0 B12R2.18 CC1=C(Br)C2=C(C=NC=C2)N1 SPC-s286 [0,0,0,0,0,0|4,0,0]=4 1 B12R2.18 CC1=C(Br)C2=C(N=CC=C2)N1 SPC-j773 [0,0,0,0,0,0|4,0,0]=4 2 B12R2.18 CC1=C(I)C2=C(N=CC=C2)N1 SPC-k472 [0,0,0,0,0,0|4,0,0]=4 3 B12R2.18 CN1C(=O)CC2=C1C=NC=C2 SPC-v372 [0,0,0,0,0,0|3,0,0]=3 4 B12R2.18 CN1C(=O)CC2=C1N=CC=C2 SPC-k509 [0,0,0,0,0,0|3,0,0]=3 5 B12R2.18 C[C@@H]1C(=O)NC2=C1C=CC=N2 SPC-h517 [0,0,0,0,0,0|3,0,0]=3 6 B12R2.18 O=C1NC2=C(C=CC=N2)C1=O SPC-s172 [0,0,0,0,0,0|2,0,1]=3 7 B11R2.1 BrC1=CNC2=C1C=CC=N2 SPC-g361 [1,0,0,0,0,0|3,0,0]=4 8 B11R2.1 BrC1=NNC2=C1C=CC=C2 SPC-g767 [1,0,0,0,0,0|3,0,0]=4 9 B11R2.1 CC1=CNC2=C1C=CC=C2 SPC-g422 [1,0,0,0,0,0|2,0,0]=3 10 B11R2.1 CC1=CNC2=C1C=NC=C2 SPC-q661 [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|3,0,0]=4 12 B11R2.1 CC1=NNC2=C1C=CC=C2 SPC-m579 [1,0,0,0,0,0|3,0,0]=4 13 B11R2.1 CN1C=CC2=C1C=NC=C2 SPC-u713 [1,0,0,0,0,0|3,0,0]=4 14 B11R2.1 ClC1=CNC2=C1C=CC=C2 SPC-n094 [1,0,0,0,0,0|2,0,0]=3 15 B11R2.1 ClC1=CNC2=C1C=CC=N2 SPC-j246 [1,0,0,0,0,0|3,0,0]=4 16 B11R2.1 IC1=CNC2=C1C=CN=C2 SPC-k366 [1,0,0,0,0,0|3,0,0]=4 17 B11R2.1 IC1=CNC2=C1C=NC=C2 SPC-q666 [1,0,0,0,0,0|3,0,0]=4 18 B11R2.1 IC1=NNC2=C1C=CC=C2 SPC-g726 [1,0,0,0,0,0|3,0,0]=4 19 B11R2.1 ON1N=NC2=CC=CN=C21 SPC-s303 [1,0,0,0,0,0|2,0,1]=4 20 B11R2.10 BrC1=NC2=C(C=CN=C2)N1 SPC-u958 [1,0,0,0,0,0|2,0,1]=4 21 B11R2.10 BrC1=NC2=C(N=CC=C2)N1 SPC-t505 [1,0,0,0,0,0|2,0,1]=4 22 B11R2.10 CC1=CC2=C(C=CN=C2)N1 SPC-q573 [1,0,0,0,0,0|3,0,0]=4 23 B11R2.10 CC1=CC2=C(C=NC=C2)N1 SPC-s244 [1,0,0,0,0,0|3,0,0]=4 24 B11R2.10 CC1=CC2=CC=CN=C2N1 SPC-g795 [1,0,0,0,0,0|3,0,0]=4 25 B11R2.10 C[C@@H]1CC2=C(C=CC=C2)N1 SPC-q921 [1,0,0,0,0,0|2,0,1]=4 26 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 SPC-s041 [1,0,0,0,0,0|2,0,1]=4 27 B11R2.10 IC1=CC2=C(N=CC=C2)N1 SPC-m127 [1,0,0,0,0,0|3,0,0]=4 28 B11R2.10 O=C1CC2=C(C=CN=C2)N1 SPC-j040 [1,0,0,0,0,0|2,0,0]=3 29 B11R2.10 O=C1CC2=C(C=NC=C2)N1 SPC-j324 [1,0,0,0,0,0|2,0,0]=3 30 B11R2.10 O=C1CC2=C(N=CC=C2)N1 SPC-g779 [1,0,0,0,0,0|2,0,0]=3 31 B11R2.10 O=C1CC2=C(N=CC=C2)N1 SPC-j021 [1,0,0,0,0,0|2,0,0]=3 32 B11R2.10 O=C1CC2=C(N=CN=C2)N1 SPC-i211 [1,0,0,0,0,0|3,0,0]=4 33 B13R2.45 CN1C(C=O)=CC2=C1N=CC=C2 SPC-u008 [0,1,0,0,0,0|3,0,0]=4 34 B13R2.3028 CN1C(=O)CC2=C1C=C(N)C=C2 SPC-j070 [0,1,0,0,0,0|2,0,0]=3 35 B13R2.3028 O=C1NC2=C(C=C(I)C=C2)C1=O SPC-p708 [0,1,0,0,0,0|1,0,1]=3 36 B13R2.4825 C[C@@H]1C(=O)NC2=C(F)C=CC=C21 SPC-q924 [0,1,0,0,0,0|2,0,0]=3 37 B13R2.4856 C[C@@H]1C(=O)NC2=NC=CC(Cl)=C21 SPC-p471 [0,1,0,0,0,0|3,0,0]=4 38 B13R2.5190 CN1C(=O)CC2=C1C=CC(N)=C2 SPC-u462 [0,1,0,0,0,0|2,0,0]=3 39 B13R2.5190 O=C1NC2=C(C=CC(Br)=C2)C1=O SPC-s387 [0,1,0,0,0,0|1,0,1]=3 40 B13R2.32 OC1=C(Br)C=NC2=CC=CC=C21 SPC-s925 [0,0,0,0,0,1|2,0,1]=4 41 B13R2.32 OC1=C(I)C=NC2=CC=CC=C21 SPC-p396 [0,0,0,0,0,1|2,0,1]=4 42 B13R2.369 C[C@@H]1NC2=C(C=CC=C2)NC1=O SPC-k116 [0,0,0,0,0,1|2,0,0]=3 43 B13R2.369 O=C1NC2=C(C=CC=C2)N=C1Cl SPC-p357 [0,0,0,0,0,1|2,0,0]=3 44 B13R2.369 OC1=CC2=CC=CC=C2N=C1Cl SPC-u463 [0,0,0,0,0,1|2,0,1]=4 45 B10R1.61 NC1=C(C(=O)O)C=NC=C1 SPC-g169 [1,0,1,0,0,0|2,0,0]=4 46 B10R1.61 NC1=CC=CN=C1C(=O)O SPC-g425 [1,0,1,0,0,0|2,0,0]=4 47 B10R2.7 C1=CC2=C(C=C1)NN=C2 SPC-m915 [2,0,0,0,0,0|2,0,0]=4 48 B10R2.7 C1=CC2=C(C=CN2)C=N1 SPC-g447 [2,0,0,0,0,0|2,0,0]=4 49 B10R2.7 C1=CC2=C(C=N1)N=CN2 SPC-g840 [2,0,0,0,0,0|1,0,1]=4 50 B10R2.7 C1=CC2=C(C=N1)NC=C2 SPC-g648 [2,0,0,0,0,0|2,0,0]=4 51 B10R2.7 C1=CN=C2C=CNC2=C1 SPC-g455 [2,0,0,0,0,0|2,0,0]=4 52 B10R2.7 C1=CN=C2NC=CC2=C1 SPC-g154 [2,0,0,0,0,0|2,0,0]=4 53 B12R1.50 C=CC(=O)NC1=CC(N)=CC=C1 SPC-u409 [0,1,1,0,0,0|2,0,0]=4 54 B12R2.132 CC1=CNC2=C1C=C(Br)C=C2 SPC-h044 [1,1,0,0,0,0|2,0,0]=4 55 B12R2.132 CC1=CNC2=C1C=C(Cl)C=C2 SPC-m711 [1,1,0,0,0,0|2,0,0]=4 56 B12R2.132 CN1C=NC2=C1C=C(Br)C=C2 SPC-p763 [1,1,0,0,0,0|1,0,1]=4 57 B12R2.203 CC1=CNC2=C1C(N)=CC=C2 SPC-p401 [1,1,0,0,0,0|2,0,0]=4 58 B12R2.612 CC1=CNC2=C1C=CC(Br)=C2 SPC-p772 [1,1,0,0,0,0|2,0,0]=4 59 B12R2.612 CC1=CNC2=C1C=CC(N)=C2 SPC-p402 [1,1,0,0,0,0|2,0,0]=4 60 B12R2.612 CC1=CNC2=C1C=CC(O)=C2 SPC-t978 [1,1,0,0,0,0|2,0,0]=4 61 B12R2.612 CN1C=NC2=C1C=CC(Br)=C2 SPC-p643 [1,1,0,0,0,0|1,0,1]=4 62 B12R2.32 O=CC1=CC2=C(N=CC=C2)N1 SPC-m926 [1,1,0,0,0,0|2,0,0]=4 63 B12R2.202 CC1=CC2=C(Br)C=CC=C2N1 SPC-k529 [1,1,0,0,0,0|2,0,0]=4 64 B12R2.202 O=C1CC2=C(Br)C=CN=C2N1 SPC-k505 [1,1,0,0,0,0|2,0,0]=4 65 B12R2.202 O=C1CC2=C(Cl)C=CN=C2N1 SPC-h243 [1,1,0,0,0,0|2,0,0]=4 66 B12R2.202 O=C1CC2=C(F)C=CN=C2N1 SPC-j614 [1,1,0,0,0,0|2,0,0]=4 67 B12R2.202 O=C1CC2=C(I)C=CC=C2N1 SPC-s335 [1,1,0,0,0,0|1,0,0]=3 68 