0 B8R1.8 CCNC1=NN=CS1 OR5353 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.8 CNCC1=CC=CO1 OR110977 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.8 CNCC1=COC=C1 OR110085 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.8 N#CCC1=CC=CN1 OR471598 [0,0,0,0,0,0|1,0,2]=3 4 B8R1.8 NCCC1=CN=CN1 OR310729 [0,0,0,0,0,0|0,0,0]=0 5 B8R1.8 NCCC1=NN=NN1 OR345113 [0,0,0,0,0,0|2,0,0]=2 6 B8R1.8 NCCC1=NNC=C1 OR471576 [0,0,0,0,0,0|2,0,1]=3 7 B8R1.8 NCCN1C=CN=N1 OR350494 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.8 OCCN1C=NN=C1 OR470572 [0,0,0,0,0,0|4,0,0]=4 9 B7R1.1 NCC1=CNC=N1 OR471298 [1,0,0,0,0,0|0,0,2]=3 10 B7R1.1 NCC1=CNN=C1 OR350493 [1,0,0,0,0,0|2,0,0]=3 11 B7R1.1 NCC1=CNN=N1 OR015019 [1,0,0,0,0,0|1,0,2]=4 12 B7R1.1 NCC1=NN=CO1 OR480234 [1,0,0,0,0,0|2,0,0]=3 13 B7R1.1 NCC1=NN=NN1 OR322721 [1,0,0,0,0,0|2,0,0]=3 14 B7R1.1 NCC1=NNC=N1 OR471295 [1,0,0,0,0,0|1,0,2]=4 15 B9R1.7 CC1=CC=C(CCN)S1 OR322779 [0,1,0,0,0,0|2,0,0]=3 16 B9R1.7 CC1=CN=C(CCN)N1 OR305181 [0,1,0,0,0,0|2,0,0]=3 17 B9R1.7 CCCC1=CC(N)=NN1 OR480246 [0,1,0,0,0,0|3,0,0]=4 18 B9R1.7 CCCC1=CC=C(Br)S1 OR305587 [0,1,0,0,0,0|3,0,0]=4 19 B9R1.7 CCCN1C=NC(Br)=C1 OR302106 [0,1,0,0,0,0|3,0,0]=4 20 B9R1.11 NNC(=O)C1=CC=CN1 OR27344 [0,1,0,0,0,0|2,0,1]=4 21 B9R1.12 C#CCCC1=CNC=N1 OR350421 [0,1,0,0,0,0|1,0,2]=4 22 B9R1.12 ClCCCN1C=CN=C1 OR471035 [0,1,0,0,0,0|3,0,0]=4 23 B9R1.12 NCCCN1C=CC=N1 OR322536 [0,1,0,0,0,0|2,0,1]=4 24 B9R1.12 NCCCN1C=NN=C1 OR470581 [0,1,0,0,0,0|3,0,0]=4 25 B9R1.13 CC(N)CC1=CC=CS1 OR322493 [0,1,0,0,0,0|2,0,0]=3 26 B9R1.13 CC(N)CN1C=NC=N1 OR322553 [0,1,0,0,0,0|1,0,1]=3 27 B9R1.13 CN(C)CC1=CC=CN1 OR470434 [0,1,0,0,0,0|3,0,0]=4 28 B9R1.13 C[C@H](O)CN1C=NC=N1 OR480291 [0,1,0,0,0,0|2,0,1]=4 29 B9R1.33 CC1=C(CCN)SC=C1 OR322669 [0,1,0,0,0,0|2,0,0]=3 30 B9R2.2 C1=CN(C2CC2)C=N1 OR302079 [0,0,0,1,0,0|3,0,0]=4 31 B9R2.3 C1=NC2=C(CNC2)S1 OR470645 [0,0,0,1,0,0|3,0,0]=4 32 B9R2.3 C1=NN2CCCC2=C1 OR350467 [0,0,0,1,0,0|3,0,0]=4 33 B9R2.3 C1CN2CCNC2=N1 OR471515 [0,0,0,1,0,0|2,0,1]=4 34 B9R1.8 BrCCC1=CC=CC=N1 OR322454 [0,0,0,0,0,1|2,0,1]=4 35 B9R1.8 CCCC1=NC=CC=C1 OR310652 [0,0,0,0,0,1|2,0,1]=4 36 B9R1.8 CCOC1=CN=CC=C1 OR345538 [0,0,0,0,0,1|3,0,0]=4 37 B9R1.8 CCOC1=NC=CN=C1 OR350173 [0,0,0,0,0,1|2,0,1]=4 38 B9R1.8 NNCC1=CC=CC=C1 OR315732 [0,0,0,0,0,1|3,0,0]=4 39 B9R1.8 NNCC1=CC=CC=N1 OR306156 [0,0,0,0,0,1|2,0,1]=4 40 B9R1.8 NNCC1=CC=CN=C1 OR306139 [0,0,0,0,0,1|2,0,0]=3 41 B9R1.8 NNCC1=CC=NC=C1 OR306205 [0,0,0,0,0,1|2,0,0]=3 42 B9R1.8 NOCC1=CC=CN=C1 OR471001 [0,0,0,0,0,1|2,0,0]=3 43 B9R1.8 O=CCC1=CC=CN=C1 