0 B13R2.64 C1=CC=C(CC2CCNC2)C=C1 4042868 [0,0,0,0,0,0|1,0,3]=4 1 B14R2.19 BrC1=CN(CC2=CC=CC=C2)N=C1 9001516 [0,1,0,0,0,0|2,0,0]=3 2 B14R2.19 ClC1=NNC(CC2=CC=CC=C2)=N1 4018523 [0,1,0,0,0,0|1,0,1]=3 3 B14R2.19 NC1=CN(CC2=CC=CC=C2)N=C1 4029886 [0,1,0,0,0,0|2,0,0]=3 4 B14R2.19 NC1=NC(CC2=CC=CC=C2)=NN1 4015723 [0,1,0,0,0,0|1,0,0]=2 5 B14R2.19 NC1=NC=C(CC2=CC=CC=C2)S1 4006047 [0,1,0,0,0,0|1,0,1]=3 6 B14R2.19 NC1=NN(CC2=CC=CC=C2)C=C1 4031721 [0,1,0,0,0,0|2,0,0]=3 7 B14R2.19 NC1=NN=C(CC2=CC=CC=C2)S1 5314675 [0,1,0,0,0,0|2,0,1]=4 8 B14R2.19 O=C1CC(CC2=CC=CC=C2)CN1 4026758 [0,1,0,0,0,0|1,0,2]=4 9 B14R2.30 NC1=CC=NN1CC2=CC=CC=C2 4013055 [0,1,0,0,0,0|2,0,0]=3 10 B14R2.30 NC1=CC=NN1CC2=CC=CN=C2 4014314 [0,1,0,0,0,0|3,0,0]=4 11 B14R2.30 NC1=CC=NN1CC2=CC=NC=C2 4014313 [0,1,0,0,0,0|3,0,0]=4 12 B14R2.30 O=C1NCCN1CC2=CC=CC=C2 4040295 [0,1,0,0,0,0|2,0,1]=4 13 B14R2.72 BrC1=CC=C(CN2C=CN=C2)C=C1 9001713 [0,1,0,0,0,0|2,0,1]=4 14 B14R2.114 NC(C1=CC=CC=C1)C2=CC=CO2 4003864 [0,1,0,0,0,0|2,0,0]=3 15 B14R2.114 NC(C1=CC=CC=C1)C2=CC=CO2 4089262 [0,1,0,0,0,0|2,0,0]=3 16 B14R2.114 NC(C1=CC=CC=C1)C2=CC=CS2 4027663 [0,1,0,0,0,0|2,0,0]=3 17 B14R2.114 OC(C1=CC=CN=C1)C2=CC=CS2 4001442 [0,1,0,0,0,0|3,0,0]=4 18 B14R2.716 NC1=CC(CN2C=NC=N2)=CC=C1 4011704 [0,1,0,0,0,0|1,0,1]=3 19 B12R2.2 C1=CC(C2=NC=CN2)=CN=C1 4032611 [0,0,0,0,1,0|3,0,0]=4 20 B12R2.2 C1=CC(C2=NNC=C2)=CC=N1 4032048 [0,0,0,0,1,0|3,0,0]=4 21 B12R2.2 C1=CC=C(C2=NNC=N2)N=C1 4035532 [0,0,0,0,1,0|2,0,0]=3 22 B12R2.2 C1=CN=C(C2=NC=CN2)C=C1 4029641 [0,0,0,0,1,0|3,0,0]=4 23 B12R2.2 C1=CN=CC(C2=NNC=C2)=C1 4030351 [0,0,0,0,1,0|3,0,0]=4 24 B11R1.28 C=CCNCC1=CC=CC=C1 4090793 [1,0,1,0,0,0|2,0,0]=4 25 B11R1.28 C=CCNCC1=CC=CC=C1 9070780 [1,0,1,0,0,0|2,0,0]=4 26 B11R1.40 NNC(=O)CC1=CC=CC=C1 3002732 [1,0,1,0,0,0|1,0,1]=4 27 B13R2.10 BrC1=NC(C2=CC=CC=C2)=CS1 4041506 [0,1,0,0,1,0|1,0,0]=3 28 B13R2.10 BrC1=NNC(C2=CC=CC=C2)=N1 4036054 [0,1,0,0,1,0|1,0,1]=4 29 B13R2.10 BrC1=NOC(C2=CC=CC=C2)=N1 4031107 [0,1,0,0,1,0|1,0,1]=4 30 B13R2.10 CC1=NC(C2=CC=CC=C2)=CN1 4030068 [0,1,0,0,1,0|0,0,0]=2 31 B13R2.10 ClC1=NOC(C2=CC=CC=C2)=N1 4039921 [0,1,0,0,1,0|1,0,1]=4 32 B13R2.10 NC1=NC(C2=CC=CC=C2)=NN1 4002340 [0,1,0,0,1,0|1,0,0]=3 33 B13R2.10 NC1=NC(C2=CC=CC=N2)=CS1 4027446 [0,1,0,0,1,0|2,0,0]=4 34 B13R2.10 NC1=NC(C2=CC=CN=C2)=CS1 4027852 [0,1,0,0,1,0|2,0,0]=4 35 B13R2.10 NC1=NC(C2=CC=NC=C2)=CS1 4043904 [0,1,0,0,1,0|2,0,0]=4 36 B13R2.10 NC1=NC(C2=CC=NC=C2)=NN1 4014290 [0,1,0,0,1,0|2,0,0]=4 37 B13R2.10 NC1=NC(C2=CN=CC=C2)=NN1 4006355 [0,1,0,0,1,0|2,0,0]=4 38 B13R2.10 NC1=NOC(C2=CC=CC=C2)=N1 5217756 [0,1,0,0,1,0|1,0,1]=4 39 B13R2.10 O=C1NC=C(C2=CC=CC=C2)N1 4041435 [0,1,0,0,1,0|0,0,1]=3 40 B13R2.10 SC1=NC(C2=CC=CC=C2)=CN1 4010221 [0,1,0,0,1,0|0,0,0]=2 41 B13R2.12 BrC1=CC=C(C2=NNN=N2)C=C1 4045069 [0,1,0,0,1,0|2,0,0]=4 42 B13R2.12 NC1=CC=C(C2=CC=CO2)C=C1 4003073 [0,1,0,0,1,0|2,0,0]=4 43 B13R2.12 NC1=CC=C(C2=CC=CO2)C=C1 4088504 [0,1,0,0,1,0|2,0,0]=4 44 B13R2.12 NC1=CC=C(C2=CNN=C2)C=C1 4036417 [0,1,0,0,1,0|2,0,0]=4 45 B13R2.12 NC1=CC=C(C2=CSC=N2)C=C1 4010333 [0,1,0,0,1,0|1,0,0]=3 46 B13R2.12 NC1=CC=C(N2C=CC=N2)C=C1 4089268 [0,1,0,0,1,0|2,0,0]=4 47 B13R2.12 NC1=CC=C(N2C=CC=N2)C=C1 4102901 [0,1,0,0,1,0|2,0,0]=4 48 B13R2.13 NC1=CC(C2=CSC=N2)=CC=C1 4010332 [0,1,0,0,1,0|1,0,0]=3 49 B13R2.13 NC1=CC(N2C=CC=N2)=CC=C1 4010598 [0,1,0,0,1,0|2,0,0]=4 50 B13R2.13 NC1=CC(N2C=NC=N2)=CC=C1 4030979 [0,1,0,0,1,0|1,0,1]=4 51 B13R2.13 NC1=CC=CC(C2=CC=CO2)=C1 4003071 [0,1,0,0,1,0|2,0,0]=4 52 B13R2.13 NC1=CC=CC(C2=CC=CO2)=C1 4089674 [0,1,0,0,1,0|2,0,0]=4 53 B13R2.13 NC1=CC=CC(C2=CN=CN2)=C1 4087745 [0,1,0,0,1,0|0,0,2]=4 54 B13R2.15 BrC1=C(C2=CC=CC=C2)N=CN1 6283910 [0,1,0,0,1,0|0,0,0]=2 55 B13R2.15 NC1=NON=C1C2=CC=CC=C2 4042948 [0,1,0,0,1,0|1,0,1]=4 56 B13R2.15 O=C1NC=CN1C2=CC=CC=C2 4048741 [0,1,0,0,1,0|2,0,0]=4 57 B13R2.18 BrC1=C(C2=CNC=N2)C=CC=C1 4030627 [0,1,0,0,1,0|0,0,0]=2 58 B13R2.18 CC1=CC=CC=C1C2=NNN=N2 4029839 [0,1,0,0,1,0|2,0,0]=4 59 