0 B14R2.11645 COC1=C2N=C(N)N(C)C2=CC=C1 AC5917 [0,0,0,0,0,0|2,0,1]=3 1 B13R2.573 COC1=C2C=CN(C)C2=CC=C1 S12063 [1,0,0,0,0,0|2,0,0]=3 2 B13R2.573 COC1=C2CC[C@H](O)C2=CC=C1 N12758 [1,0,0,0,0,0|2,0,1]=4 3 B13R2.573 COC1=CC=CC2=C1NNC2=O 32311 [1,0,0,0,0,0|2,0,1]=4 4 B13R2.581 C=CC1=CC=CC2=C1NC(=O)C2 98459 [1,0,0,0,0,0|2,0,1]=4 5 B13R2.581 COC1=C2N=C(N)NC2=CC=C1 AC7968 [1,0,0,0,0,0|1,0,1]=3 6 B13R2.581 COC1=CC=CC2=C1SC(Cl)=N2 C11224 [1,0,0,0,0,0|2,0,1]=4 7 B13R2.581 COC1=CC=NC2=C1CC(=O)N2 D96676 [1,0,0,0,0,0|2,0,0]=3 8 B13R2.581 COC1=NC=CC2=C1C=C(C)N2 I10754 [1,0,0,0,0,0|3,0,0]=4 9 B13R2.581 N#CC1=CC=CC2=C1NC(=O)C2 95293 [1,0,0,0,0,0|3,0,0]=4 10 B13R2.581 O=C1CC2=C(N1)C(CO)=CC=C2 95296 [1,0,0,0,0,0|3,0,0]=4 11 B13R2.581 O=CC1=CC=CC2=C1NC(=O)C2 98460 [1,0,0,0,0,0|3,0,0]=4 12 B15R2.22624 CCC1=C2NC(=O)C(=O)C2=CC(Br)=C1 O11383 [0,1,0,0,0,0|2,0,1]=4 13 B13R1.91 CCC(=O)CC1=C(OC)C=CC=C1 N14171 [0,0,1,0,0,0|3,0,0]=4 14 B13R1.91 COC1=C(NC(=O)CN)C=CC=C1 F21120 [0,0,1,0,0,0|2,0,0]=3 15 B13R1.642 COC1=CC=CC([C@@H](F)C(=O)O)=C1 98552 [0,0,1,0,0,0|3,0,0]=4 16 B13R1.642 COC1=CC=CC([C@@H](N)C(C)=O)=C1 N15595 [0,0,1,0,0,0|3,0,0]=4 17 B15R2.20937 COC1=CC=CC2=C1NC(C)=NC2=O N11858 [0,0,0,0,0,1|2,0,1]=4 18 B12R1.435 COC1=CC([C@@H](O)CN)=CC=C1 C78115 [1,0,1,0,0,0|1,0,1]=4 19 B12R1.75 COC1=C(CC(=O)Cl)C=CC=C1 F11411 [1,0,1,0,0,0|2,0,0]=4 20 B12R1.75 COC1=C(NC(C)=S)C=CC=C1 81285 [1,0,1,0,0,0|1,1,0]=4 21 B12R1.225 O=C(O)[C@H](O)C1=CC(O)=CC=C1 A12143 [1,0,1,0,0,0|2,0,0]=4 22 B12R1.438 COC1=CC(CC(=N)N)=CC=C1 F13308 [1,0,1,0,0,0|2,0,0]=4 23 B12R1.438 COC1=CC=CC(NC(C)=S)=C1 81291 [1,0,1,0,0,0|1,1,0]=4 24 B12R2.196 CC1=CC=CC2=C1NN=C2O F18597 [2,0,0,0,0,0|2,0,0]=4 25 B12R2.315 CCC1=CC=CC2=C1C=CN2 F18194 [2,0,0,0,0,0|2,0,0]=4 26 B12R2.315 COC1=C2NN=CC2=CC=C1 D78821 [2,0,0,0,0,0|2,0,0]=4 27 B12R2.315 COC1=CC=CC2=C1N=CS2 76145 [2,0,0,0,0,0|1,0,1]=4 28 B12R2.315 CSC1=C2NC=CC2=CC=C1 89387 [2,0,0,0,0,0|1,1,0]=4 29 B12R2.202 CC1=CC2=C(C=CC=C2C)N1 C14038 [2,0,0,0,0,0|2,0,0]=4 