0 B12R2.18 CC1=C(Br)C2=C(N=CC=C2)N1 SPC-j773 [0,0,0,0,0,0|3,0,0]=3 1 B12R2.18 CC1=C(I)C2=C(N=CC=C2)N1 SPC-k472 [0,0,0,0,0,0|3,0,0]=3 2 B12R2.18 CN1C(=O)CC2=C1C=NC=C2 SPC-v372 [0,0,0,0,0,0|4,0,0]=4 3 B12R2.18 CN1C(=O)CC2=C1N=CC=C2 SPC-k509 [0,0,0,0,0,0|4,0,0]=4 4 B12R2.18 C[C@@H]1C(=O)NC2=C1C=CC=N2 SPC-h517 [0,0,0,0,0,0|2,0,0]=2 5 B12R2.18 O=C1NC2=C(C=CC=N2)C1=O SPC-s172 [0,0,0,0,0,0|1,0,1]=2 6 B11R2.1 BrC1=CNC2=C1C=CC=N2 SPC-g361 [1,0,0,0,0,0|2,0,0]=3 7 B11R2.1 BrC1=CNC2=C1C=NC=N2 SPC-j381 [1,0,0,0,0,0|3,0,0]=4 8 B11R2.1 BrC1=CNC2=NC=CN=C12 SPC-k193 [1,0,0,0,0,0|3,0,0]=4 9 B11R2.1 BrC1=NNC2=C1C=CC=N2 SPC-g949 [1,0,0,0,0,0|3,0,0]=4 10 B11R2.1 CC1=CNC2=C1C=CC=C2 SPC-g422 [1,0,0,0,0,0|3,0,0]=4 11 B11R2.1 CC1=CNC2=NC=CC=C12 SPC-h202 [1,0,0,0,0,0|2,0,0]=3 12 B11R2.1 ClC1=CNC2=C1C=CC=C2 SPC-n094 [1,0,0,0,0,0|3,0,0]=4 13 B11R2.1 ClC1=CNC2=C1C=CC=N2 SPC-j246 [1,0,0,0,0,0|2,0,0]=3 14 B11R2.1 ClC1=NNC2=C1C=CC=N2 SPC-m450 [1,0,0,0,0,0|3,0,0]=4 15 B11R2.1 IC1=CNC2=NC=CN=C12 SPC-j160 [1,0,0,0,0,0|3,0,0]=4 16 B11R2.1 IC1=NNC2=C1C=CC=N2 SPC-g762 [1,0,0,0,0,0|3,0,0]=4 17 B11R2.1 NC1=NNC2=NC=CC=C12 SPC-j086 [1,0,0,0,0,0|3,0,0]=4 18 B11R2.10 BrC1=CC2=C(N=CN=C2)N1 SPC-s390 [1,0,0,0,0,0|3,0,0]=4 19 B11R2.10 BrC1=NC2=C(N=CC=C2)N1 SPC-t505 [1,0,0,0,0,0|1,0,1]=3 20 B11R2.10 CC1=CC2=CC=CN=C2N1 SPC-g795 [1,0,0,0,0,0|2,0,0]=3 21 B11R2.10 CC1=CC2=CN=CN=C2N1 SPC-k495 [1,0,0,0,0,0|3,0,0]=4 22 B11R2.10 IC1=CC2=C(N=CC=C2)N1 SPC-m127 [1,0,0,0,0,0|2,0,0]=3 23 B11R2.10 IC1=CC2=C(N=CN=C2)N1 SPC-s402 [1,0,0,0,0,0|3,0,0]=4 24 B11R2.10 O=C1CC2=C(C=CN=C2)N1 SPC-j040 [1,0,0,0,0,0|3,0,0]=4 25 B11R2.10 O=C1CC2=C(C=NC=C2)N1 SPC-j324 [1,0,0,0,0,0|3,0,0]=4 26 B11R2.10 O=C1CC2=C(N=CC=C2)N1 SPC-g779 [1,0,0,0,0,0|1,0,0]=2 27 B11R2.10 O=C1CC2=C(N=CC=C2)N1 SPC-j021 [1,0,0,0,0,0|1,0,0]=2 28 B11R2.10 O=C1CC2=C(N=CN=C2)N1 SPC-i211 [1,0,0,0,0,0|2,0,0]=3 29 B13R2.3028 CN1C(=O)CC2=C1C=C(N)C=C2 SPC-j070 [0,1,0,0,0,0|3,0,0]=4 30 B13R2.3028 O=C1NC2=C(C=C(I)C=C2)C1=O