,2,0,0,0,0|2,0,0]=4 493 B10R1.31 O=C(O)C1=CC(CO)=NN1 C72595 [0,2,0,0,0,0|2,0,0]=4 494 B10R1.58 CC(=O)C1=CC(C)=C(Br)S1 O10304 [0,2,0,0,0,0|1,0,0]=3 495 B10R1.58 CC(=O)C1=CC(Cl)=C(Br)S1 O10303 [0,2,0,0,0,0|1,0,0]=3 496 B10R1.58 CC(=O)C1=CC(Cl)=C(Cl)S1 C75701 [0,2,0,0,0,0|1,0,0]=3 497 B10R1.58 CC1=C(Br)C=C(C(=O)O)S1 36278 [0,2,0,0,0,0|2,0,0]=4 498 B10R1.58 CC1=C(C)NC(C(=O)O)=C1 F30544 [0,2,0,0,0,0|1,0,0]=3 499 B10R1.58 NC(=O)C1=CC(Cl)=C(Cl)N1 C75354 [0,2,0,0,0,0|1,0,0]=3 500 B10R1.58 O=C(O)C1=CC(Br)=C(Cl)S1 C16067 [0,2,0,0,0,0|2,0,0]=4 501 B10R1.58 O=C(O)C1=CC(Cl)=C(Br)S1 C71923 [0,2,0,0,0,0|2,0,0]=4 502 B10R1.58 O=C(O)C1=CC(Cl)=C(Cl)N1 W17455 [0,2,0,0,0,0|1,0,0]=3 503 B10R1.58 O=C(O)C1=NC(Cl)=C(Cl)N1 96262 [0,2,0,0,0,0|2,0,0]=4 504 B10R1.59 CC(=O)C1=C(C)C=C(C)O1 C74181 [0,2,0,0,0,0|1,0,0]=3 505 B10R1.59 CC(=O)C1=C(C)N=C(Br)S1 83678 [0,2,0,0,0,0|2,0,0]=4 506 B10R1.59 CC(=O)C1=C(C)N=C(Cl)S1 W17906 [0,2,0,0,0,0|2,0,0]=4 507 B10R1.59 CC(=O)C1=C(C)OC(C)=N1 C74185 [0,2,0,0,0,0|1,0,1]=4 508 B10R1.59 CC(=O)C1=C(C)SC(N)=N1 73926 [0,2,0,0,0,0|1,0,1]=4 509 B10R1.59 CC(=O)C1=CC(C)=NN1C 25727 [0,2,0,0,0,0|1,0,0]=3 510 B10R1.59 CC(=O)C1=NN(C)C=C1Cl E70434 [0,2,0,0,0,0|1,0,1]=4 511 B10R1.59 CC1=CC(Br)=C(C(=O)O)S1 D95614 [0,2,0,0,0,0|2,0,0]=4 512 B10R1.59 CC1=CC(C)=C(C(=O)O)N1 61000 [0,2,0,0,0,0|1,0,0]=3 513 B10R1.59 CN1C=C(Br)C=C1C(=O)O 26615 [0,2,0,0,0,0|1,0,0]=3 514 B10R1.59 CN1C=C(F)C=C1C(=O)O 73060 [0,2,0,0,0,0|1,0,0]=3 515 B10R1.59 CN1C=C(N)C=C1C(=O)O 84211 [0,2,0,0,0,0|1,0,0]=3 516 B10R1.59 CN1N=C(Br)C=C1C(=O)O C77500 [0,2,0,0,0,0|2,0,0]=4 517 B10R1.59 CN1N=C(Cl)C=C1C(=O)O 66055 [0,2,0,0,0,0|2,0,0]=4 518 B10R1.59 NC(=O)C1=C(N)C=C(Br)S1 F30708 [0,2,0,0,0,0|2,0,0]=4 519 B10R1.59 O=C(O)C1=C(Br)C=C(Cl)S1 C10746 [0,2,0,0,0,0|2,0,0]=4 520 B10R1.59 O=C(O)C1=C(Cl)C=C(Br)S1 N12995 [0,2,0,0,0,0|2,0,0]=4 521 B10R1.59 O=C(O)C1=C(Cl)C=C(Cl)S1 F16141 [0,2,0,0,0,0|2,0,0]=4 522 B10R1.194 CC(=O)C1=CNC(Br)=C1C S10057 [0,2,0,0,0,0|2,0,0]=4 523 B10R1.194 CC1=C(C(=O)O)NN=C1Br O10964 [0,2,0,0,0,0|2,0,0]=4 524 B10R1.194 CC1=CC=C(C(=O)O)N1C D83409 [0,2,0,0,0,0|1,0,0]=3 525 B10R1.194 CC1=CSC(C(=O)O)=C1C C77023 [0,2,0,0,0,0|2,0,0]=4 526 B10R1.194 CC1=NC=C(C(=O)O)N1C F11120 [0,2,0,0,0,0|2,0,0]=4 527 B10R1.194 CC1=NNC(C(=O)O)=C1C 26230 [0,2,0,0,0,0|2,0,0]=4 528 B10R1.194 CC1=NNC(C(=O)O)=C1Cl W19203 [0,2,0,0,0,0|2,0,0]=4 529 B10R1.194 CC1=NNC(C(=O)O)=C1N 