0 B6R1.2 BrC1=COC=C1 BCP10263 [0,0,0,0,0,0|3,0,0]=3 1 B6R1.2 BrC1=CSN=C1 BCP09718 [0,0,0,0,0,0|2,0,0]=2 2 B6R1.2 BrC1=NNC=C1 BCP00001 [0,0,0,0,0,0|3,0,0]=3 3 B6R1.2 BrC1=NNC=N1 BCP10343 [0,0,0,0,0,0|4,0,0]=4 4 B6R1.2 CC1=CC=NO1 BCP11243 [0,0,0,0,0,0|2,0,0]=2 5 B6R1.2 CC1=NNC=N1 BCP08231 [0,0,0,0,0,0|3,0,0]=3 6 B6R1.2 CN1N=CN=C1 BCP18633 [0,0,0,0,0,0|3,0,0]=3 7 B6R1.2 IC1=CON=C1 BCP07767 [0,0,0,0,0,0|2,0,0]=2 8 B6R1.2 Ic1cnc[nH]1 BCP09637 [0,0,0,0,0,0|3,0,0]=3 9 B6R1.2 NC1=CNC=N1 BCP05277 [0,0,0,0,0,0|3,0,0]=3 10 B6R1.2 O=C1OCC=C1 BCP15247 [0,0,0,0,0,0|4,0,0]=4 11 B6R1.2 S=C1N=NNC1 BCP09836 [0,0,0,0,0,0|2,0,1]=3 12 B6R1.2 SC1=NN=CS1 BCP12085 [0,0,0,0,0,0|4,0,0]=4 13 B5R1.1 C1=CCNC1 BCP09734 [1,0,0,0,0,0|1,0,1]=3 14 B5R1.1 C1=NNC=N1 BCP20885 [1,0,0,0,0,0|1,0,0]=2 15 B5R1.1 N1N=NC=C1 BCP18903 [1,0,0,0,0,0|1,0,0]=2 16 B5R1.1 S1N=CC=C1 BCP05147 [1,0,0,0,0,0|1,0,0]=2 17 B7R1.1 BrCC1=CC=CS1 BCP05380 [0,1,0,0,0,0|3,0,0]=4 18 B7R1.1 BrCC1=CC=NO1 BCP11397 [0,1,0,0,0,0|2,0,0]=3 19 B7R1.1 CCC1=CC=CN1 BCP04114 [0,1,0,0,0,0|3,0,0]=4 20 B7R1.1 ClCC1=CN=CN1 BCP14266 [0,1,0,0,0,0|2,0,0]=3 21 B7R1.1 ClCC1=NN=NN1 BCP15307 [0,1,0,0,0,0|2,0,1]=4 22 B7R1.1 NCC1=CC=NO1 BCP11419 [0,1,0,0,0,0|2,0,0]=3 23 B7R1.1 O=CC1=CNC=C1 BCP05260 [0,1,0,0,0,0|1,0,1]=3 24 B7R1.1 O=CC1=CNC=N1 BCP04813 [0,1,0,0,0,0|2,0,1]=4 25 B7R1.1 OCC1=CC=NO1 BCP11418 [0,1,0,0,0,0|2,0,0]=3 26 B7R1.1 OCc1cnco1 BCP16363 [0,1,0,0,0,0|2,0,0]=3 27 B7R1.2 CC1=CC=C(C)N1 BCP18596 [0,1,0,0,0,0|3,0,0]=4 28 B7R1.2 CC1=NN=C(C)N1 BCP11310 [0,1,0,0,0,0|3,0,0]=4 29 B7R1.2 CN1N=C(Br)C=C1 BCP14739 [0,1,0,0,0,0|3,0,0]=4 30 B7R1.2 Cn1cc(cn1)I BCP13736 [0,1,0,0,0,0|1,0,0]=2 31 B7R1.2 Cn1ccc(n1)I BCP17280 [0,1,0,0,0,0|3,0,0]=4 32 B7R1.2 NC1=NC=C(Br)S1 BCP13550 [0,1,0,0,0,0|3,0,0]=4 33 B7R1.2 NC1=NC=C(C)N1 BCP11475 [0,1,0,0,0,0|2,0,0]=3 34 B7R1.4 BrC1=C(Br)SC=C1 BCP01021 [0,1,0,0,0,0|3,0,0]=4 35 B7R1.4 BrC1=CSC=C1Br BCP07494 [0,1,0,0,0,0|3,0,0]=4 36 B7R1.4 Cn1nccc1C BCP18637 [0,1,0,0,0,0|2,0,0]=3 37 B7R1.4 IC1=C(I)N=CN1 BCP17505 [0,1,0,0,0,0|3,0,0]=4 38 B7R1.4 NC1=NON=C1N BCP00227 [0,1,0,0,0,0|3,0,0]=4 39 B7R1.4 OC1=CC=N[N]1C BCP17282 [0,1,0,0,0,0|3,0,0]=4 40 B7R1.4 SC1=NC=CN1C BCP02147 [0,1,0,0,0,0|2,0,0]=3 41 B5R1.2 O=C1CNC1 BCP10186 [0,0,0,0,1,0|1,0,2]=4 42 B7R1.3 BrC1=CC=NC=C1 BCP05990 [0,0,0,0,0,1|2,0,0]=3 43 B7R1.3 CC1=CC=CC=C1 BCP16202 [0,0,0,0,0,1|2,0,0]=3 44 B7R1.3 ClC1=NC=NC=C1 BCP05785 [0,0,0,0,0,1|2,0,0]=3 45 B7R1.3 FC1=CN=CC=N1 BCP03206 [0,0,0,0,0,1|2,0,0]=3 46 B7R1.3 NC1=NC=CN=C1 BCP13854 [0,0,0,0,0,1|2,0,0]=3 47 B7R1.3 NC1=NC=CN=N1 BCP17595 [0,0,0,0,0,1|3,0,0]=4 48 B7R1.3 NC1=NC=NC=C1 BCP06825 [0,0,0,0,0,1|2,0,0]=3 49 B7R1.3 NC1=NN=CC=C1 BCP13988 [0,0,0,0,0,1|3,0,0]=4 50 B7R1.3 O=C1C=CC=NN1 BCP04620 [0,0,0,0,0,1|3,0,0]=4 51 B7R1.3 O=C1C=CN=CN1 BCP04213 [0,0,0,0,0,1|2,0,0]=3 52 B7R1.3 O=C1C=CNC=N1 BCP13987 [0,0,0,0,0,1|2,0,0]=3 53 B7R1.3 OC1=CC=NC=C1 BCP08909 [0,0,0,0,0,1|2,0,0]=3 54 B4R0.1 NC(C=C)=O BCP25183 [1,0,1,0,0,0|2,0,0]=4 55 B4R0.1 NC(CN)=N BCP12671 [1,0,1,0,0,0|1,0,1]=4 56 B4R0.2 C=CCON BCP19009 [1,0,1,0,0,0|1,0,1]=4 57 B8R1.2 C=CC1=CC=CN=C1 BCP12214 [0,1,0,0,0,1|1,0,1]=4 58 B8R1.2 NCC1=CC=CN=C1 BCP13872 [0,1,0,0,0,1|1,0,0]=3 59 B8R1.2 NCC1=NN=CC=C1 BCP04627 [0,1,0,0,0,1|2,0,0]=4 60 B8R1.2 OCC1=CC=CN=C1 BCP20084 [0,1,0,0,0,1|1,0,0]=3 61 B8R1.2 OCC1=CN=CN=C1 BCP04747 [0,1,0,0,0,1|0,0,1]=3 62 B8R1.3 BrC1=CN=C(Br)C=N1 BCP11180 [0,1,0,0,0,1|2,0,0]=4 63 B8R1.3 BrC1=CN=C(C)C=C1 BCP13752 [0,1,0,0,0,1|2,0,0]=4 64 B8R1.3 BrC1=CN=C(C)N=C1 BCP10084 [0,1,0,0,0,1|1,0,1]=4 65 B8R1.3 BrC1=CN=C(I)N=C1 BCP02767 [0,1,0,0,0,1|1,0,1]=4 66 B8R1.3 CC1=CC=C(Cl)N=C1 BCP19250 [0,1,0,0,0,1|1,0,0]=3 67 B8R1.3 CC1=CN=C(C)C=N1 BCP08618 [0,1,0,0,0,1|1,0,0]=3 68 B8R1.3 CC1=CN=C(Cl)C=N1 BCP18846 [0,1,0,0,0,1|1,0,0]=3 69 B8R1.3 ClC1=CN=C(C=C1)I BCP11362 [0,1,0,0,0,1|2,0,0]=4 70 B8R1.3 