SPC-p708 [0,1,0,0,0,0|2,0,1]=4 31 B13R2.4825 C[C@@H]1C(=O)NC2=C(F)C=CC=C21 SPC-q924 [0,1,0,0,0,0|3,0,0]=4 32 B13R2.4856 C[C@@H]1C(=O)NC2=NC=CC(Cl)=C21 SPC-p471 [0,1,0,0,0,0|2,0,0]=3 33 B13R2.5190 CN1C(=O)CC2=C1C=CC(N)=C2 SPC-u462 [0,1,0,0,0,0|3,0,0]=4 34 B13R2.5190 C[C@@H]1C(=O)NC2=C1C=NC(Cl)=N2 SPC-p202 [0,1,0,0,0,0|3,0,0]=4 35 B13R2.5190 O=C1NC2=C(C=CC(Br)=C2)C1=O SPC-s387 [0,1,0,0,0,0|2,0,1]=4 36 B11R1.40 COC(=O)CC1=NC=CC=C1 SPC-j372 [0,0,1,0,0,0|3,0,0]=4 37 B13R2.369 C[C@@H]1NC2=C(C=CC=C2)NC1=O SPC-k116 [0,0,0,0,0,1|3,0,0]=4 38 B13R2.369 O=C1NC2=C(C=CC=C2)N=C1Cl SPC-p357 [0,0,0,0,0,1|3,0,0]=4 39 B10R1.61 CC(=O)C1=C(N)N=CC=C1 SPC-r191 [1,0,1,0,0,0|2,0,0]=4 40 B10R1.61 NC1=C([N+](=O)[O-])C=CC=N1 SPC-h713 [1,0,1,0,0,0|0,0,2]=4 41 B10R1.61 O=C(O)C1=CC=CN=C1Br SPC-m969 [1,0,1,0,0,0|2,0,0]=4 42 B10R2.7 C1=CC2=C(C=CO2)N=C1 SPC-q050 [2,0,0,0,0,0|2,0,0]=4 43 B10R2.7 C1=CC2=C(N=N1)NC=C2 SPC-q549 [2,0,0,0,0,0|2,0,0]=4 44 B10R2.7 C1=CC2=CN=CN=C2N1 SPC-g620 [2,0,0,0,0,0|2,0,0]=4 45 B10R2.7 C1=CC2=NC=NC=C2N1 SPC-j493 [2,0,0,0,0,0|2,0,0]=4 46 B10R2.7 C1=CN=C2C=CNC2=C1 SPC-g455 [2,0,0,0,0,0|1,0,0]=3 47 B10R2.7 C1=CN=C2C=NNC2=C1 SPC-h214 [2,0,0,0,0,0|2,0,0]=4 48 B10R2.7 C1=CN=C2NC=CC2=C1 SPC-g154 [2,0,0,0,0,0|1,0,0]=3 49 B10R2.7 C1=CN=C2NC=CC2=N1 SPC-j158 [2,0,0,0,0,0|2,0,0]=4 50 B10R2.7 C1=CN=C2NCCC2=C1 SPC-g235 [2,0,0,0,0,0|1,0,1]=4 51 B10R2.7 C1=CN=C2NN=CC2=C1 SPC-g663 [2,0,0,0,0,0|2,0,0]=4 52 B12R2.1 N#CC1=CNC2=C1C=CC=N2 SPC-h732 [1,1,0,0,0,0|2,0,0]=4 53 B12R2.1 NCC1=CNC2=NC=CC=C12 SPC-j248 [1,1,0,0,0,0|2,0,0]=4 54 B12R2.132 BrC1=CC2=C(N=C1)NC=C2I SPC-j279 [1,1,0,0,0,0|2,0,0]=4 55 B12R2.132 BrC1=CNC2=NC=C(I)C=C12 SPC-j281 [1,1,0,0,0,0|2,0,0]=4 56 B12R2.132 CC1=CC2=C(N=C1)NC=C2Br SPC-q652 [1,1,0,0,0,0|2,0,0]=4 57 B12R2.132 CC1=CNC2=NC=C(Br)C=C12 SPC-j421 [1,1,0,0,0,0|2,0,0]=4 58 B12R2.132 CC1=CNC2=NC=C(Cl)C=C12 SPC-p688 [1,1,0,0,0,0|2,0,0]=4 59 B12R2.132 CC1=CNC2=NC=C(N)C=C12 SPC-k464 [1,1,0,0,0,0|2,0,0]=4 60 