0 B8R1.8 CNCC1=NN=NN1 2242239 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.8 N#CCC1=CC=CS1 1287095 [0,0,0,0,0,0|2,0,2]=4 2 B8R1.8 NCCC1=CN=CN1 2816948 [0,0,0,0,0,0|0,0,0]=0 3 B8R1.8 NCCC1=CN=CN1 5662517 [0,0,0,0,0,0|0,0,0]=0 4 B8R1.8 NCCC1=CNC=N1 3354315 [0,0,0,0,0,0|0,0,2]=2 5 B8R1.8 NCCC1=CNC=N1 4434673 [0,0,0,0,0,0|0,0,2]=2 6 B8R1.8 NCCC1=CSC=N1 7020691339 [0,0,0,0,0,0|1,0,1]=2 7 B8R1.8 NCCC1=NC=CS1 1059793 [0,0,0,0,0,0|2,0,1]=3 8 B8R1.8 NCCC1=NC=CS1 3851317 [0,0,0,0,0,0|2,0,1]=3 9 B8R1.8 NCCN1C=CC=C1 1048773 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.8 NCCN1C=CC=C1 8916334 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.8 NCCN1C=CC=N1 7138650 [0,0,0,0,0,0|2,0,1]=3 12 B8R1.8 NCCN1C=CN=C1 7138652 [0,0,0,0,0,0|2,0,0]=2 13 B8R1.8 OCCC1=CC=CS1 22430596 [0,0,0,0,0,0|3,0,0]=3 14 B7R1.1 CCC1=CC=CS1 2825840 [1,0,0,0,0,0|2,0,0]=3 15 B7R1.1 CCC1=NC=CN1 2816718 [1,0,0,0,0,0|2,0,0]=3 16 B7R1.1 CCN1C=CN=C1 1217863 [1,0,0,0,0,0|2,0,0]=3 17 B7R1.1 CCN1C=CN=N1 6851998 [1,0,0,0,0,0|3,0,0]=4 18 B7R1.1 CCN1C=NC=N1 6923396 [1,0,0,0,0,0|1,0,1]=3 19 B7R1.1 NCC1=CC=CN1 7020542628 [1,0,0,0,0,0|1,0,0]=2 20 B7R1.1 NCC1=CC=CO1 1038603 [1,0,0,0,0,0|2,0,0]=3 21 B7R1.1 NCC1=CC=CS1 1038604 [1,0,0,0,0,0|2,0,0]=3 22 B7R1.1 NCC1=NC=CS1 1044145 [1,0,0,0,0,0|2,0,1]=4 23 B7R1.1 O=CC1=CC=CN1 7020420392 [1,0,0,0,0,0|2,0,1]=4 24 B7R1.1 O=CC1=CN=CN1 22430527 [1,0,0,0,0,0|1,0,1]=3 25 B7R1.1 OCC1=CC=CO1 2084339 [1,0,0,0,0,0|3,0,0]=4 26 B7R1.1 OCC1=CC=NO1 2128179 [1,0,0,0,0,0|3,0,0]=4 27 B7R1.1 OCC1=COC=C1 2816728 [1,0,0,0,0,0|3,0,0]=4 28 B9R1.7 CC1=CC(CCN)=NO1 1150833 [0,1,0,0,0,0|2,0,1]=4 29 B9R1.7 CC1=CN=C(CCN)O1 1036144 [0,1,0,0,0,0|2,0,1]=4 30 B9R1.7 CC1=CN=C(CCN)S1 7020542828 [0,1,0,0,0,0|2,0,1]=4 31 B9R1.7 CC1=CSC(CCN)=N1 15298383 [0,1,0,0,0,0|2,0,1]=4 32 B9R1.7 CC1=CSC(CCN)=N1 7018890479 [0,1,0,0,0,0|2,0,1]=4 33 B9R1.7 CC1=CSC(CCN)=N1 7110952733 [0,1,0,0,0,0|2,0,1]=4 34 B9R1.7 CC1=NC(CCN)=CN1 