0 B15R2.1154 CC1=CC(=C(C=C1)NC2=NCCN2)Cl Z1269184834 [0,0,0,0,0,0|0,0,0]=0 1 B14R2.50 ClC1=C(C=CC=C1)/N=C/2\NCCS2 Z48963560 [1,0,0,0,0,0|1,0,1]=3 2 B14R2.50 ClC1=C(C=CC=C1)CC2CCCN2 Z802665944 [1,0,0,0,0,0|2,0,1]=4 3 B14R2.50 IC1=C(C=CC=C1)/N=C/2\CCCN2 Z55927720 [1,0,0,0,0,0|1,1,1]=4 4 B14R2.72 CC1=CC=C(C=C1)/N=C\2/CCCN2 Z55927692 [1,0,0,0,0,0|1,0,1]=3 5 B14R2.72 CC1=CC=C(C=C1)CC2=NN=NN2 Z335295264 [1,0,0,0,0,0|3,0,0]=4 6 B14R2.72 CC1=CC=C(C=C1)CC2CCCN2 Z382710498 [1,0,0,0,0,0|2,0,1]=4 7 B14R2.72 CC1=CC=C(C=C1)NC2CCCC2 Z4307810361 [1,0,0,0,0,0|2,0,1]=4 8 B14R2.72 FC1=CC=C(C=C1)/N=C\2/CCCN2 Z55927666 [1,0,0,0,0,0|2,0,1]=4 9 B16R2.316 CC1=CC(=C(C=C1)NC2=NC(=O)CS2)C Z56839776 [0,1,0,0,0,0|2,0,1]=4 10 B16R2.316 CC1=CC(=C(C=C1)NC2=NC(CS2)C)C Z56838556 [0,1,0,0,0,0|2,0,0]=3 11 B14R1.6823 CC1=CC(=C(C=C1)NC(=O)CCN)Cl Z1263529574 [0,0,1,0,0,0|3,0,0]=4 12 B14R1.6823 CCCC(=O)NC1=C(C=C(C=C1)C)C Z27801622 [0,0,1,0,0,0|3,0,0]=4 13 B14R1.6823 CCCC(=O)NC1=C(C=C(C=C1)C)Cl Z30261837 [0,0,1,0,0,0|2,0,0]=3 14 B14R1.6823 CCCC(=O)NC1=C(C=C(C=C1)C)O Z33452085 [0,0,1,0,0,0|3,0,0]=4 15 B14R1.6823 CCNC(=O)NC1=C(C=C(C=C1)F)Br Z385457552 [0,0,1,0,0,0|2,1,0]=4 16 B14R1.6823 CCNC(=O)NC1=C(C=C(C=C1)F)F Z44602727 [0,0,1,0,0,0|2,1,0]=4 17 B14R1.6823 CCNC(=S)NC1=C(C=C(C=C1)C)Br Z45758754 [0,0,1,0,0,0|1,1,0]=3 18 B14R1.6823 CCNC(=S)NC1=C(C=C(C=C1)C)Cl Z45810219 [0,0,1,0,0,0|1,0,0]=2 19 B14R1.6823 COCC(=O)NC1=C(C=C(C=C1)C)Cl Z32006642 [0,0,1,0,0,0|3,0,0]=4 20 B14R1.6823 CSCC(=O)NC1=C(C=C(C=C1)C)Cl Z30261143 [0,0,1,0,0,0|3,0,0]=4 21 B14R2.739 CC1=CC(=C(C=C1)C2=NN=NN2)F Z972660510 [0,0,0,0,1,0|2,1,0]=4 22 B14R2.739 ClC1=CC(=C(C=C1)C2=NN=NN2)Cl Z1269135112 [0,0,0,0,1,0|3,0,0]=4 23 B14R2.739 NC1=C(C=CC(=C1)Br)C2=NCCO2 Z2830598017 [0,0,0,0,1,0|3,0,0]=4 24 B16R2.3000 CC1=CC(=C(C=C1)NCC2=NC=CN2)F Z825759510 [0,0,0,0,0,1|0,1,2]=4 25 B16R2.3000 FC1=C(C=CC(=C1)Cl)CNC2=NCCN2 Z2568297797 [0,0,0,0,0,1|1,1,0]=3 26 B16R2.3000 FC1=CC(=C(C=C1)CSC2=NCCN2)Br Z232328908 [0,0,0,0,0,1|2,1,0]=4 27 B16R2.3000 FC1=CC(=C(C=C1)CSC2=NCCN2)Cl Z223030466 [0,0,0,0,0,1|2,0,0]=3 28 B13R1.19 CCNC(=O)NC1=CC=C(C=C1)C Z44589983 [1,0,1,0,0,0|1,0,0]=3 29 B13R1.19 CCNC(=O)NC1=CC=C(C=C1)F Z44586779 [1,0,1,0,0,0|2,0,0]=4 30 B13R1.470 CCCC(=O)NC1=C(C=CC=C1)Cl Z27812177 [1,0,1,0,0,0|2,0,0]=4 31 B13R1.470 CCNC(=O)NC1=C(C=CC=C1)F Z44591387 [1,0,1,0,0,0|1,1,0]=4 32 B13R1.2679 CC1=CC(=C(C=C1)NC(=O)CCl)Cl Z56896249 [1,0,1,0,0,0|2,0,0]=4 33 B13R1.2679 CC1=CC(=C(C=C1)NC(=O)CN)Cl Z1262246168 [1,0,1,0,0,0|2,0,0]=4 34 B13R1.2679 CC1=CC(=C(C=C1)NC(=O)CO)Cl Z228585442 [1,0,1,0,0,0|2,0,0]=4 35 B13R1.2679 CCC(=O)NC1=C(C=C(C=C1)C)C Z27801645 [1,0,1,0,0,0|2,0,0]=4 36 B13R1.2679 CCC(=O)NC1=C(C=C(C=C1)C)O Z33452106 [1,0,1,0,0,0|2,0,0]=4 37 B13R1.2679 CCC(=O)NC1=C(C=C(C=C1)F)Cl Z30833038 [1,0,1,0,0,0|2,0,0]=4 38 B13R1.2679 CNC(=S)NC1=C(C=C(C=C1)C)Br Z45758751 [1,0,1,0,0,0|1,1,0]=4 39 B13R2.64 C1=CC(=CN=C1)NC2=NCCS2 Z234896765 [2,0,0,0,0,0|2,0,0]=4 40 B13R2.64 C1=CC=C(C=C1)CC2=NCCN2 Z1255415487 [2,0,0,0,0,0|1,0,0]=3 41 B13R2.64 C1=CC=C(C=C1)NC2=NCCS2 Z56755591 [2,0,0,0,0,0|1,0,0]=3 42 B15R1.5927 C=CCNC(=O)NC1=C(C=C(C=C1)C)Cl Z409791848 [0,1,1,0,0,0|1,0,1]=4 43 B15R1.5927 C=CCNC(=S)NC1=C(C=C(C=C1)C)Cl Z45810215 [0,1,1,0,0,0|1,0,1]=4 44 B15R1.5927 CC1=CC(=C(C=C1)NC(=O)NCCO)C Z445994668 [0,1,1,0,0,0|2,0,0]=4 45 B15R1.5927 CCCNC(=O)NC1=C(C=C(C=C1)F)Cl Z44603149 [0,1,1,0,0,0|2,0,0]=4 46 B15R1.8426 CC(C)NC(=O)NC1=C(C=C(C=C1)F)Cl Z371867930 [0,1,1,0,0,0|2,0,0]=4 47 B15R1.37637 CCCC(=O)NC1=C(C=C(C=C1C)C)Cl Z29388777 [0,1,1,0,0,0|2,0,0]=4 48 B15R2.305 CC1=C(C=CC=C1)NC2=NCC(S2)C Z56872063 [1,1,0,0,0,0|2,0,0]=4 49 B15R2.1109 CC1=C(C=CC=C1Cl)NC2=NCCS2 Z56904587 [1,1,0,0,0,0|2,0,0]=4 50 B15R2.15371 ClC1=CC=CC(=C1/N=C/2\CCCN2)Cl Z55927672 [1,1,0,0,0,0|1,0,1]=4 51 B15R2.15371 ClC1=CC=CC(=C1NC2=NCCN2)Cl Z1695759754 [1,1,0,0,0,0|0,0,0]=2 52 B15R2.34 CCC1=CC=C(C=C1)/N=C\2/NCCS2 Z48963565 [1,1,0,0,0,0|1,0,1]=4 53 B15R2.34 COC1=CC=C(C=C1)/N=C\2/CCCN2 Z55927696 [1,1,0,0,0,0|1,0,1]=4 54 B15R2.34 COC1=CC=C(C=C1)NC2=NCCN2 Z57186564 [1,1,0,0,0,0|0,0,0]=2 55 B15R2.34 COC1=CC=C(C=C1)NC2=NCCS2 Z56837061 [1,1,0,0,0,0|1,0,0]=3 56 B15R2.92 CC1=C(C=C(C=C1)/N=C\2/NCCS2)Cl Z48963555 [1,1,0,0,0,0|1,0,1]=4 57 B15R2.92 ClC1=C(C=C(C=C1)NC2=NCCS2)Cl Z56881227 [1,1,0,0,0,0|2,0,0]=4 58 B15R2.98 CC1=CC=C(C=C1)NC2=NC(=O)CS2 Z56836877 [1,1,0,0,0,0|1,0,1]=4 59 B15R2.98 CC1=CC=C(C=C1)NC2=NCC(S2)C Z56872081 [1,1,0,0,0,0|1,0,0]=3 60 B15R2.98 CC1CN=C(S1)NC2=CC=C(C=C2)Cl Z56838465 [1,1,0,0,0,0|2,0,0]=4 61 B17R2.3478 CC(NC1=NCCN1)C2=C(C=C(C=C2)Cl)Cl