B12R2.132 CN1C=CC2=NC=C(Br)C=C21 SPC-t409 [1,1,0,0,0,0|2,0,0]=4 61 B12R2.132 ClC1=CC2=C(N=C1)NC=C2Br SPC-h337 [1,1,0,0,0,0|2,0,0]=4 62 B12R2.132 ClC1=CC2=C(N=C1)NC=C2I SPC-p685 [1,1,0,0,0,0|2,0,0]=4 63 B12R2.132 FC1=CC2=C(N=C1)NC=C2Br SPC-q627 [1,1,0,0,0,0|2,0,0]=4 64 B12R2.203 BrC1=C2C(I)=CNC2=NC=C1 SPC-n116 [1,1,0,0,0,0|2,0,0]=4 65 B12R2.203 CC1=CNC2=NC=CC(Br)=C12 SPC-h705 [1,1,0,0,0,0|2,0,0]=4 66 B12R2.203 CC1=CNC2=NC=CC(Cl)=C12 SPC-k466 [1,1,0,0,0,0|2,0,0]=4 67 B12R2.203 ClC1=C2C(Br)=CNC2=NC=C1 SPC-h742 [1,1,0,0,0,0|2,0,0]=4 68 B12R2.203 ClC1=C2C(I)=CNC2=NC=C1 SPC-g868 [1,1,0,0,0,0|2,0,0]=4 69 B12R2.203 ClC1=CNC2=NC=CC(Cl)=C12 SPC-u402 [1,1,0,0,0,0|2,0,0]=4 70 B12R2.203 FC1=C2C(I)=CNC2=NC=C1 SPC-s334 [1,1,0,0,0,0|2,0,0]=4 71 B12R2.203 FC1=CNC2=NC=CC(Br)=C12 SPC-p507 [1,1,0,0,0,0|2,0,0]=4 72 B12R2.203 FC1=CNC2=NC=CC(Cl)=C12 SPC-p536 [1,1,0,0,0,0|2,0,0]=4 73 B12R2.203 NC1=C2C(Br)=CNC2=NC=C1 SPC-p338 [1,1,0,0,0,0|2,0,0]=4 74 B12R2.203 NC1=CNC2=NC=CC(Cl)=C12 SPC-p528 [1,1,0,0,0,0|2,0,0]=4 75 B12R2.203 OC1=C2C(Br)=CNC2=NC=C1 SPC-u770 [1,1,0,0,0,0|2,0,0]=4 76 B12R2.612 CC1=CNC2=C1C=CC(Cl)=N2 SPC-k467 [1,1,0,0,0,0|2,0,0]=4 77 B12R2.612 CC1=NC2=C(C=C1)C(Br)=CN2 SPC-k512 [1,1,0,0,0,0|2,0,0]=4 78 B12R2.612 ClC1=NC2=C(C=C1)C(Br)=CN2 SPC-p350 [1,1,0,0,0,0|2,0,0]=4 79 B12R2.32 N#CC1=CC2=C(N=CC=C2)N1 SPC-s177 [1,1,0,0,0,0|2,0,0]=4 80 B12R2.32 NCC1=CC2=CC=CN=C2N1 SPC-j249 [1,1,0,0,0,0|2,0,0]=4 81 B12R2.32 O=CC1=CC2=C(N=CC=C2)N1 SPC-m926 [1,1,0,0,0,0|1,0,0]=3 82 B12R2.202 CC1=CC2=C(Br)C=CN=C2N1 SPC-p506 [1,1,0,0,0,0|2,0,0]=4 83 B12R2.202 ClC1=CC=NC2=C1C=C(I)N2 SPC-j475 [1,1,0,0,0,0|2,0,0]=4 84 B12R2.202 ClC1=CC=NC2=C1N=C(Br)N2 SPC-h027 [1,1,0,0,0,0|1,0,1]=4 85 B12R2.202 ClC1=CC=NC2=C1NC(I)=C2 SPC-t461 [1,1,0,0,0,0|2,0,0]=4 86 B12R2.202 O=C1CC2=C(Br)C=CN=C2N1 SPC-k505 [1,1,0,0,0,0|1,0,0]=3 87 B12R2.202 O=C1CC2=C(Cl)C=CN=C2N1 SPC-h243 [1,1,0,0,0,0|1,0,0]=3 88 B12R2.202 O=C1CC2=C(F)C=CN=C2N1 SPC-j614 [1,1,0,0,0,0|1,0,0]=3 