1202296 [0,1,0,0,0,0|0,0,2]=3 35 B9R1.7 CC1=NC(CCN)=CS1 7020410123 [0,1,0,0,0,0|1,0,1]=3 36 B9R1.7 CC1=NC(CCN)=CS1 7110950887 [0,1,0,0,0,0|1,0,1]=3 37 B9R1.7 CC1=NOC(CCN)=N1 1500003 [0,1,0,0,0,0|1,0,1]=3 38 B9R1.7 CC1=NOC(CCN)=N1 22588265 [0,1,0,0,0,0|1,0,1]=3 39 B9R1.7 CN1C=NC(CCN)=C1 3514215 [0,1,0,0,0,0|0,0,2]=3 40 B9R1.7 CN1C=NC(CCN)=N1 15298431 [0,1,0,0,0,0|1,0,2]=4 41 B9R1.7 NC1=NN=C(CCBr)S1 1169444 [0,1,0,0,0,0|3,0,0]=4 42 B9R1.7 NC1=NN=C(CCBr)S1 1705447 [0,1,0,0,0,0|3,0,0]=4 43 B9R1.7 NCCC1=CC(Cl)=CS1 11639058 [0,1,0,0,0,0|2,0,0]=3 44 B9R1.11 NCC(O)C1=CC=CS1 1055858 [0,1,0,0,0,0|2,0,0]=3 45 B9R1.12 CNCCC1=CN=CN1 4667144 [0,1,0,0,0,0|0,0,0]=1 46 B9R1.12 CNCCC1=CNC=N1 4667147 [0,1,0,0,0,0|0,0,2]=3 47 B9R1.12 N#CCCC1=CC=CS1 1655095 [0,1,0,0,0,0|2,0,1]=4 48 B9R1.12 NCCCN1C=CN=C1 7020210302 [0,1,0,0,0,0|2,0,0]=3 49 B9R1.13 NC(=O)CC1=CC=CS1 1375218 [0,1,0,0,0,0|2,0,1]=4 50 B9R1.33 CC1=NC=CN1CCN 7138653 [0,1,0,0,0,0|2,0,0]=3 51 B9R1.33 CN1C=NC=C1CCN 6850082 [0,1,0,0,0,0|0,0,0]=1 52 B9R1.33 NCCC1=C(Br)N=CN1 6095770 [0,1,0,0,0,0|0,0,0]=1 53 B9R1.8 BrCCC1=CC=CC=C1 2889217 [0,0,0,0,0,1|3,0,0]=4 54 B9R1.8 CCCC1=CC=CC=C1 2826136 [0,0,0,0,0,1|3,0,0]=4 55 B9R1.8 ClCCC1=CC=CC=C1 2827551 [0,0,0,0,0,1|3,0,0]=4 56 B9R1.8 NCCC1=CC=CC=C1 1038619 [0,0,0,0,0,1|2,0,0]=3 57 B9R1.8 NCCC1=CCCCC1 2826290 [0,0,0,0,0,1|2,0,1]=4 58 B9R1.8 NNCC1=CC=CC=C1 1972969 [0,0,0,0,0,1|3,0,0]=4 59 B9R1.8 OCCC1=CC=CC=C1 1204382 [0,0,0,0,0,1|3,0,0]=4 60 B9R1.8 OCCC1=CC=CC=N1 1204379 [0,0,0,0,0,1|2,0,1]=4 61 B6R0.6 NCCCNC=O 7020420408 [1,0,1,0,0,0|1,0,1]=4 62 B6R1.2 CC1=CC=CO1 2825319 [2,0,0,0,0,0|2,0,0]=4 63 B6R1.2 CC1=CC=CS1 2825522 [2,0,0,0,0,0|2,0,0]=4 64 B6R1.2 CC1=CC=NN1 5009700 [2,0,0,0,0,0|2,0,0]=4 65 B6R1.2 CC1=CN=CN1 22430348 [2,0,0,0,0,0|0,0,0]=2 66 B6R1.2 CC1=CSC=C1 2816743 [2,0,0,0,0,0|2,0,0]=4 67 B6R1.2 CC1=CSC=N1 1287022 [2,0,0,0,0,0|1,0,1]=4 68 B6R1.2 CC1=NC=CN1 2825323 [2,0,0,0,0,0|2,0,0]=4 69 