Z992291078 [0,1,0,0,0,1|1,0,0]=3 62 B17R2.3478 CC1=CC(=C(C=C1)C(=O)NC2=NCCS2)C Z30009282 [0,1,0,0,0,1|2,0,0]=4 63 B17R2.3478 O=C(NC1=NCCS1)C2=C(C=C(C=C2)Cl)Cl Z30009135 [0,1,0,0,0,1|2,0,0]=4 64 B17R2.3478 O=C(NC1=NCCS1)C2=C(C=C(C=C2)F)Cl Z30009363 [0,1,0,0,0,1|2,0,0]=4 65 B17R2.10574 CCC1CSC(=N1)NC2=C(C=C(C=C2)C)C Z56828410 [0,2,0,0,0,0|2,0,0]=4 66 B17R2.157255 CC1=CC(=C(C=C1)NC2=NC(CS2)(C)C)C Z56838557 [0,2,0,0,0,0|2,0,0]=4 67 B15R2.10368 NCCC1=CNC2=C1C=C(C=C2Cl)Cl Z2239077736 [0,0,1,1,0,0|2,0,0]=4 68 B15R2.10368 NCCC1=CNC2=C1C=C(C=C2Cl)F Z4097796575 [0,0,1,1,0,0|2,0,0]=4 69 B15R3.4266 C1=CC2=C(C=C1)NC3=NCCN3C2 Z2092177512 [1,0,0,1,0,0|1,0,0]=3 70 B15R3.10591 NC1=CC2=C(C=C1)SC3=NCCN23 Z448248214 [1,0,0,1,0,0|2,0,0]=4 71 B13R1.1511 CCNC(=O)C1=C(C=C(C=C1)Cl)Cl Z32024432 [0,0,1,0,1,0|2,0,0]=4 72 B13R1.1511 CCNC(=O)C1=C(C=C(C=C1)F)Cl Z32024895 [0,0,1,0,1,0|2,0,0]=4 73 B13R1.1511 CCNC(=O)C1=C(C=C(C=C1)I)Cl Z1090275550 [0,0,1,0,1,0|2,0,0]=4 74 B13R2.18 ClC1=C(C=CC=C1)C2=NC=NN2 Z108564448 [1,0,0,0,1,0|1,0,1]=4 75 B13R2.18 ClC1=C(C=CC=C1)C2CCCN2 Z281773778 [1,0,0,0,1,0|1,0,1]=4 76 B13R2.12 CC1=CC=C(C=C1)C2=NCCN2 Z283690302 [1,0,0,0,1,0|0,0,0]=2 77 B13R2.12 CC1=CC=C(C=C1)C2CCCN2 Z281773826 [1,0,0,0,1,0|1,0,1]=4 78 B13R2.12 ClC1=CC=C(C=C1)C2=NCCN2 Z235362997 [1,0,0,0,1,0|1,0,0]=3 79 B15R1.462 C/N=C(\NC)/NCC1=C(C=C(C=C1)C)C Z1090027016 [0,0,1,0,0,1|1,0,0]=3 80 B15R1.462 C/N=C(\NC)/NCC1=C(C=C(C=C1)F)F Z1090035336 [0,0,1,0,0,1|1,1,0]=4 81 B15R2.38 CC1=C(C=CC=C1)NC2=NCCCS2 Z56823080 [1,0,0,0,0,1|2,0,0]=4 82 B15R2.38 ClC1=C(C=CC=C1)NC2=NCCCS2 Z56877816 [1,0,0,0,0,1|1,0,0]=3 83 B15R2.562 BrC1=C(C=CC=C1)CSC2=NCCN2 Z228497876 [1,0,0,0,0,1|1,1,0]=4 84 B15R2.562 FC1=C(C=CC=C1)CSC2=NCCN2 Z57470394 [1,0,0,0,0,1|1,1,0]=4 85 B15R2.100 CC1=CC=C(C=C1)CSC2=NCCS2 Z19630672 [1,0,0,0,0,1|2,0,0]=4 86 B15R2.100 CC1=CC=C(C=C1)NCC2=NC=CN2 Z825759194 [1,0,0,0,0,1|0,0,2]=4 87 B15R2.100 ClC1=CC=C(C=C1)CNC2=NCCS2 Z367660566 [1,0,0,0,0,1|2,0,0]=4 88 B15R2.100 ClC1=CC=C(C=C1)CSC2=NCCN2 Z48834205 [1,0,0,0,0,1|2,0,0]=4 89 B15R2.100 FC1=CC=C(C=C1)CSC2=NCCN2 Z48834218 [1,0,0,0,0,1|2,0,0]=4 90 B17R2.5360 CC1=CC(=C(C=C1)CNC2=NCCCN2)C Z1090027030 [0,0,0,0,0,2|1,0,0]=3 91 B17R2.5360 ClC1=CC(=C(C=C1)CSC2=NCCCN2)Cl Z224028374 [0,0,0,0,0,2|2,0,0]=4