0 B11R1.91 CC(=O)CCC1=CC=CC=C1 SPC-k266 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.91 O=C(O)CCC1=CN=NC=C1 SPC-t412 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.91 O=C(O)CCC1=NN=CC=C1 SPC-v656 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.91 O=C(O)\C=C\C1=NC=CC=N1 SPC-u834 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.17 OCCCC1=NC=CC=C1 SPC-g488 [1,0,0,0,0,0|2,0,1]=4 5 B12R1.43 O=[N+]([O-])[C@@H](F)CC1=CC=CC=C1 SPC-d111 [0,1,0,0,0,0|2,0,1]=4 6 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 SPC-s949 [0,0,0,1,0,0|2,0,0]=3 7 B12R2.22 OC1CN(C2=CC=CC=C2)C1 SPC-h977 [0,0,0,1,0,0|2,0,1]=4 8 B12R2.24 O=C1C=C2C=CC=CC2=CN1 SPC-m478 [0,0,0,1,0,0|3,0,0]=4 9 B12R2.24 O=C1CCC2=C(C=CN=C2)N1 SPC-n926 [0,0,0,1,0,0|3,0,0]=4 10 B12R2.24 O=C1CCC2=CC=CN=C2N1 SPC-m477 [0,0,0,1,0,0|3,0,0]=4 11 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 SPC-s066 [0,0,0,1,0,0|2,0,1]=4 12 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 SPC-s103 [0,0,0,1,0,0|2,0,1]=4 13 B12R2.24 O[C@H]1CNC2=C(C=CC=C2)C1 SPC-s053 [0,0,0,1,0,0|2,0,1]=4 14 B10R1.18 O=C(O)CC1=CN=NC=C1 SPC-j090 [0,0,0,0,1,0|2,0,0]=3 15 B10R1.18 O=C([O-])CC1=NC=CC=N1 SPC-j099 [0,0,0,0,1,0|2,0,1]=4 16 B10R1.66 O=C(O)\C=C\C1=CC=CS1 SPC-k420 [0,0,0,0,1,0|2,0,1]=4 17 B11R1.1 N#CCOC1=CC=C(Cl)C=C1 SPC-m936 [1,1,0,0,0,0|1,0,1]=4 18 B11R1.20 O=C(O)CC1=NC=C(Br)C=C1 SPC-j674 [0,1,0,0,1,0|1,0,0]=3 19 B11R1.20 O=C(O)CC1=NC=C(Cl)C=N1 SPC-r243 [0,1,0,0,1,0|2,0,0]=4 20 B11R1.20 O=C(O)CC1=NC=C(F)C=C1 SPC-m376 [0,1,0,0,1,0|1,0,0]=3 21 B11R1.86 CC(=O)OC1=CC=CN=C1Br SPC-m968 [0,1,0,0,1,0|2,0,0]=4 22 B11R1.86 O=C(O)CC1=C(Br)C=CC=N1 SPC-k819 [0,1,0,0,1,0|1,0,0]=3 23 B11R1.86 O=C(O)CC1=CC=CN=C1Cl SPC-h555 [0,1,0,0,1,0|1,0,0]=3 24 B11R1.86 O=C(O)CC1=NC=CC=C1O SPC-t979 [0,1,0,0,1,0|1,0,0]=3 25 B11R1.86 O=C(O)CC1=NC=CN=C1Cl SPC-m049 [0,1,0,0,1,0|2,0,0]=4 26 B11R1.157 CC1=CC(CC(=O)O)=CN=C1 SPC-r232 [0,1,0,0,1,0|1,0,0]=3 27 B11R1.157 O=C(O)CC1=CC(F)=CN=C1 SPC-m551 [0,1,0,0,1,0|1,0,0]=3 28 B11R1.157 O=C(O)CC1=CC=CC(F)=N1 SPC-m615 [0,1,0,0,1,0|1,0,0]=3 29 B13R1.718 OC[C@@H](O)COCC1=CC=CC=C1 SPC-t909 [0,1,0,0,0,1|0,0,2]=4 