0 B8R1.18 CC1=NC(C)=C(Br)S1 08-4188 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.18 CC1=NN(C)C(Br)=C1 08-1653 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.18 CC1=NN(C)C=C1Br 08-4185 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.18 CC1=NN(C)C=C1N 08-10219 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.18 CC1=NN(C)C=C1N 08-4340 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.18 CN1N=C(N)C=C1Br 08-4224 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.18 C[C@@H]1NC(=O)OC1=O 19-1463 [0,0,0,0,0,0|3,0,0]=3 7 B7R1.2 CC1=CC(Cl)=NN1 08-6986 [1,0,0,0,0,0|3,0,0]=4 8 B7R1.2 CC1=CN=C(C)S1 08-5507 [1,0,0,0,0,0|1,1,1]=4 9 B7R1.2 CC1=CNC(C)=N1 CS-459 [1,0,0,0,0,0|2,0,1]=4 10 B7R1.2 CC1=CSC(N)=C1 08-4614 [1,0,0,0,0,0|3,0,0]=4 11 B7R1.2 CC1=NSC(I)=C1 08-3999 [1,0,0,0,0,0|3,0,0]=4 12 B7R1.2 CN1C=CC(Br)=N1 08-3471 [1,0,0,0,0,0|3,0,0]=4 13 B7R1.2 CN1C=CC(N)=N1 08-1467 [1,0,0,0,0,0|3,0,0]=4 14 B7R1.2 CN1CCC(=O)C1 08-3269 [1,0,0,0,0,0|2,0,1]=4 15 B7R1.2 NC1=NC(=O)CS1 08-889 [1,0,0,0,0,0|2,1,0]=4 16 B7R1.2 O=C1C=C(Br)CO1 08-1670 [1,0,0,0,0,0|2,0,0]=3 17 B7R1.2 O=C1CCC(=O)N1 BIO-450 [1,0,0,0,0,0|3,0,0]=4 18 B7R1.4 CN1N=CC=C1N 08-10256 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.22 CC1=NC(CO)=C(C)O1 08-4347 [0,1,0,0,0,0|1,0,2]=4 20 B9R1.22 CC1=NN(C)C(CCl)=C1 08-1904 [0,1,0,0,0,0|3,0,0]=4 21 B9R1.22 CC1=NN(C)C(CN)=C1 08-3602 [0,1,0,0,0,0|3,0,0]=4 22 B9R1.22 CC1=NN(C)C=C1C=O 08-4349 [0,1,0,0,0,0|2,0,1]=4 23 B9R1.22 CC[C@@H]1NC(=O)OC1=O 19-1472 [0,1,0,0,0,0|3,0,0]=4 24 B9R1.22 O=C1NC(=O)[C@H](CO)N1 04-1804 [0,1,0,0,0,0|3,0,0]=4 25 B9R1.37 CC1=NN(C)C(C)=C1Br 19-822 [0,1,0,0,0,0|3,0,0]=4 26 B7R0.5 CCC[C@H](C)C(=O)O CS-800 [0,0,1,0,0,0|2,0,1]=4 27 B7R0.5 CCOC(=O)[C@H](C)F 26-799 [0,0,1,0,0,0|2,0,1]=4 28 B7R0.5 CCOC(=O)[C@H](C)N 04-132 [0,0,1,0,0,0|2,0,1]=4 29 B7R0.5 C[C@H](NC=O)C(=O)O 04-1420 [0,0,1,0,0,0|3,0,0]=4 30 B9R2.39 O=C1CC2CCC1C2 025054 [0,0,0,1,0,0|1,0,2]=4 31 B7R1.15 O=C1C=C(O)C1=O BIO-872 [0,0,0,0,1,0|2,0,1]=4 32 B9R1.34 CC1=CC(=O)NC(O)=C1 08-5280 [0,0,0,0,0,1|2,0,1]=4 33 B9R1.34 CC1=CC(Br)=CC(C)=N1 08-3597 [0,0,0,0,0,1|2,0,1]=4 34 B9R1.34 CC1=CC(C)=CC(F)=C1 09-1375 [0,0,0,0,0,1|2,0,1]=4 35 B9R1.34 CC1=CC(C)=NC(C)=C1 08-6506 [0,0,0,0,0,1|2,0,1]=4 36 B9R1.34 CC1=CC(C)=NC(C)=C1 19-2176 [0,0,0,0,0,1|2,0,1]=4 37 B9R1.34 CC1=CC(Cl)=NC(C)=C1 08-8258 [0,0,0,0,0,1|2,0,1]=4 38 B9R1.34 CC1=CC(N)=CC(C)=N1 08-2103 [0,0,0,0,0,1|2,0,1]=4 39 B9R1.34 CC1CC(=O)CC(=O)C1 08-10129 [0,0,0,0,0,1|2,0,1]=4 40 B9R1.69 CC1=CC(C)=C(O)C=C1 026219S [0,0,0,0,0,1|1,0,2]=4 41 B9R1.69 CC1=CN=C(Br)C(C)=C1 08-4187 [0,0,0,0,0,1|2,0,1]=4 