ClC1=CN=C(Cl)N=C1 BCP05864 [0,1,0,0,0,1|1,0,1]=4 71 B8R1.3 ClC=1N=CC(=CN1)I BCP15602 [0,1,0,0,0,1|1,0,1]=4 72 B8R1.3 FC1=CC=C(C)N=C1 BCP05119 [0,1,0,0,0,1|2,0,0]=4 73 B8R1.3 NC1=CC=C(C)N=C1 BCP05413 [0,1,0,0,0,1|2,0,0]=4 74 B8R1.3 NC=1C=CC(=CN1)C BCP16835 [0,1,0,0,0,1|1,0,0]=3 75 B8R1.3 O=C1C=CC(C)=CN1 BCP20199 [0,1,0,0,0,1|1,0,0]=3 76 B8R1.3 O=C1C=CC(N)=CN1 BCP05414 [0,1,0,0,0,1|2,0,0]=4 77 B8R1.3 O=C1C=NC(C)=CN1 BCP16191 [0,1,0,0,0,1|1,0,0]=3 78 B8R1.4 BrC1=CC=NC(O)=C1 BCP01174 [0,1,0,0,0,1|2,0,0]=4 79 B8R1.4 BrC1=CN=CC(Br)=C1 BCP07788 [0,1,0,0,0,1|2,0,0]=4 80 B8R1.4 BrC1=NC=NC(=C1)C BCP06890 [0,1,0,0,0,1|1,0,0]=3 81 B8R1.4 C1=C(C=NC=C1Cl)O BCP10855 [0,1,0,0,0,1|2,0,0]=4 82 B8R1.4 CC1=CC=CC(N)=C1 BCP15285 [0,1,0,0,0,1|2,0,0]=4 83 B8R1.4 CC1=CN=CC(Cl)=N1 BCP04702 [0,1,0,0,0,1|1,0,0]=3 84 B8R1.4 Cc1ccnc(c1)N BCP05096 [0,1,0,0,0,1|1,0,0]=3 85 B8R1.4 ClC1=CN=CC(Br)=C1 BCP04458 [0,1,0,0,0,1|2,0,0]=4 86 B8R1.4 ClC1=CN=CC(Cl)=C1 BCP05054 [0,1,0,0,0,1|2,0,0]=4 87 B8R1.4 ClC1=NC=NC(Cl)=C1 BCP16087 [0,1,0,0,0,1|2,0,0]=4 88 B8R1.4 FC1=CC=NC(Cl)=C1 BCP05875 [0,1,0,0,0,1|2,0,0]=4 89 B8R1.4 FC1=CN=CC(Br)=C1 BCP04824 [0,1,0,0,0,1|2,0,0]=4 90 B8R1.4 FC1=NC(F)=CC=N1 BCP07954 [0,1,0,0,0,1|2,0,0]=4 91 B8R1.4 IC1=CC(Br)=NC=C1 BCP10632 [0,1,0,0,0,1|2,0,0]=4 92 B8R1.4 IC1=CC(Cl)=NC=C1 BCP13110 [0,1,0,0,0,1|2,0,0]=4 93 B8R1.4 IC1=CC(F)=NC=C1 BCP01627 [0,1,0,0,0,1|2,0,0]=4 94 B8R1.4 NC1=CC(Cl)=NN=C1 BCP04639 [0,1,0,0,0,1|1,0,1]=4 95 B8R1.4 NC1=CN=CC(Cl)=C1 BCP11400 [0,1,0,0,0,1|2,0,0]=4 96 B8R1.4 NC1=NC(N)=CN=C1 BCP04701 [0,1,0,0,0,1|2,0,0]=4 97 B8R1.4 OC1=CN=NC(S)=N1 BCP09312 [0,1,0,0,0,1|1,0,1]=4 98 B8R1.4 OC1=NC=NC(O)=C1 BCP00979 [0,1,0,0,0,1|2,0,0]=4 99 B8R1.5 Brc1cccnc1O BCP11402 [0,1,0,0,0,1|2,0,0]=4 100 B8R1.5 CC1=C(N)C=CC=C1 BCP17522 [0,1,0,0,0,1|2,0,0]=4 101 B8R1.5 CC1=NC=CC=C1F BCP04309 [0,1,0,0,0,1|2,0,0]=4 102 B8R1.5 CC1=NC=NC=C1Br BCP19479 [0,1,0,0,0,1|1,0,0]=3 