B6R1.2 CN1C=CN=C1 2825324 [2,0,0,0,0,0|2,0,0]=4 70 B6R1.2 CN1C=NC=N1 2825329 [2,0,0,0,0,0|1,0,1]=4 71 B6R1.2 NC1=CC=NN1 1182234 [2,0,0,0,0,0|2,0,0]=4 72 B6R1.2 NC1=CN=CN1 4666719 [2,0,0,0,0,0|0,0,0]=2 73 B6R1.2 NC1=CN=NN1 11186464 [2,0,0,0,0,0|1,0,0]=3 74 B6R1.2 NC1=CN=NN1 7135529 [2,0,0,0,0,0|1,0,0]=3 75 B6R1.2 NC1=CNN=C1 2212578 [2,0,0,0,0,0|2,0,0]=4 76 B6R1.2 NC1=NC=NN1 3354136 [2,0,0,0,0,0|1,0,1]=4 77 B6R1.2 NC1=NC=NS1 1178564 [2,0,0,0,0,0|1,0,1]=4 78 B6R1.2 NC1=NN=CS1 1333491 [2,0,0,0,0,0|2,0,0]=4 79 B6R1.2 NC1=NN=NN1 5437139 [2,0,0,0,0,0|2,0,0]=4 80 B6R1.2 NC1=NNN=C1 4061487 [2,0,0,0,0,0|1,0,1]=4 81 B6R1.2 S=C1NC=NN1 7110952523 [2,0,0,0,0,0|2,0,0]=4 82 B6R1.2 SC1=NN=CN1 988462 [2,0,0,0,0,0|2,0,0]=4 83 B8R1.1 CC1=NC(CN)=CS1 7020617634 [1,1,0,0,0,0|1,0,1]=4 84 B8R1.1 CC1=NOC(CN)=N1 11181762 [1,1,0,0,0,0|1,0,1]=4 85 B8R1.1 CC1=NOC(CN)=N1 1500004 [1,1,0,0,0,0|1,0,1]=4 86 B8R1.1 CCC1=CN=C(N)S1 2223233 [1,1,0,0,0,0|1,0,0]=3 87 B8R1.1 CCC1=CN=C(S)N1 7010463 [1,1,0,0,0,0|0,0,0]=2 88 B8R1.1 CCC1=CSC(N)=N1 2220844 [1,1,0,0,0,0|1,0,1]=4 89 B8R1.1 CCC1=NC(N)=NN1 15386149 [1,1,0,0,0,0|1,0,1]=4 90 B8R1.1 CCC1=NN=C(S)N1 2826591 [1,1,0,0,0,0|1,0,0]=3 91 B8R1.1 CN1C=C(CN)C=N1 1182276 [1,1,0,0,0,0|2,0,0]=4 92 B8R1.1 CSC1=NN=C(N)N1 7020204756 [1,1,0,0,0,0|2,0,0]=4 93 B8R1.1 NCC1=CC(Cl)=CS1 11639171 [1,1,0,0,0,0|2,0,0]=4 94 B8R1.7 CC(=O)C1=CN=CS1 2422437 [1,1,0,0,0,0|1,0,1]=4 95 B8R1.7 CC(O)C1=CC=CS1 1366588 [1,1,0,0,0,0|2,0,0]=4 96 B8R1.11 CC1=C(CN)C=NN1 15298416 [1,1,0,0,0,0|2,0,0]=4 97 B8R1.11 CC1=NSN=C1CN 11639079 [1,1,0,0,0,0|1,0,1]=4 98 B8R1.11 CN1C=CN=C1CN 7020542515 [1,1,0,0,0,0|2,0,0]=4 99 B8R1.11 CN1N=NN=C1CN 2202494 [1,1,0,0,0,0|2,0,0]=4 100 B10R1.1 CC1=CC=C(CCN)C=C1 1038622 [0,1,0,0,0,1|2,0,0]=4 101 B10R1.1 NCCC1=CC=C(F)C=C1 1038624 [0,1,0,0,0,1|2,0,0]=4 102 B10R1.1 NCCC1=CC=C(O)C=C1 3463715 [0,1,0,0,0,1|2,0,0]=4 103 B10R1.4 NCCC1=C(O)C=CC=C1 2227237 [0,1,0,0,0,1|2,0,0]=4 104 B10R1.4 