30 B13R1.718 OC[C@H](O)COCC1=CC=CC=C1 SPC-t910 [0,1,0,0,0,1|0,0,2]=4 31 B11R2.1 O=C1CCC2=C1C=CC=N2 SPC-n233 [1,0,0,1,0,0|2,0,0]=4 32 B11R2.1 O=C1CCC2=C1C=CN=C2 SPC-q607 [1,0,0,1,0,0|2,0,0]=4 33 B11R2.1 O=C1NCC2=C1C=CC=C2 SPC-m482 [1,0,0,1,0,0|2,0,0]=4 34 B11R2.10 O=C1CC2=C(C=CN=C2)N1 SPC-j040 [0,0,0,1,1,0|2,0,0]=4 35 B11R2.10 O=C1CC2=C(C=NC=C2)N1 SPC-j324 [0,0,0,1,1,0|2,0,0]=4 36 B11R2.10 O=C1CC2=C(N=CC=C2)N1 SPC-g779 [0,0,0,1,1,0|2,0,0]=4 37 B11R2.10 O=C1CC2=C(N=CC=C2)N1 SPC-j021 [0,0,0,1,1,0|2,0,0]=4 38 B13R2.10 O=C1CC[C@@H](C2=CC=CC=C2)N1 SPC-t954 [0,0,0,1,0,1|2,0,0]=4 39 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CS1 SPC-p599 [0,0,0,1,0,1|2,0,0]=4 40 B13R2.72 O=C(O)C1=CNC2=C1C=CC=C2 SPC-t671 [0,0,0,1,0,1|1,0,1]=4 41 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 SPC-s881 [0,0,0,1,0,1|1,0,0]=3 42 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 SPC-k405 [0,0,0,1,0,1|1,0,0]=3 43 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 SPC-s009 [0,0,0,1,0,1|1,0,0]=3 44 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 SPC-n632 [0,0,0,1,0,1|1,0,0]=3 45 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 SPC-s016 [0,0,0,1,0,1|1,0,0]=3 46 B13R2.423 O=C(O)[C@H]1C[C@H]1C2=CC=CC=C2 SPC-s013 [0,0,0,1,0,1|1,0,0]=3 47 B13R2.155 O=C1COC2=C(N=C(Br)C=C2)N1 SPC-u437 [0,1,0,1,0,0|2,0,0]=4 48 B13R2.369 C[C@@H]1NC2=C(C=CC=C2)NC1=O SPC-k116 [0,1,0,1,0,0|2,0,0]=4 49 B13R2.435 O=C(O)[C@@H]1CC2=C(C=CC=C2)N1 SPC-s040 [0,1,0,1,0,0|1,0,0]=3 50 B13R2.435 O=C(O)[C@@H]1CC2=C(N=CC=C2)N1 SPC-u264 [0,1,0,1,0,0|2,0,0]=4 51 B13R2.435 O=C(O)[C@H]1CC2=C(C=CC=C2)N1 SPC-k442 [0,1,0,1,0,0|1,0,0]=3 52 B9R1.6 C[C@H](O)C1=CC=CC=C1 SPC-s644 [0,0,0,0,2,0|1,0,1]=4 53 B9R1.6 O=C(O)C1=CN=CN=C1 SPC-g357 [0,0,0,0,2,0|2,0,0]=4 54 B9R1.6 O=C(O)C1=CN=NC=C1 SPC-n492 [0,0,0,0,2,0|2,0,0]=4 55 B9R1.6 O=C(O)C1=NC=CC=N1 SPC-g298 [0,0,0,0,2,0|2,0,0]=4 56 B9R1.6 O=C(O)C1=NC=CN=C1 SPC-g023 [0,0,0,0,2,0|2,0,0]=4 57 B9R1.6 O=C(O)C1=NC=NC=C1 SPC-g351 [0,0,0,0,2,0|2,0,0]=4 58 B9R1.6 O=C(O)C1=NN=CC=C1 SPC-g662 [0,0,0,0,2,0|2,0,0]=4 59 B9R1.13 O=C(O)CC1=CC=NN1 SPC-v144 [0,0,0,0,2,0|2,0,0]=4