103 B8R1.5 Cc1nccnc1N BCP04706 [0,1,0,0,0,1|1,0,0]=3 104 B8R1.5 ClC1=C(Br)C=NC=C1 BCP10659 [0,1,0,0,0,1|2,0,0]=4 105 B8R1.5 ClC1=CC=CN=C1I BCP04456 [0,1,0,0,0,1|2,0,0]=4 106 B8R1.5 FC1=CN=CN=C1Cl BCP07557 [0,1,0,0,0,1|1,0,1]=4 107 B8R1.5 IC1=CC=CN=C1Cl BCP03191 [0,1,0,0,0,1|2,0,0]=4 108 B8R1.5 NC1=C(N)N=CN=C1 BCP19378 [0,1,0,0,0,1|1,0,1]=4 109 B8R1.5 NC1=CC=NC=C1Br BCP03800 [0,1,0,0,0,1|2,0,0]=4 110 B8R1.5 NC1=CC=NC=C1F BCP01703 [0,1,0,0,0,1|2,0,0]=4 111 B8R1.5 NC1=NC=CC=C1N BCP04951 [0,1,0,0,0,1|2,0,0]=4 112 B8R1.5 O=C1NC=NC=C1Br BCP00937 [0,1,0,0,0,1|1,0,0]=3 113 B8R1.1 C[N+]1=CN(CC)C=C1 BCP15816 [0,2,0,0,0,0|2,0,0]=4 114 B8R1.1 Cc1cnc(s1)C=O BCP10107 [0,2,0,0,0,0|2,0,0]=4 115 B8R1.1 ClCc1cnc(s1)Cl BCP14042 [0,2,0,0,0,0|2,0,0]=4 116 B8R1.1 NCC1=CC(O)=NO1 BCP02327 [0,2,0,0,0,0|2,0,0]=4 117 B8R1.1 O=C1NOC(CN)=C1 BCP23771 [0,2,0,0,0,0|2,0,0]=4 118 B8R1.1 O=CC1=CC(Br)=CN1 BCP05404 [0,2,0,0,0,0|2,0,0]=4 119 B8R1.7 C1=C(C(=O)O)C=NO1 BCP10174 [0,2,0,0,0,0|1,0,1]=4 120 B8R1.7 CC(=O)C1=CNN=C1 BCP18458 [0,2,0,0,0,0|0,0,0]=2 121 B8R1.7 O=C(C1=CNC=C1)O BCP08157 [0,2,0,0,0,0|1,0,1]=4 122 B8R1.7 OB(O)C1=CNN=C1 BCP12527 [0,2,0,0,0,0|1,0,0]=3 123 B8R1.7 OC(=O)c1c[nH]nc1 BCP06636 [0,2,0,0,0,0|0,0,1]=3 124 B8R1.8 N#CCC1=CNC=N1 BCP16340 [0,2,0,0,0,0|2,0,0]=4 125 B8R1.8 N#CCN1C=CN=C1 BCP07459 [0,2,0,0,0,0|2,0,0]=4 126 B8R1.8 NCCC1=CN=CN1 BCP16313 [0,2,0,0,0,0|2,0,0]=4 127 B8R1.11 CC1=C(SC)C=CO1 BCP11303 [0,2,0,0,0,0|2,0,0]=4 128 B8R1.11 CN1C(CO)=NC=C1 BCP17283 [0,2,0,0,0,0|2,0,0]=4 129 B8R1.18 CC1=CC(C)=NN1C BCP18636 [0,2,0,0,0,0|2,0,0]=4 130 B8R1.18 Cc1nc(N)sc1C BCP18370 [0,2,0,0,0,0|2,0,0]=4 131 B8R1.18 NC1=NC(C)=C(C)S1 BCP14132 [0,2,0,0,0,0|2,0,0]=4 132 B8R1.50 CN1C(I)=CN=C1I BCP16756 [0,2,0,0,0,0|2,0,0]=4 133 B6R1.1 C1=CC=CN=C1 BCP06413 [0,0,1,1,0,0|1,0,1]=4 134 B6R1.1 C1=CCNCC1 BCP09736 [0,0,1,1,0,0|1,0,1]=4 135 B6R1.1 C1=NC=CC=C1 BCP10411 [0,0,1,1,0,0|1,0,1]=4