0 B8R1.18 CC1=CC(=O)C[C@@H]1C C74561 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.18 CN1CC(=O)OC1=O Y11634 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.18 CN1C[C@@H](N)CC1=O P10878 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.18 CN1NC(=O)C=C1N P19144 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.18 C[C@@H]1NC(=O)C[C@@H]1O C90245 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.18 N[C@H]1CC(=O)OC1=O 51906 [0,0,0,0,0,0|2,0,0]=2 6 B8R1.18 N[C@H]1CC(=O)OC1=O 51907 [0,0,0,0,0,0|2,0,0]=2 7 B8R1.18 O=C1NC(=O)[C@H](Br)S1 W10365 [0,0,0,0,0,0|3,0,0]=3 8 B7R1.2 C=C1CCC(=O)O1 T71516 [1,0,0,0,0,0|3,0,0]=4 9 B7R1.2 CC1=CC(=O)CO1 Y10351 [1,0,0,0,0,0|3,0,0]=4 10 B7R1.2 CC1=CNC(=O)N1 O11257 [1,0,0,0,0,0|1,0,1]=3 11 B7R1.2 CC1=CNC(=O)S1 C90545 [1,0,0,0,0,0|2,0,1]=4 12 B7R1.2 CC1=NC(=O)NN1 79696 [1,0,0,0,0,0|2,0,1]=4 13 B7R1.2 CN1CCC(=O)C1 64220 [1,0,0,0,0,0|2,0,1]=4 14 B7R1.2 C[C@@H]1CNC(=O)C1 P17327 [1,0,0,0,0,0|2,0,1]=4 15 B7R1.2 C[C@H]1CCC(=O)N1 P20894 [1,0,0,0,0,0|2,0,1]=4 16 B7R1.2 C[C@H]1CCC(=O)N1 P20895 [1,0,0,0,0,0|2,0,1]=4 17 B7R1.2 C[C@H]1CNC(=O)O1 90054 [1,0,0,0,0,0|2,0,1]=4 18 B7R1.2 C[C@H]1COC(=O)N1 O10180 [1,0,0,0,0,0|2,0,1]=4 19 B7R1.2 C[C@H]1COC(=O)N1 W17357 [1,0,0,0,0,0|2,0,1]=4 20 B7R1.2 NC1=CC(=O)CC1 90005 [1,0,0,0,0,0|3,0,0]=4 21 B7R1.2 NC1=CC(=O)NO1 D73552 [1,0,0,0,0,0|2,0,1]=4 22 B7R1.2 NC1=NC(=O)CO1 C73385 [1,0,0,0,0,0|2,0,1]=4 23 B7R1.2 N[C@@H]1CNC(=O)C1 N10626 [1,0,0,0,0,0|1,0,1]=3 24 B7R1.2 N[C@@H]1CNC(=O)C1 P12720 [1,0,0,0,0,0|1,0,1]=3 25 B7R1.2 N[C@@H]1COC(=O)C1 FD1175 [1,0,0,0,0,0|2,0,1]=4 26 B7R1.2 N[C@@H]1COC(=O)C1 W11179 [1,0,0,0,0,0|2,0,1]=4 27 B7R1.2 O=C1C=C(Br)CC1 W19329 [1,0,0,0,0,0|3,0,0]=4 28 B7R1.2 O=C1C=C(Br)CO1 W10959 [1,0,0,0,0,0|3,0,0]=4 29 B7R1.2 O=C1C=C(I)CC1 A12694 [1,0,0,0,0,0|3,0,0]=4 30 B7R1.2 O=C1C=C(O)CO1 F21287 [1,0,0,0,0,0|2,0,1]=4 31 B7R1.2 O=C1CC(=O)NN1 A12550 [1,0,0,0,0,0|2,0,0]=3 32 B7R1.2 O=C1CNC(=O)C1 76756 [1,0,0,0,0,0|1,0,0]=2 33 B7R1.2 O=C1COC(=O)N1 F20602 [1,0,0,0,0,0|1,0,0]=2 34 B7R1.4 CC1=C(N)N=CN1 31730 [1,0,0,0,0,0|3,0,0]=4 35 B7R1.4 CN1C=CNC1=O F12570 [1,0,0,0,0,0|1,0,1]=3 36 B7R1.4 CN1CCNC1=O 81682 [1,0,0,0,0,0|1,0,1]=3 37 B7R1.4 NN1CCOC1=O S10190 [1,0,0,0,0,0|1,0,1]=3 38 B7R1.4 N[C@H]1CCNC1=O 51276 [1,0,0,0,0,0|1,0,1]=3 39 B7R1.4 N[C@H]1CCNC1=O 51277 [1,0,0,0,0,0|1,0,1]=3 40 B7R1.4 N[C@H]1CCNC1=O 51278 [1,0,0,0,0,0|1,0,1]=3 41 B7R1.4 N[C@H]1CCNC1=O F14678 [1,0,0,0,0,0|1,0,1]=3 42 B7R1.4 N[C@H]1CCSC1=O O10218 [1,0,0,0,0,0|2,0,1]=4 43 B7R1.4 N[C@H]1CONC1=O FD3007 [1,0,0,0,0,0|2,0,0]=3 44 B7R1.4 O=C1NCC[C@@H]1Br 78555 [1,0,0,0,0,0|2,0,1]=4 45 B9R1.37 CN1C(=O)C[C@H](N)C1=O P17111 [0,1,0,0,0,0|1,0,0]=2 46 B9R1.37 CN1CC(=O)N(C)C1=O H11521 [0,1,0,0,0,0|1,0,0]=2 47 B9R1.37 C[C@H]1C(=O)CC(=O)N1C 79650 [0,1,0,0,0,0|2,0,0]=3 48 B9R1.37 C[C@H]1C(=O)OC(=O)N1C P14136 [0,1,0,0,0,0|2,0,0]=3 49 B9R1.37 O=C1NC(=O)C(Cl)=C1Cl W12239 [0,1,0,0,0,0|2,0,1]=4 50 B9R1.38 CC1(C)CC(=O)NC1=O AB9146 [0,1,0,0,0,0|2,0,0]=3 51 B7R0.2 CC(C)OC(=O)NN A11099 [0,0,1,0,0,0|2,0,1]=4 52 B7R0.5 C=CC[C@H](N)C(=O)O 67602 [0,0,1,0,0,0|3,0,0]=4 53 B7R0.7 CCNC(=O)CNC A12930 [0,0,1,0,0,0|2,0,1]=4 54 B9R1.34 NC1=CC(=O)NC(F)=C1 P17190 [0,0,0,0,0,1|2,0,1]=4 55 B9R1.34 NC1CC(=O)NC(=O)C1 P17113 [0,0,0,0,0,1|1,0,0]=2 56 B9R1.34 O=C1C=C(I)NC(=O)N1 24672 [0,0,0,0,0,1|2,0,1]=4 57 B9R1.34 O=C1CC(=O)OC(=O)C1 C71213 [0,0,0,0,0,1|3,0,0]=4 58 B9R1.69 CC1=CN=C(N)C(=O)N1 C75150 [0,0,0,0,0,1|2,0,1]=4 59 B9R1.69 CC1=NNC(=O)C(N)=C1 P10094 [0,0,0,0,0,1|2,0,1]=4 60 B9R1.69 CC1=NNC(=O)N(N)C1 D94534 [0,0,0,0,0,1|1,0,0]=2 61 B9R1.69 CC1=NNC(=O)NC1=O T71473 [0,0,0,0,0,1|3,0,0]=4 62 B9R1.69 CN1C=CC(=O)NC1=O AT19346 [0,0,0,0,0,1|1,0,1]=3 63 B9R1.69 CN1CC(=O)NCC1=O P12381 [0,0,0,0,0,1|1,0,0]=2 64 B9R1.69 CN1CCC(=O)CC1=O P13026 [0,0,0,0,0,1|2,0,0]=3 65 B9R1.69 C[C@H]1CCC(=O)NC1=O W17200 [0,0,0,0,0,1|2,0,0]=3 66 B9R1.69 C[C@H]1CN(C)C(=O)CN1 P10820 [0,0,0,0,0,1|2,0,1]=4 67 B9R1.69 C[C@H]1CN(C)C(=O)CN1 P17891 [0,0,0,0,0,1|2,0,1]=4 68 B9R1.69 C[C@H]1CN(C)C(=O)CN1 P17892 [0,0,0,0,0,1|2,0,1]=4 69 B9R1.69 NC1=NC(=O)NC=C1Cl H10210 [0,0,0,0,0,1|3,0,0]=4 70 B9R1.69 NC1=NC=C(Br)NC1=O Y10053 [0,0,0,0,0,1|2,0,1]=4 71 B9R1.69 NC1=NNC(=O)NC1=O P20706 [0,0,0,0,0,1|2,0,0]=3 72 B9R1.69 N[C@H]1CCC(=O)NC1=O AT11186 [0,0,0,0,0,1|1,0,0]=2 73 B9R1.69 O=C1C=C(Cl)C(=O)NN1 O11196 [0,0,0,0,0,1|2,0,1]=4 74 B9R1.69 O=C1NC=C(O)C(=O)N1 A12566 [0,0,0,0,0,1|2,0,1]=4 75 B6R0.1 CNC(=O)CCN C75423 [1,0,1,0,0,0|1,0,1]=4 76 B6R0.2 CC(=O)CC(=O)[O-] T70807 [1,0,1,0,0,0|2,0,0]=4 77 B6R0.2 CC(C)NC(N)=O 44261 [1,0,1,0,0,0|1,0,1]=4 78 B6R0.2 NC(=O)CC(=O)O F20599 [1,0,1,0,0,0|2,0,0]=4 79 B6R0.4 CC(=O)CCC=O P17049 [1,0,1,0,0,0|2,0,0]=4 80 B6R0.3 CC[C@H](N)C(N)=O I10243 [1,0,1,0,0,0|1,0,1]=4 81 B6R0.3 CNC(=O)[C@H](C)N C78177 [1,0,1,0,0,0|1,0,1]=4 82 B6R0.3 CNC(=O)[C@H](C)N C78349 [1,0,1,0,0,0|1,0,1]=4 83 B6R0.3 CNC(=O)[C@H](C)N FD21069 [1,0,1,0,0,0|1,0,1]=4 84 B6R0.3 NC(=O)[C@@H](N)CO D75098 [1,0,1,0,0,0|1,0,1]=4 85 B6R1.2 NC1=CNC=C1 D82737 [2,0,0,0,0,0|1,0,1]=4 86 B6R1.2 NC1=CNC=N1 21115 [2,0,0,0,0,0|2,0,0]=4 87 B6R1.2 NC1=CNC=N1 52247 [2,0,0,0,0,0|2,0,0]=4 88 B6R1.2 NN1C=CN=C1 C76661 [2,0,0,0,0,0|0,0,2]=4 89 B6R1.2 NN1C=CN=C1 Y10352 [2,0,0,0,0,0|0,0,2]=4 90 B6R1.2 O=C1C=CCN1 AC1277 [2,0,0,0,0,0|1,0,0]=3 91 B6R1.2 O=C1CNCN1 25530 [2,0,0,0,0,0|0,0,1]=3 92 B8R0.23 NC(=O)[C@@H](N)CC(=O)O FD21181 [0,1,1,0,0,0|2,0,0]=4 93 B8R1.1 NC[C@@H]1CNC(=O)C1 37317 [1,1,0,0,0,0|1,0,1]=4 94 B8R1.1 NC[C@@H]1CNC(=O)C1 37318 [1,1,0,0,0,0|1,0,1]=4 95 B8R1.1 NC[C@@H]1CNC(=O)C1 P15063 [1,1,0,0,0,0|1,0,1]=4 96 B8R1.50 CN1C(=O)CCC1=O D70368 [1,1,0,0,0,0|1,0,0]=3 97 B8R1.50 NN1C(=O)CCC1=O T70071 [1,1,0,0,0,0|1,0,0]=3 98 B8R1.25 NC1=C(N)C(=O)C1=O 67708 [0,1,0,0,1,0|1,0,1]=4 99 B10R1.22 CN1C(=O)CC(=O)NC1=O C15427 [0,1,0,0,0,1|2,0,0]=4 100 B10R1.25 CNC1=CNC(=O)NC1=O C13321 [0,1,0,0,0,1|1,0,1]=4 101 B10R1.63 CC1(C)CCC(=O)NC1=O AB22481 [0,1,0,0,0,1|2,0,0]=4 102 B10R1.63 C[C@]1(N)CCC(=O)NC1=O W11228 [0,1,0,0,0,1|1,0,0]=3 103 B10R1.118 CN1C=C(Br)C(=O)NC1=O AC2036 [0,1,0,0,0,1|1,0,1]=4 104 B10R1.118 CN1C=C(I)C(=O)NC1=O C13532 [0,1,0,0,0,1|1,0,1]=4 105 B10R1.256 CCN1C(=O)C[C@H](O)C1=O A11588 [0,2,0,0,0,0|2,0,0]=4 106 B8R1.4 O=C1CNCC(=O)C1 91786 [0,0,1,1,0,0|2,0,0]=4 107 B8R1.4 O=C1COCC(=O)N1 AR2999 [0,0,1,1,0,0|2,0,0]=4 108 B8R1.4 O=C1N=CNC(=O)N1 F12722 [0,0,1,1,0,0|2,0,0]=4 109 B8R1.23 CC(=O)N1CC(=O)C1 D96529 [0,0,1,1,0,0|2,0,0]=4 110 B8R1.23 O=C1C[C@@H](C(=O)O)N1 P10146 [0,0,1,1,0,0|2,0,0]=4 111 B8R1.23 O=C1C[C@@H](C(=O)O)N1 P11831 [0,0,1,1,0,0|2,0,0]=4 112 B10R2.42 O=C1NC(=O)C2CCC12 D72910 [0,1,0,1,0,0|2,0,0]=4 113 B6R1.4 C[C@H]1CNC1=O P20594 [1,0,0,0,1,0|1,0,1]=4 114 B6R1.5 CN1CC(=O)C1 P15929 [1,0,0,0,1,0|1,0,1]=4 115 B8R0.9 CC(=O)NNC(=O)CCl A12492 [0,0,1,0,0,1|2,0,0]=4 116 B8R1.3 C[C@H]1CNC(=O)CN1 P15845 [1,0,0,0,0,1|1,0,1]=4 117 B8R1.3 C[C@H]1CNC(=O)CN1 P17730 [1,0,0,0,0,1|1,0,1]=4 118 B8R1.3 C[C@H]1CNC(=O)CN1 P18573 [1,0,0,0,0,1|1,0,1]=4 119 B8R1.3 N[C@H]1CCC(=O)NC1 37582 [1,0,0,0,0,1|1,0,1]=4 120 B8R1.3 N[C@H]1CCC(=O)NC1 D95207 [1,0,0,0,0,1|1,0,1]=4 121 B8R1.3 N[C@H]1CCC(=O)NC1 P10248 [1,0,0,0,0,1|1,0,1]=4 122 B8R1.3 O=C1CCC(=O)OC1 P20160 [1,0,0,0,0,1|2,0,0]=4 123 B8R1.3 O=C1NCC(O)CN1 D82915 [1,0,0,0,0,1|0,0,2]=4