42 B9R1.69 CC1=NC(C)=C(Br)C=C1 08-10157 [0,0,0,0,0,1|2,0,1]=4 43 B9R1.69 CN1C=C(Br)C=CC1=O 08-6446 [0,0,0,0,0,1|3,0,0]=4 44 B9R1.69 CN1C=C(N)C=CC1=O 08-4572 [0,0,0,0,0,1|3,0,0]=4 45 B9R1.69 CN1C=C(N)C=CC1=O 22-1875 [0,0,0,0,0,1|3,0,0]=4 46 B9R1.69 CN1C=CC(N)=CC1=O 08-5537 [0,0,0,0,0,1|3,0,0]=4 47 B6R0.1 CCNC(=O)CO 08-10467 [1,0,1,0,0,0|1,0,1]=4 48 B6R0.1 COC(=O)\C=C/Br 08-1758 [1,0,1,0,0,0|2,0,0]=4 49 B6R0.1 COC(=O)\C=C/I 08-3227 [1,0,1,0,0,0|2,0,0]=4 50 B6R0.3 CN[C@@H](C)C(=O)O 04-2116 [1,0,1,0,0,0|2,0,0]=4 51 B6R0.3 COC(=O)[C@H](C)N 024047 [1,0,1,0,0,0|2,0,0]=4 52 B6R0.3 COC(=O)[C@H](C)N 04-140 [1,0,1,0,0,0|2,0,0]=4 53 B6R0.3 C\C=C(/C)C(=O)O 020772 [1,0,1,0,0,0|1,0,1]=4 54 B6R0.3 C\C=C(\C)C(=O)O 06-231 [1,0,1,0,0,0|1,0,1]=4 55 B6R1.2 BrC1=NOC=C1 08-1711 [2,0,0,0,0,0|2,0,0]=4 56 B6R1.2 NC1=NOC=C1 08-5339 [2,0,0,0,0,0|2,0,0]=4 57 B6R1.2 O=C1C=CCO1 08-3977 [2,0,0,0,0,0|1,0,0]=3 58 B6R1.2 O=C1C=CSN1 08-6056 [2,0,0,0,0,0|1,1,0]=4 59 B6R1.2 O=C1CCOC1 08-5730 [2,0,0,0,0,0|0,0,2]=4 60 B8R0.19 COC(=O)\C=C(/C)OC 08-3238 [0,1,1,0,0,0|1,0,0]=3 61 B8R0.23 CC(=O)N[C@@H](C)C(=O)O 04-015 [0,1,1,0,0,0|2,0,0]=4 62 B8R0.23 CC(=O)N[C@@H](C)C(=O)O 04-016 [0,1,1,0,0,0|2,0,0]=4 63 B8R0.23 CC(=O)N[C@@H](C)C(=O)O BIO-475 [0,1,1,0,0,0|2,0,0]=4 64 B8R0.23 CC(=O)N[C@@H](C)C(N)=O 04-017 [0,1,1,0,0,0|2,0,0]=4 65 B8R1.1 CC1=CC(CBr)=NO1 08-3470 [1,1,0,0,0,0|2,0,0]=4 66 B8R1.1 CC1=NC(C=O)=CO1 08-2415 [1,1,0,0,0,0|1,0,1]=4 67 B8R1.1 CN1C=CC(CCl)=N1 08-4280 [1,1,0,0,0,0|2,0,0]=4 68 B8R1.1 CN1C=CC(CN)=N1 08-8105 [1,1,0,0,0,0|2,0,0]=4 69 B8R1.1 CN1C=CC(CO)=N1 08-3720 [1,1,0,0,0,0|2,0,0]=4 70 B8R1.1 ClCC1=CC(Br)=NO1 08-924 [1,1,0,0,0,0|2,0,0]=4 71 B8R1.1 OCC1=CC(Br)=NO1 08-943 [1,1,0,0,0,0|2,0,0]=4 72 B8R1.50 CC1=C(C)C(N)=NO1 08-5150 [1,1,0,0,0,0|2,0,0]=4 73 B8R1.50 CC1=NOC(C)=C1Br 08-6693 [1,1,0,0,0,0|2,0,0]=4 74 B8R1.50 CC1=NOC(C)=C1I 08-265 [1,1,0,0,0,0|2,0,0]=4 75 B8R1.50 O=C1OCC(Br)=C1Br 08-1053 [1,1,0,0,0,0|2,0,0]=4 76 B8R1.11 CN1N=CC=C1C=O 08-786 [1,1,0,0,0,0|2,0,0]=4 77 B10R1.8 CC1=CC(C=O)=CC(C)=N1 08-8357 [0,1,0,0,0,1|1,0,1]=4 78 B10R1.25 CC1=CC(C)=C(C=O)C=C1 026405 [0,1,0,0,0,1|1,0,1]=4 79 B10R1.25 CC1=NC(C)=C(C=O)C=C1 08-3599 [0,1,0,0,0,1|1,0,1]=4 80 B10R1.176 CN1C=C(CO)C=CC1=O 08-7442 [0,1,0,0,0,1|2,0,0]=4 81 B10R1.176 O=C1C=C(CO)OC=C1O 026553 [0,1,0,0,0,1|1,0,1]=4 82 B10R1.59 CC(=O)C1=CC(C)=NN1C 08-2098 [0,2,0,0,0,0|2,0,0]=4 83 B8R1.4 NC1=CC(=O)CCC1 08-9979 [0,0,1,1,0,0|1,0,0]=3 84 B10R2.178 O=C1NCC2CCC1O2 08-5759 [0,0,0,1,0,1|0,0,2]=4 85 B8R0.9 CCC(=O)NCC(=O)O 41-0303 [0,0,1,0,0,1|1,0,1]=4 86 B8R1.3 CC1=NNC(=O)C=C1 08-5381 [1,0,0,0,0,1|2,0,0]=4