NCCC1=CC=CC=C1F 6051017 [0,1,0,0,0,1|2,0,0]=4 105 B10R1.10 CC1=CC=CC(CCN)=C1 1038621 [0,1,0,0,0,1|2,0,0]=4 106 B10R1.10 NCCC1=CC(Br)=CC=C1 1786240 [0,1,0,0,0,1|2,0,0]=4 107 B10R1.10 NCCC1=CC(Cl)=CC=C1 1038630 [0,1,0,0,0,1|2,0,0]=4 108 B10R1.15 CC(CN)C1=NC=CC=C1 1883428 [0,1,0,0,0,1|1,0,1]=4 109 B10R1.17 CNCCC1=CC=NC=C1 7020420399 [0,1,0,0,0,1|1,0,0]=3 110 B10R1.17 CNCCC1=NC=CC=C1 4347309 [0,1,0,0,0,1|1,0,1]=4 111 B10R1.17 NCCCC1=CC=CN=C1 1038705 [0,1,0,0,0,1|1,0,0]=3 112 B10R1.17 NCCNC1=NC=CC=N1 15298417 [0,1,0,0,0,1|1,0,1]=4 113 B10R1.17 NCCOC1=CC=CC=C1 7020330514 [0,1,0,0,0,1|2,0,0]=4 114 B10R1.17 NCCSC1=CC=CC=C1 6137840 [0,1,0,0,0,1|2,0,0]=4 115 B10R1.17 NNCCC1=CC=CC=C1 9080668 [0,1,0,0,0,1|2,0,0]=4 116 B10R1.16 CC1=NOC(CCCN)=N1 1500005 [0,2,0,0,0,0|1,0,1]=4 117 B10R1.16 CC1=NOC(CCCN)=N1 22588269 [0,2,0,0,0,0|1,0,1]=4 118 B10R1.16 CCCSC1=NN=C(N)N1 7018704999 [0,2,0,0,0,0|2,0,0]=4 119 B10R1.94 CCCC1=NN=C(S)N1N 0109110026 [0,2,0,0,0,0|2,0,0]=4 120 B10R1.96 CCC1=NC=C(CCN)N1 5981296 [0,2,0,0,0,0|0,0,0]=2 121 B10R1.131 CC1=NC(CCN)=CN1C 3514213 [0,2,0,0,0,0|0,0,2]=4 122 B10R1.6 CC(C)(CN)C1=CC=CO1 1287136 [0,2,0,0,0,0|2,0,0]=4 123 B10R1.6 CC(C)(CN)C1=CC=CS1 1287130 [0,2,0,0,0,0|2,0,0]=4 124 B10R1.11 CNCC(O)C1=CC=CS1 1055886 [0,2,0,0,0,0|2,0,0]=4 125 B10R1.21 NCCCCN1C=CN=C1 7020210323 [0,2,0,0,0,0|2,0,0]=4 126 B10R1.21 NOCCCC1=CC=CO1 1204451 [0,2,0,0,0,0|2,0,0]=4 127 B10R1.27 NC(C=O)CC1=CNC=N1 22430642 [0,2,0,0,0,0|0,0,2]=4 128 B10R1.29 NN1C=NN=C1SCCO 7211810015 [0,2,0,0,0,0|2,0,0]=4 129 B10R1.66 O=C(O)CCC1=CC=CN1 4668011 [0,2,0,0,0,0|2,0,0]=4 130 B8R1.2 NCC1=CC=CN=C1 1038606 [0,0,1,1,0,0|1,0,1]=4 131 B8R1.2 NCC1=CC=NC=C1 1038607 [0,0,1,1,0,0|1,0,1]=4 132 B8R1.18 NC1CC(=O)NC1=O 4666893 [0,0,1,1,0,0|2,0,0]=4 133 B10R2.6 C1=CC=C(C2CN2)C=C1 4194135 [0,0,0,1,0,1|2,0,0]=4 134 B10R2.7 C1=CC2=C(C=C1)NCC2 2826118 [0,0,0,1,0,1|2,0,0]=4 135 B10R2.2 NC1=NC2=C(CCC2)S1 15386197 [0,1,0,1,0,0|2,0,0]=4