30 B12R2.202 CC1=CC=CC2=C1NC(=O)O2 AC6817 [2,0,0,0,0,0|1,0,0]=3 31 B12R2.202 NC1=CC=CC2=C1NC(=O)O2 C16414 [2,0,0,0,0,0|2,0,0]=4 32 B12R2.202 O=C1CC2=CC=CC(I)=C2N1 D76870 [2,0,0,0,0,0|2,0,0]=4 33 B12R2.202 O=C1NC2=C(Br)C=CC=C2O1 C92124 [2,0,0,0,0,0|2,0,0]=4 34 B12R2.202 O=C1NC2=CC=CC(Br)=C2N1 AT12815 [2,0,0,0,0,0|1,0,0]=3 35 B12R2.202 O=C1NC2=CC=CC(Cl)=C2O1 AC6894 [2,0,0,0,0,0|2,0,0]=4 36 B12R2.202 O=C1NC2=CN=CC(Br)=C2N1 C14994 [2,0,0,0,0,0|2,0,0]=4 37 B12R2.18 CN1C(=O)NC2=C1C=CC=N2 D72038 [2,0,0,0,0,0|2,0,0]=4 38 B12R2.18 CN1C(=O)NC2=C1C=NC=C2 D72037 [2,0,0,0,0,0|2,0,0]=4 39 B14R1.3135 COC1=C(CC(=O)C(=O)O)C=CC=C1 C91207 [0,1,1,0,0,0|2,0,0]=4 40 B14R1.3135 COC1=C(NC(=O)C(=O)O)C=CC=C1 AT24760 [0,1,1,0,0,0|1,0,0]=3 41 B14R2.1072 COC1=C2NC=C(C#N)C2=CC=C1 92841 [1,1,0,0,0,0|2,0,0]=4 42 B14R2.1938 COC1=C2NC=C(C)C2=CC(Cl)=C1 C92590 [1,1,0,0,0,0|2,0,0]=4 43 B14R2.1938 COC1=C2NC=C(C)C2=CC(I)=C1 C92591 [1,1,0,0,0,0|2,0,0]=4 44 B14R2.712 O=C1NC2=C(N1)C(C(=O)O)=CC=C2 36523 [1,1,0,0,0,0|2,0,0]=4 45 B14R2.1726 COC1=C2CC(=O)NC2=C(Br)C=C1 94241 [1,1,0,0,0,0|1,0,0]=3 46 B14R2.1726 COC1=C2CC(=O)NC2=C(Cl)C=C1 94244 [1,1,0,0,0,0|1,0,0]=3 47 B14R2.4220 O=C1NC2=C(Br)C=CC=C2\C1=N\O F12270 [1,1,0,0,0,0|2,0,0]=4 48 B14R2.8620 CC1=CC=C(C)C2=C1NC(=O)C2=O I10166 [1,1,0,0,0,0|1,0,1]=4 49 B14R2.8737 CC1=C(Br)C=CC2=C1NC(=O)C2=O AC8864 [1,1,0,0,0,0|1,0,1]=4 50 B14R2.8737 CC1=C(F)C=CC2=C1NC(=O)C2=O AT19799 [1,1,0,0,0,0|1,0,1]=4 51 B14R2.9184 CC1=C2NC(=O)C(=O)C2=CC(F)=C1 AT19798 [1,1,0,0,0,0|1,0,1]=4 52 B14R2.11684 COC1=CC=CC2=C1NC(=O)OC2 AC4764 [0,0,1,1,0,0|2,0,0]=4 53 B14R2.3274 COC1=CC2=C(C=C1)N=C(N)N2C AC7414 [0,0,1,1,0,0|2,0,0]=4 54 B12R1.77 COC1=C(C(=O)CN)C=CC=C1 C74781 [0,0,1,0,1,0|2,0,0]=4 55 B12R1.77 COC1=C(C(=O)CO)C=CC=C1 AC5663 [0,0,1,0,1,0|1,0,0]=3 56 B14R2.8045 CC1=CC=CC2=C1NC(=O)NC2=O F14754 [1,0,0,0,0,1|1,0,1]=4 57 B14R2.8045 O=C1C=C(O)C2=CC=CC(Br)=C2N1 D73420 [1,0,0,0,0,1|2,0,0]=4 58 B14R2.28472 O=C1NC2=C(Br)C=CC=C2C=C1O 87959 [1,0,0,0,0,1|2,0,0]=4