0 B12R1.107 CN(CC(=O)O)C1=CC=CC=N1 4H58-1-396 [0,0,0,0,0,0|4,0,0]=4 1 B12R1.107 C\C(N)=C\C(=O)C1=CC=CC=C1 4636-1-Z8 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.107 O=[N+]([O-])CC(O)C1=CC=CC=C1 4654-1-V5 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.16 CC(CCN)C1=CC=CC=C1 3630-1-26 [1,0,0,0,0,0|2,0,1]=4 4 B11R1.16 CC(NC=O)C1=CN=CC=C1 4H48-1-3J [1,0,0,0,0,0|2,0,0]=3 5 B11R1.16 CC(NC=O)C1=NC=CC=C1 4H48-1-3H [1,0,0,0,0,0|2,0,0]=3 6 B11R1.91 NC(=O)CCC1=CC=CC=N1 4H48-1-VK [1,0,0,0,0,0|3,0,0]=4 7 B11R1.91 NC(=O)CCC1=CC=CN=C1 4H48-1-VL [1,0,0,0,0,0|3,0,0]=4 8 B11R1.91 NC(=O)CCC1=CC=NC=C1 4H48-1-VM [1,0,0,0,0,0|3,0,0]=4 9 B11R1.91 O=C(Cl)CCC1=CC=CN=C1 4H16-5-67 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.91 O=C(Cl)CNC1=CC=CC=C1 4631-5-00 [1,0,0,0,0,0|3,0,0]=4 11 B13R1.11 COC(=O)CC(O)C1=CC=CC=C1 2629-1-3Y [0,1,0,0,0,0|2,0,0]=3 12 B13R1.11 COC(=O)\C=C(/N)C1=CC=CC=C1 4636-1-07 [0,1,0,0,0,0|2,0,1]=4 13 B13R1.132 CC(=O)CC(=O)C1=CC=C(F)C=C1 2618-3-00 [0,1,0,0,0,0|2,0,1]=4 14 B13R1.147 CC(CC(=O)O)C1=CC=CC(O)=C1 2629-1-1T [0,1,0,0,0,0|2,0,0]=3 15 B13R1.201 CC(=O)CC(=O)C1=CC=CC=C1O 2620-1-68 [0,1,0,0,0,0|2,0,1]=4 16 B13R1.713 N#CC(CC(=O)O)C1=CC=CC=C1 4637-1-3K [0,1,0,0,0,0|2,0,1]=4 17 B13R2.3201 CC1(C)NC1(C)C2=CC=CC=C2 3631-1-00 [0,0,0,1,0,0|2,0,1]=4 18 B11R1.36 NC(C(=O)O)C1=CC=CC=N1 4H57-5-24 [0,0,0,0,1,0|3,0,0]=4 19 B11R1.36 O=C(Cl)C(O)C1=CC=CC=C1 2616-5-0C [0,0,0,0,1,0|2,0,0]=3 20 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 2602-1-R4 [2,0,0,0,0,0|1,0,1]=4 21 B10R1.15 C[C@@H](C=O)C1=CC=CC=C1 2615-1-R0 [2,0,0,0,0,0|0,0,0]=2 22 B10R1.15 C[C@H](C=O)C1=CC=CC=C1 2615-1-S0 [2,0,0,0,0,0|0,0,0]=2 23 B10R1.17 CCOCC1=CC=CC=C1 2607-1-1V [2,0,0,0,0,0|0,0,1]=3 24 B12R1.34 COC(=O)C(C)C1=CC=CC=C1 2623-1-3L [1,1,0,0,0,0|2,0,0]=4 25 B12R1.34 COC(=O)[C@H](C)C1=CC=CC=C1 2623-1-R0 [1,1,0,0,0,0|2,0,0]=4 26 B12R1.21 CC(=O)CCC1=CC=C(C)C=C1 2717-1-1A [1,1,0,0,0,0|1,0,0]=3 27 