B13R2.18 NC1=C(N2C=CC=N2)C=CC=C1 4027855 [0,1,0,0,1,0|2,0,0]=4 60 B15R2.29 NC1=CC=C(OC2=CC=CN=C2)C=C1 4009240 [0,1,0,0,0,1|2,0,0]=4 61 B15R2.29 NC1=CN=C(NC2=CC=CC=C2)C=C1 4021958 [0,1,0,0,0,1|2,0,0]=4 62 B15R2.29 NC1=CN=C(OC2=CC=CC=C2)C=C1 4008772 [0,1,0,0,0,1|2,0,0]=4 63 B15R2.38 NC1=CC=CC=C1OC2=CN=CC=C2 4010399 [0,1,0,0,0,1|2,0,0]=4 64 B15R2.100 NC1=CC=C(OCC2=CC=CO2)C=C1 4010401 [0,1,0,0,0,1|2,0,0]=4 65 B15R2.100 NC1=CC=C(OCC2=CC=CS2)C=C1 4010406 [0,1,0,0,0,1|2,0,0]=4 66 B15R2.100 NC1=CC=C(SCC2=CC=CO2)C=C1 4010397 [0,1,0,0,0,1|2,0,0]=4 67 B15R2.283 NC1=NC(CCC2=CC=CC=C2)=NN1 4015724 [0,1,0,0,0,1|1,0,0]=3 68 B15R2.283 NC1=NNC(NCC2=CC=CC=C2)=N1 4022738 [0,1,0,0,0,1|1,0,1]=4 69 B15R2.562 NC1=CC=CC=C1OCC2=CC=CO2 4010400 [0,1,0,0,0,1|2,0,0]=4 70 B15R2.562 NC1=CC=CC=C1OCC2=CC=CO2 4090140 [0,1,0,0,0,1|2,0,0]=4 71 B15R2.1259 NC(CN1C=CC=N1)C2=CC=CC=C2 4011403 [0,1,0,0,0,1|2,0,0]=4 72 B15R2.1259 NC(CN1C=CC=N1)C2=CC=CC=C2 4089133 [0,1,0,0,0,1|2,0,0]=4 73 B15R2.15 NCC1=CN(CC2=CC=CC=C2)N=C1 4001670 [0,2,0,0,0,0|2,0,0]=4 74 B15R2.15 NCC1=CN(CC2=CC=CC=C2)N=C1 4087754 [0,2,0,0,0,0|2,0,0]=4 75 B15R2.15 NCC1=CSC(CC2=CC=CC=C2)=N1 4003975 [0,2,0,0,0,0|2,0,0]=4 76 B15R2.15 NCC1=NC(CC2=CC=CC=C2)=NO1 4002480 [0,2,0,0,0,0|2,0,0]=4 77 B15R2.15 NCC1=NOC(CC2=CC=CC=C2)=N1 4028414 [0,2,0,0,0,0|1,0,1]=4 78 B15R2.15 O=CC1=CN(CC2=CC=CC=C2)N=C1 4301519 [0,2,0,0,0,0|2,0,0]=4 79 B15R2.98 NC1=CN(CC2=CC=C(F)C=C2)N=C1 4031990 [0,2,0,0,0,0|2,0,0]=4 80 B15R2.98 NC1=CN(CC2=CC=C(F)C=C2)N=C1 4088594 [0,2,0,0,0,0|2,0,0]=4 81 B15R2.305 NC1=NC=C(CC2=C(F)C=CC=C2)S1 4003563 [0,2,0,0,0,0|1,0,1]=4 82 B15R2.325 CC1=CC(N)=NN1CC2=CC=CC=C2 4031251 [0,2,0,0,0,0|2,0,0]=4 83 B15R2.325 CC1=NN(CC2=CC=CC=C2)C(N)=C1 4013080 [0,2,0,0,0,0|2,0,0]=4 84 B15R2.325 ClC1=NN(CC2=CC=CC=C2)C(Cl)=N1 4041292 [0,2,0,0,0,0|1,0,1]=4 85 B15R2.325 O=C1NC(Cl)=NN1CC2=CC=CC=C2 4040063 [0,2,0,0,0,0|1,0,0]=3 86 B15R2.1115 NC1=CN(CC2=CC=CC(F)=C2)N=C1 4030128 [0,2,0,0,0,0|2,0,0]=4 87 B15R2.1115 