OR311265 [0,0,0,0,0,1|2,0,1]=4 44 B9R1.8 O=CCC1=CC=NC=C1 OR311262 [0,0,0,0,0,1|2,0,1]=4 45 B9R1.8 SCCC1=CC=CN=C1 OR305415 [0,0,0,0,0,1|2,0,0]=3 46 B9R1.8 SCCC1=CC=NC=C1 OR322470 [0,0,0,0,0,1|2,0,0]=3 47 B6R1.2 ClC1=CN=CS1 OR54494 [2,0,0,0,0,0|2,0,0]=4 48 B8R1.1 CC1=CNC(CO)=C1 OR0100 [1,1,0,0,0,0|2,0,0]=4 49 B8R1.1 CC1=NNC(CN)=C1 OR471517 [1,1,0,0,0,0|2,0,0]=4 50 B8R1.1 CCN1C=NC(Br)=C1 OR302115 [1,1,0,0,0,0|2,0,0]=4 51 B8R1.1 CN1C=C(CN)C=N1 OR318083 [1,1,0,0,0,0|2,0,0]=4 52 B8R1.1 NCC1=CC=C(Br)O1 OR471307 [1,1,0,0,0,0|2,0,0]=4 53 B8R1.1 NCC1=CC=C(Br)S1 OR322390 [1,1,0,0,0,0|2,0,0]=4 54 B8R1.1 NCC1=COC(N)=N1 OR471291 [1,1,0,0,0,0|1,0,1]=4 55 B8R1.1 NCC1=CSC(Br)=C1 OR321446 [1,1,0,0,0,0|2,0,0]=4 56 B8R1.7 CC(C)N1C=CN=C1 OR350202 [1,1,0,0,0,0|2,0,0]=4 57 B8R1.7 CC(O)C1=CC=CO1 OR28933 [1,1,0,0,0,0|2,0,0]=4 58 B8R1.7 FC(F)C1=CN=CO1 PC520184 [1,1,0,0,0,0|2,0,0]=4 59 B8R1.7 FC(F)C1=CN=CS1 PC520284 [1,1,0,0,0,0|2,0,0]=4 60 B8R1.7 N=C(N)C1=CC=CN1 OR305631 [1,1,0,0,0,0|1,0,1]=4 61 B8R1.11 CC1=C(CN)C=NO1 OR471264 [1,1,0,0,0,0|2,0,0]=4 62 B8R1.11 CC1=C(CN)SC=N1 OR471301 [1,1,0,0,0,0|1,0,0]=3 63 B10R1.1 NCCC1=CC=C(N)C=C1 OR350013 [0,1,0,0,0,1|2,0,0]=4 64 B10R1.4 CC1=CC=CN=C1CCN OR322555 [0,1,0,0,0,1|1,0,1]=4 65 B10R1.10 CC1=CC=CC(CCN)=N1 OR322859 [0,1,0,0,0,1|1,0,1]=4 66 B10R1.17 CCNCC1=CC=CN=C1 OR318059 [0,1,0,0,0,1|2,0,0]=4 67 B10R1.17 CCNCC1=CC=NC=C1 OR315114 [0,1,0,0,0,1|2,0,0]=4 68 B10R1.17 CNCCC1=CN=CC=C1 OR12532 [0,1,0,0,0,1|1,0,0]=3 69 B10R1.17 NCCCC1=CC=NC=C1 OR303785 [0,1,0,0,0,1|1,0,0]=3 70 B10R1.17 OCCCC1=CC=CN=C1 OR303919 [0,1,0,0,0,1|2,0,0]=4 71 B10R1.17 OCCCC1=CC=NC=C1 OR350323 [0,1,0,0,0,1|2,0,0]=4 72 B10R1.17 SCCCC1=CC=CN=C1 OR305417 [0,1,0,0,0,1|2,0,0]=4 73 B10R1.17 SCCCC1=CC=NC=C1 OR305416 [0,1,0,0,0,1|2,0,0]=4 74 B10R1.18 CC(C)CC1=CC=NC=C1 OR470882 [0,1,0,0,0,1|2,0,0]=4 75 B10R1.18 CC(N)CC1=CC=CN=C1 OR322554 [0,1,0,0,0,1|1,0,0]=3 76 B10R1.16 CC1=CN=C(CCCN)N1 OR305180 [0,2,0,0,0,0|2,0,0]=4 77 B10R1.96 CCC1=NN=C(CCN)O1 OR471579 [0,2,0,0,0,0|2,0,0]=4 78 B10R1.130 CC1=NC(C)=C(CCN)S1 OR350153 [0,2,0,0,0,0|1,0,0]=3 79 B10R1.9 COC(CN)C1=CC=CS1 OR322399 [0,2,0,0,0,0|2,0,0]=4 80 B10R1.29 CC1=C(CCCN)SC=N1 OR322651 [0,2,0,0,0,0|1,0,0]=3 81 B8R1.2 NCC1=CC=NC=N1 OR480245 [0,0,1,1,0,0|0,0,2]=4 82 B8R1.5 NC1=NC=CN=C1N OR350327 [0,0,1,1,0,0|1,0,1]=4 83 B10R2.7 C1=CC2=C(N=C1)NCC2 OR345007 [0,0,0,1,0,1|1,0,0]=3 84 B10R2.7 C1=CN=C2CCNC2=C1 OR305602 [0,0,0,1,0,1|1,0,1]=4 85 B10R2.2 NC1=NC2=C(CCC2)S1 OR111480 [0,1,0,1,0,0|2,0,0]=4 86 B10R2.16 NC1(C2=CN=CS2)CC1 OR480101 [0,1,0,1,0,0|2,0,0]=4