B12R1.21 CC(=O)NCC1=CC=C(Br)C=C1 4648-9-0A [1,1,0,0,0,0|1,0,0]=3 28 B12R1.21 CC(=O)NCC1=CC=C(Cl)C=C1 4648-5-2E [1,1,0,0,0,0|1,0,0]=3 29 B12R1.21 CC(=O)NCC1=CC=C(Cl)N=C1 4H48-5-H8 [1,1,0,0,0,0|2,0,0]=4 30 B12R1.21 CC(=O)NCC1=CC=C(O)C=C1 4648-1-4J [1,1,0,0,0,0|1,0,0]=3 31 B12R1.21 CC(=O)OCC1=CC=C(Cl)C=C1 2623-5-0N [1,1,0,0,0,0|0,0,0]=2 32 B12R1.21 O=C(O)CCC1=CC=C(S)C=C1 6661-1-0B [1,1,0,0,0,0|2,0,0]=4 33 B12R1.27 COC(=O)CCC1=CC=CC=N1 4H58-1-466 [1,1,0,0,0,0|2,0,0]=4 34 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 2607-1-S1 [1,1,0,0,0,0|0,0,2]=4 35 B12R1.27 NCC(=O)NCC1=CC=CC=C1 4648-1-6R [1,1,0,0,0,0|1,0,0]=3 36 B12R1.43 O=C(Cl)C(Br)CC1=CC=CC=C1 2616-D-05 [1,1,0,0,0,0|2,0,0]=4 37 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 2629-1-2Q [1,1,0,0,0,0|2,0,0]=4 38 B12R1.125 CC(=O)SCC1=CC=CC=C1F 6667-3-02 [1,1,0,0,0,0|0,1,0]=3 39 B12R1.125 CC1=CC=CC=C1CCC(=O)Cl 2716-5-0D [1,1,0,0,0,0|2,0,0]=4 40 B12R1.226 CC(=O)OCC1=CC(O)=CC=C1 2629-1-4A [1,1,0,0,0,0|0,0,0]=2 41 B12R1.226 CC(=O)SCC1=CC=CC(F)=C1 6667-3-01 [1,1,0,0,0,0|0,1,0]=3 42 B12R1.226 NC(=O)CCC1=CC=CC(Br)=C1 4648-9-59 [1,1,0,0,0,0|2,0,0]=4 43 B12R1.226 NC(=O)NCC1=CC(Cl)=CC=C1 4653-5-0D [1,1,0,0,0,0|2,0,0]=4 44 B12R1.20 O=C(O)[C@@H](O)C1=CC=C(Br)C=C1 2629-9-S0 [0,1,0,0,1,0|2,0,0]=4 45 B12R1.20 O=C(O)[C@@H](O)C1=CC=C(Cl)C=C1 2629-5-S4 [0,1,0,0,1,0|2,0,0]=4 46 B12R1.20 O=C(O)[C@H](O)C1=CC=C(Br)C=C1 2629-9-R0 [0,1,0,0,1,0|2,0,0]=4 47 B12R1.225 NC(C(=O)O)C1=CC=CC(Cl)=C1 4657-5-39 [0,1,0,0,1,0|2,0,0]=4 48 B12R1.253 C[C@@](N)(C(=O)O)C1=CC=CC=C1 4657-1-S3 [0,1,0,0,1,0|1,0,0]=3 49 B12R1.253 C[C@](N)(C(=O)O)C1=CC=CC=C1 4657-1-R3 [0,1,0,0,1,0|1,0,0]=3 50 B14R1.163 COC(=O)CN[C@@H](C)C1=CC=CC=C1 4658-1-S10 [0,1,0,0,0,1|1,0,0]=3 51 B14R1.163 COC(=O)CN[C@H](C)C1=CC=CC=C1 4658-1-R10 [0,1,0,0,0,1|1,0,0]=3 52 B14R1.743 COC(=O)CC(N)CC1=CC=CC=C1 4658-1-3V [0,1,0,0,0,1|2,0,0]=4 53 B14R1.10 COC(=O)CC(N)C1=CC=C(Br)C=C1 4658-9-1P [0,2,0,0,0,0|2,0,0]=4 54 B14R1.694 CC(C)(CC(=O)O)C1=CC=C(Br)C=C1 2621-9-43 [0,2,0,0,0,0|2,0,0]=4 55 B14R1.694 CC(C)(CC(=O)O)C1=CC=C(F)C=C1 2621-3-6D [0,2,0,0,0,0|2,0,0]=4 56 B14R1.1020 CCC(CC(=O)O)C1=CC=CC(O)=C1 2629-1-1U [0,2,0,0,0,0|2,0,0]=4 57 B14R1.5805 CC(C)(CC(=O)O)C1=CC=CC=C1Cl 2621-5-0E [0,2,0,0,0,0|2,0,0]=4 58 B14R1.6455 CC(=O)N[C@@H](C(=O)O)C1=CC=CC=C1 4658-1-R1C [0,2,0,0,0,0|1,0,1]=4 59 B12R2.2 C1=CC=C(C2CCCO2)C=C1 2H10-1-82 [1,0,0,1,0,0|0,0,1]=3 60 B12R2.2 C1=CC=C([C@@H]2CCNC2)C=C1 3H31-1-SG [1,0,0,1,0,0|2,0,0]=4 61 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 3H31-5-RF [1,0,0,1,0,0|1,0,1]=4 62 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 3H31-1-RF [1,0,0,1,0,0|2,0,0]=4 63 B12R2.24 O=C1CC2=C(C=NC=C2)CN1 4H48-1-0AW [1,0,0,1,0,0|2,0,0]=4 64 B12R2.24 O=C1NCC2=CC=CC=C2O1 4H56-1-06F [1,0,0,1,0,0|2,0,0]=4 65 B12R2.18 CC1C(=O)NC2=NC=CC=C21 4H48-1-TL [0,0,0,1,1,0|2,0,0]=4 66 B12R2.18 CN1C(=O)CC2=CC=CN=C21 4H48-1-TH [0,0,0,1,1,0|2,0,0]=4 67 B14R2.68 O=C1COC(C2=CC=CC=C2)CN1 4H48-1-WB [0,0,0,1,0,1|1,0,0]=3 68 B14R2.25733 CC(=O)C1=CN(C)C2=CC=CC=C12 4H58-1-527 [0,0,0,1,0,1|2,0,0]=4 69 B14R2.19 O=C1CCN(CC2=CC=CC=C2)N1 4H48-1-02T [0,0,0,1,0,1|2,0,0]=4 70 B14R2.21 O=C1CCOC(C2=CC=CC=C2)C1 2H17-1-1D [0,1,0,1,0,0|1,0,0]=3 71 B14R2.4402 CC(=O)C1CC1C2=CC=C(Cl)C=C2 2617-5-0L [0,1,0,1,0,0|1,0,0]=3 72 B14R2.4402 CC(=O)C1CC1C2=CC=C(F)C=C2 2617-3-0Q [0,1,0,1,0,0|1,0,0]=3 73 B14R2.4476 O=C(O)[C@@H]1CC1C2=CC=CC(Br)=C2 2621-9-R0 [0,1,0,1,0,0|2,0,0]=4 74 B14R2.4476 O=C(O)[C@@H]1C[C@@H]1C2=CC(Br)=CC=C2 2621-9-66 [0,1,0,1,0,0|2,0,0]=4 75 B14R2.2 CC(=O)OC1CCC2=C1C=CC=C2 2623-1-4V [0,1,0,1,0,0|0,0,0]=2 76 B14R2.2 CC(=O)OC1CCC2=C1N=CC=C2 4H23-1-KX [0,1,0,1,0,0|1,0,0]=3 77 B14R2.2 O=C(O)CC1CNC2=CC=CC=C21 4H58-1-012 [0,1,0,1,0,0|2,0,0]=4 78 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 2702-1-X0 [1,0,0,0,1,0|0,0,2]=4 79 B12R1.252 O=C(O)COCC1=CC=NC=C1 4H21-5-4S [1,0,0,0,0,1|2,0,0]=4