89 B12R2.202 O=C1CC2=C(I)C=CC=C2N1 SPC-s335 [1,1,0,0,0,0|2,0,0]=4 90 B12R2.202 O=C1CC2=C(I)C=CN=C2N1 SPC-k507 [1,1,0,0,0,0|1,0,0]=3 91 B12R2.202 O=C1CC2=C(N=CN=C2Cl)N1 SPC-g969 [1,1,0,0,0,0|2,0,0]=4 92 B12R2.606 CC1=CC2=C(C=CC(Cl)=N2)N1 SPC-n211 [1,1,0,0,0,0|2,0,0]=4 93 B12R2.606 CC1=CC2=C(N=C1)NC(I)=C2 SPC-s243 [1,1,0,0,0,0|2,0,0]=4 94 B12R2.606 CC1=CC2=CC(Br)=CN=C2N1 SPC-m560 [1,1,0,0,0,0|2,0,0]=4 95 B12R2.606 CC1=CC2=CC(N)=CN=C2N1 SPC-h557 [1,1,0,0,0,0|2,0,0]=4 96 B12R2.606 ClC1=CC2=C(C=CC(Cl)=N2)N1 SPC-v434 [1,1,0,0,0,0|2,0,0]=4 97 B12R2.606 NC1=CC2=C(C=C1)CC(=O)N2 SPC-u070 [1,1,0,0,0,0|2,0,0]=4 98 B12R2.606 NC1=CC2=C(C=C1)NC(=O)C2 SPC-h316 [1,1,0,0,0,0|2,0,0]=4 99 B12R2.606 O=C1CC2=C(C=C(Br)C=C2)N1 SPC-g349 [1,1,0,0,0,0|2,0,0]=4 100 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)N1 SPC-p794 [1,1,0,0,0,0|2,0,0]=4 101 B12R2.606 O=C1CC2=C(C=CC(Br)=C2)N1 SPC-g276 [1,1,0,0,0,0|2,0,0]=4 102 B12R2.606 O=C1CC2=C(C=CC(Br)=N2)N1 SPC-h599 [1,1,0,0,0,0|1,0,0]=3 103 B12R2.606 O=C1CC2=C(C=CC(Cl)=N2)N1 SPC-n210 [1,1,0,0,0,0|1,0,0]=3 104 B12R2.606 O=C1CC2=C(N=C(Cl)C=C2)N1 SPC-j422 [1,1,0,0,0,0|1,0,0]=3 105 B12R2.606 O=C1CC2=C(N=C(Cl)N=C2)N1 SPC-j041 [1,1,0,0,0,0|2,0,0]=4 106 B12R2.606 O=C1CC2=C(N=C(Cl)N=C2)N1 SPC-m978 [1,1,0,0,0,0|2,0,0]=4 107 B12R2.606 O=C1CC2=CC(Br)=CN=C2N1 SPC-g751 [1,1,0,0,0,0|1,0,0]=3 108 B12R2.606 O=C1CC2=CC(Cl)=CN=C2N1 SPC-j377 [1,1,0,0,0,0|1,0,0]=3 109 B12R2.606 O=C1CC2=CC(F)=CN=C2N1 SPC-q533 [1,1,0,0,0,0|1,0,0]=3 110 B12R2.606 O=C1CC2=NC=C(Br)C=C2N1 SPC-j539 [1,1,0,0,0,0|1,0,0]=3 111 B12R2.606 O=C1CC2=NC=C(Cl)C=C2N1 SPC-m539 [1,1,0,0,0,0|1,0,0]=3 112 B14R2.639 CC1(C)OC2=CC=CN=C2NC1=O SPC-g798 [0,1,0,0,0,1|2,0,0]=4 113 B14R2.4507 O=C1NC2=NC=C(Br)C=C2C1(F)F SPC-t756 [0,2,0,0,0,0|2,0,0]=4 114 B12R2.24 O=C1C=CC2=CC=CN=C2N1 SPC-u549 [0,0,1,1,0,0|2,0,0]=4 115 B12R2.24 O=C1CCC2=CC=CN=C2N1 SPC-m477 [0,0,1,1,0,0|2,0,0]=4 116 B14R3.698 O=C1NC2=C(C=CC=N2)C13CC3 SPC-q252 [0,1,0,1,0,0|2,0,0]=4