B12R2.202 O=C1CC2=C(I)C=CN=C2N1 SPC-k507 [1,1,0,0,0,0|2,0,0]=4 69 B12R2.202 O=C1CC2=C(N1)C(Cl)=NC=C2 SPC-n284 [1,1,0,0,0,0|2,0,0]=4 70 B12R2.202 O=C1CC2=CC=CC(Br)=C2C1 SPC-p502 [1,1,0,0,0,0|2,0,0]=4 71 B12R2.202 O=C1CC2=CN=CC(Br)=C2N1 SPC-p836 [1,1,0,0,0,0|2,0,0]=4 72 B12R2.606 CC1=CC2=C(C=C(I)C=C2)N1 SPC-k545 [1,1,0,0,0,0|2,0,0]=4 73 B12R2.606 CC1=CC2=C(C=C(N)C=C2)N1 SPC-p235 [1,1,0,0,0,0|2,0,0]=4 74 B12R2.606 NC1=CC2=C(C=C1)CC(=O)N2 SPC-u070 [1,1,0,0,0,0|1,0,0]=3 75 B12R2.606 NC1=CC2=C(C=C1)NC(=O)C2 SPC-h316 [1,1,0,0,0,0|1,0,0]=3 76 B12R2.606 O=C1CC2=C(C=C(Br)C=C2)N1 SPC-g349 [1,1,0,0,0,0|1,0,0]=3 77 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)N1 SPC-p794 [1,1,0,0,0,0|1,0,0]=3 78 B12R2.606 O=C1CC2=C(C=CC(Br)=C2)N1 SPC-g276 [1,1,0,0,0,0|1,0,0]=3 79 B12R2.606 O=C1CC2=C(C=CC(Br)=N2)N1 SPC-h599 [1,1,0,0,0,0|2,0,0]=4 80 B12R2.606 O=C1CC2=C(C=CC(Cl)=N2)N1 SPC-n210 [1,1,0,0,0,0|2,0,0]=4 81 B12R2.606 O=C1CC2=C(N=C(Cl)C=C2)N1 SPC-j422 [1,1,0,0,0,0|2,0,0]=4 82 B12R2.606 O=C1CC2=CC(Br)=CN=C2N1 SPC-g751 [1,1,0,0,0,0|2,0,0]=4 83 B12R2.606 O=C1CC2=CC(Br)=NC=C2N1 SPC-k176 [1,1,0,0,0,0|2,0,0]=4 84 B12R2.606 O=C1CC2=CC(Cl)=CN=C2N1 SPC-j377 [1,1,0,0,0,0|2,0,0]=4 85 B12R2.606 O=C1CC2=CC(Cl)=NC=C2N1 SPC-j406 [1,1,0,0,0,0|2,0,0]=4 86 B12R2.606 O=C1CC2=CC(F)=CN=C2N1 SPC-q533 [1,1,0,0,0,0|2,0,0]=4 87 B12R2.606 O=C1CC2=CN=C(Cl)C=C2N1 SPC-p787 [1,1,0,0,0,0|2,0,0]=4 88 B12R2.606 O=C1CC2=NC=C(Br)C=C2N1 SPC-j539 [1,1,0,0,0,0|2,0,0]=4 89 B12R2.606 O=C1CC2=NC=C(Cl)C=C2N1 SPC-m539 [1,1,0,0,0,0|2,0,0]=4 90 B14R2.29369 CN1C(=O)CCC2=C1C=CC(Br)=C2 SPC-t903 [0,1,0,0,0,1|2,0,0]=4 91 B14R2.450 CN1C(C(=O)O)=CC2=C1C=CC=C2 SPC-t535 [0,2,0,0,0,0|2,0,0]=4 92 B14R2.4507 CC1(C)C(=O)NC2=C1C=C(Br)C=C2 SPC-h564 [0,2,0,0,0,0|2,0,0]=4 93 B14R2.4646 CC1(C)C(=O)NC2=C1C=CC(Br)=C2 SPC-k061 [0,2,0,0,0,0|2,0,0]=4 94 B14R2.4646 O=C1NC2=C(C=CC(Br)=C2)C1(F)F SPC-s388 [0,2,0,0,0,0|2,0,0]=4 95 B14R2.7970 CC1(C)C(=O)NC2=C(F)C=CC=C21 SPC-u417 [0,2,0,0,0,0|2,0,0]=4 96 B14R2.8737 O=C1NC2=C(C=CC(Br)=C2F)C1=O SPC-n252 [0,2,0,0,0,0|1,0,1]=4 97 B12R2.24 O=C1C=C2C=CC=CC2=CN1 SPC-m478 [0,0,1,1,0,0|2,0,0]=4 98 B12R2.315 OCC1=C2NC=CC2=CC=C1 SPC-q919 [0,0,1,1,0,0|2,0,0]=4 99 B14R2.287 O=C1CCC(=O)C2=C(C=CC=C2)N1 SPC-q946 [0,0,0,0,0,2|1,0,1]=4