NC1=CN(CC2=CC=CC(F)=C2)N=C1 4090181 [0,2,0,0,0,0|2,0,0]=4 88 B15R2.4083 CC1=C(N)N(CC2=CC=CC=C2)N=C1 4014367 [0,2,0,0,0,0|2,0,0]=4 89 B15R2.335 NC1=CC=NN1CC2=CC(F)=CC=C2 4014320 [0,2,0,0,0,0|2,0,0]=4 90 B15R2.355 CC1=NNC(C)=C1CC2=CC=CC=C2 4033156 [0,2,0,0,0,0|2,0,0]=4 91 B15R2.359 NC1=CC=NN1CC2=C(Cl)C=CC=C2 4014303 [0,2,0,0,0,0|2,0,0]=4 92 B15R2.395 CC(C1=CC=CC=C1)N2N=CC=C2N 4013059 [0,2,0,0,0,0|2,0,0]=4 93 B15R2.395 CN1C=CC=C1C(N)C2=CC=CC=C2 4028056 [0,2,0,0,0,0|1,0,1]=4 94 B15R2.395 CN1C=CN=C1C(N)C2=CC=CC=C2 4021997 [0,2,0,0,0,0|2,0,0]=4 95 B15R2.395 CN1C=CN=C1C(N)C2=CC=CC=C2 4108202 [0,2,0,0,0,0|2,0,0]=4 96 B15R2.395 CN1C=CN=C1C(O)C2=CC=CC=C2 4001285 [0,2,0,0,0,0|2,0,0]=4 97 B15R2.1510 NC1=CC=NN1CC2=CC=C(Cl)C=C2 4014302 [0,2,0,0,0,0|2,0,0]=4 98 B15R2.1510 NC1=CC=NN1CC2=CC=C(Cl)C=C2 4087868 [0,2,0,0,0,0|2,0,0]=4 99 B15R2.123 NCC1=CC=CC=C1CN2C=CC=N2 4011477 [0,2,0,0,0,0|2,0,0]=4 100 B15R2.123 O=CC1=CC=CC=C1CN2C=CC=N2 4011475 [0,2,0,0,0,0|2,0,0]=4 101 B15R2.358 CC1=CC=CC=C1C(N)C2=CC=CS2 4031269 [0,2,0,0,0,0|2,0,0]=4 102 B15R2.358 CC1=CC=CC=C1C(N)C2=CC=CS2 4091133 [0,2,0,0,0,0|2,0,0]=4 103 B15R2.34 O=CC1=CC=C(CN2C=CC=N2)C=C1 4011465 [0,2,0,0,0,0|2,0,0]=4 104 B15R2.91 CC1=CC=C(C(N)C2=CC=CS2)C=C1 4030964 [0,2,0,0,0,0|2,0,0]=4 105 B15R2.91 CC1=CC=C(C(N)C2=CC=CS2)C=C1 4089187 [0,2,0,0,0,0|2,0,0]=4 106 B15R2.91 NC1=CC=C(C(O)C2=CC=CS2)C=C1 4003093 [0,2,0,0,0,0|2,0,0]=4 107 B15R2.1108 CC1=CC(C(N)C2=CC=CS2)=CC=C1 4030785 [0,2,0,0,0,0|2,0,0]=4 108 B15R2.1108 CC1=CC(C(N)C2=CC=CS2)=CC=C1 4088995 [0,2,0,0,0,0|2,0,0]=4 109 B15R2.1108 NC1=CC(C(O)C2=CC=CS2)=CC=C1 4003094 [0,2,0,0,0,0|2,0,0]=4 110 B15R2.2053 O=CC1=CC(CN2C=CC=N2)=CC=C1 4011471 [0,2,0,0,0,0|2,0,0]=4 111 B13R2.1613 NNC1=NC=CC2=CC=CC=C21 4033979 [0,0,1,1,0,0|1,0,1]=4 112 B13R2.1613 NNC1=NC=CC2=CC=CC=C21 4090099 [0,0,1,1,0,0|1,0,1]=4 113 B13R2.1613 NNC1=NC=NC2=CC=CC=C21 4004613 [0,0,1,1,0,0|2,0,0]=4 114 B11R2.2 C1=CSC(C2=CNC=N2)=C1 4034945 [0,0,0,0,2,0|1,0,0]=3