76005 [0,2,0,0,0,0|2,0,0]=4 530 B10R1.194 CN1C(Br)=CC=C1C(=O)O 26338 [0,2,0,0,0,0|1,0,0]=3 531 B10R1.194 CN1C(C(=O)O)=CN=C1O W11944 [0,2,0,0,0,0|2,0,0]=4 532 B10R1.194 NC(=O)C1=C(N)C(Br)=CS1 N17029 [0,2,0,0,0,0|2,0,0]=4 533 B10R1.194 NC1=NNC(C(=O)O)=C1Br I10724 [0,2,0,0,0,0|2,0,0]=4 534 B10R1.39 CCN1C=CN=C1C(=O)O D86551 [0,2,0,0,0,0|2,0,0]=4 535 B10R1.39 CCN1C=NC=C1C(=O)O F10434 [0,2,0,0,0,0|2,0,0]=4 536 B10R1.39 COC1=C(C(=O)O)SC=C1 W12768 [0,2,0,0,0,0|2,0,0]=4 537 B10R1.39 O=C(O)C1=C(CO)N=CN1 D79425 [0,2,0,0,0,0|2,0,0]=4 538 B10R1.39 O=CC1=C(C(=O)O)OC=C1 AT17154 [0,2,0,0,0,0|2,0,0]=4 539 B10R1.192 CC1=C(C(=O)O)N(C)C=C1 W18312 [0,2,0,0,0,0|1,0,0]=3 540 B10R1.192 CC1=C(C(=O)O)N(C)C=N1 W10906 [0,2,0,0,0,0|2,0,0]=4 541 B10R1.192 CC1=C(C(=O)O)N(C)N=C1 F21495 [0,2,0,0,0,0|2,0,0]=4 542 B10R1.192 CN1C=C[N+](C)=C1C(=O)[O-] T71025 [0,2,0,0,0,0|2,0,0]=4 543 B10R1.192 CN1N=CC(N)=C1C(=O)O F53437 [0,2,0,0,0,0|2,0,0]=4 544 B8R1.4 CC1=CC=CC(I)=N1 S10876 [0,0,1,1,0,0|2,0,0]=4 545 B8R1.4 CC1=NC=CC(N)=N1 25050 [0,0,1,1,0,0|2,0,0]=4 546 B8R1.4 NC1=CC=CC(I)=N1 76368 [0,0,1,1,0,0|2,0,0]=4 547 B8R1.5 CC1=C(I)C=CC=N1 F19761 [0,0,1,1,0,0|2,0,0]=4 548 B8R1.5 CC1=NC=NC=C1N 25415 [0,0,1,1,0,0|2,0,0]=4 549 B8R1.5 NC1=CC=CN=C1I RB1070 [0,0,1,1,0,0|2,0,0]=4 550 B8R1.5 O=C1NC=CNC1=O W18441 [0,0,1,1,0,0|2,0,0]=4 551 B8R1.18 CC1=CC(N)=C(C)S1 86689 [0,0,1,1,0,0|0,1,1]=4 552 B10R2.320 O=C1CC2=C1C=CC=C2 67963 [0,0,0,1,0,1|1,0,0]=3 553 B10R2.2 O=C1NC2=C(N1)SC=C2 C76269 [0,0,0,1,0,1|2,0,0]=4 554 B10R2.32 O=C1CCN2C=CN=C12 W18257 [0,1,0,1,0,0|1,0,0]=3 555 B8R1.2 CCC1=NC=NC=C1 F17281 [1,0,0,0,0,1|0,0,2]=4 556 B8R1.2 CNC1=NC=NC=C1 W10133 [1,0,0,0,0,1|1,0,1]=4 557 B8R1.2 COC1=NC=NC=C1 T72699 [1,0,0,0,0,1|1,0,1]=4 558 B8R1.2 O=CC1=NC=NC=C1 26359 [1,0,0,0,0,1|0,0,1]=3 559 B10R1.18 CC(=O)CC1=CN=CC=C1 28512 [0,0,0,0,0,2|0,0,1]=3 560 B10R1.18 CC(=O)NC1=CC=CC=C1 D72485 [0,0,0,0,0,2|1,0,0]=3 561 B10R1.18 NC(=O)CC1=NC=CC=N1 26281 [0,0,0,0,0,2|1,0,1]=4 562 B10R1.18 NC(=O)NC1=NC=CN=C1 W17943 [0,0,0,0,0,2|1,0,1]=4 563 B10R1.18 O=C([O-])CC1=NC=NC=C1 27827 [0,0,0,0,0,2|1,0,1]=4 564 B10R1.66 O=C(O)CCC1=CC=CN1 35365 [0,0,0,0,0,2|1,0,0]=3 565 B10R1.66 O=C(O)CCC1=CC=CS1 69875 [0,0,0,0,0,2|2,0,0]=4 566 B10R1.66 O=C(O)CCC1=CN=CN1 28308 [0,0,0,0,0,2|2,0,0]=4 567 B10R1.66 O=C(O)CCC1=NC=CN1 69195 [0,0,0,0,0,2|2,0,0]=4 568 B10R1.66 O=C(O)CCC1=NC=CN1 69196 [0,0,0,0,0,2|2,0,0]=4