0 B8R1.18 CC1=CC(=O)OC1=O HY-78035 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.18 CC1CC(=O)OC1=O HY-Z0059 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.18 CN1CC(=O)N=C1N HY-B0504 [0,0,0,0,0,0|2,0,1]=3 3 B8R1.18 CN1CC(=O)N=C1N HY-B0504R [0,0,0,0,0,0|2,0,1]=3 4 B8R1.18 CN1CC(=O)NC1=O HY-113382 [0,0,0,0,0,0|1,0,0]=1 5 B8R1.18 CN1SC(Cl)=CC1=O HY-W017982 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.18 NN1CC(=O)NC1=O HY-23506 [0,0,0,0,0,0|0,0,0]=0 7 B8R1.18 NN1CC(=O)NC1=O HY-Y0469 [0,0,0,0,0,0|0,0,0]=0 8 B8R1.18 NN1CC(=O)NC1=O HY-Y0469R [0,0,0,0,0,0|0,0,0]=0 9 B8R1.18 O=C1C=C(Br)C(=O)N1 HY-W076794 [0,0,0,0,0,0|2,0,1]=3 10 B7R1.2 CC1=CC(=O)CC1 HY-W013014 [1,0,0,0,0,0|3,0,0]=4 11 B7R1.2 CC1=CCC(=O)O1 HY-N0548 [1,0,0,0,0,0|3,0,0]=4 12 B7R1.2 O=C1C=CC(=O)N1 HY-W007324 [1,0,0,0,0,0|1,0,1]=3 13 B7R1.2 O=C1CCC(=O)C1 HY-75355 [1,0,0,0,0,0|2,0,0]=3 14 B7R1.2 O=C1CCC(=O)N1 HY-41877 [1,0,0,0,0,0|1,0,0]=2 15 B7R1.2 O=C1CCC(=O)O1 HY-79369 [1,0,0,0,0,0|2,0,0]=3 16 B7R1.2 O=C1CNC(=S)N1 HY-W012896 [1,0,0,0,0,0|0,1,0]=2 17 B7R1.2 O=C1CSC(=O)N1 HY-59272 [1,0,0,0,0,0|1,0,0]=2 18 B7R1.2 O=C1CSC(=S)N1 HY-W010365 [1,0,0,0,0,0|1,1,0]=3 19 B7R1.2 O=C1C[C@H](O)CN1 HY-W002597 [1,0,0,0,0,0|1,0,2]=4 20 B7R1.4 CN1CCCC1=O HY-Y1275 [1,0,0,0,0,0|2,0,1]=4 21 B7R1.4 CN1CCNC1=O HY-W005507 [1,0,0,0,0,0|1,0,1]=3 22 B7R1.4 CN1SC=CC1=O HY-W010243 [1,0,0,0,0,0|3,0,0]=4 23 B7R1.4 CN1SC=CC1=O HY-W010520 [1,0,0,0,0,0|3,0,0]=4 24 B7R1.4 NC1CCSC1=O HY-101404 [1,0,0,0,0,0|2,0,1]=4 25 B7R1.4 N[C@@H]1CONC1=O HY-B0030 [1,0,0,0,0,0|2,0,0]=3 26 B7R1.4 N[C@@H]1CONC1=O HY-B0030R [1,0,0,0,0,0|2,0,0]=3 27 B7R1.4 N[C@H]1CCSC1=O HY-101404A [1,0,0,0,0,0|2,0,1]=4 28 B7R1.4 N[C@H]1CONC1=O HY-B1122 [1,0,0,0,0,0|2,0,0]=3 29 B7R1.4 [C@H]1(N)CCOC1=O HY-W015800 [1,0,0,0,0,0|2,0,1]=4 30 B9R1.37 CN1C(=O)NC(=O)C1O HY-111314 [0,1,0,0,0,0|1,0,0]=2 31 B9R1.37 O=C1NC(=O)C(Br)=C1Br HY-W004756 [0,1,0,0,0,0|2,0,1]=4 32 B9R1.38 CC1(C)OC(=O)NC1=O HY-B1348 [0,1,0,0,0,0|3,0,0]=4 33 B7R0.2 CC(=O)CC(=O)O[Na] HY-112540B [0,0,1,0,0,0|3,0,0]=4 34 B7R0.2 CN(CC(=O)O)N=O HY-W188178 [0,0,1,0,0,0|3,0,0]=4 35 B7R0.2 COC(=O)CC(C)=O HY-Y1298 [0,0,1,0,0,0|3,0,0]=4 36 B7R0.2 [Li]OC(=O)CC(C)=O HY-112540A [0,0,1,0,0,0|3,0,0]=4 37 B7R0.5 C=CC[C@H](N)C(=O)O HY-W015595 [0,0,1,0,0,0|3,0,0]=4 38 B7R0.5 [C@@H](N)(CC=C)C(=O)O HY-W012907 [0,0,1,0,0,0|3,0,0]=4 39 B9R1.34 CC1=CC(=O)NC(=O)N1 HY-Y1125 [0,0,0,0,0,1|2,0,1]=4 40 B9R1.34 NC1=CC(=O)NC(=S)N1 HY-75601A [0,0,0,0,0,1|1,1,1]=4 41 B9R1.34 O=C1CC(=O)NC(=S)N1 HY-77962 [0,0,0,0,0,1|2,1,0]=4 42 B9R1.34 O=C1N=C(Cl)NC(=O)N1 HY-65092 [0,0,0,0,0,1|3,0,0]=4 43 B9R1.69 CC1=CNC(=O)NC1=O HY-W010450 [0,0,0,0,0,1|2,0,1]=4 44 B9R1.69 CC1=NNC(=O)NC1=O HY-136559 [0,0,0,0,0,1|3,0,0]=4 45 B9R1.69 CC1CNC(=O)NC1=O HY-N6787 [0,0,0,0,0,1|2,0,0]=3 46 B9R1.69 C[C@@H]1NC(=O)CNC1=O HY-75564 [0,0,0,0,0,1|3,0,0]=4 47 B9R1.69 NC1=NC(=O)NC=C1Br HY-W015205 [0,0,0,0,0,1|3,0,0]=4 48 B9R1.69 O=C1NC=C(Br)C(=O)N1 HY-W001982 [0,0,0,0,0,1|2,0,1]=4 49 B9R1.69 O=C1NC=C(Cl)C(=O)N1 HY-I0959 [0,0,0,0,0,1|2,0,1]=4 50 B9R1.69 O=C1NC=C(F)C(=O)N1 HY-90006 [0,0,0,0,0,1|2,0,1]=4 51 B9R1.69 O=C1NC=C(F)C(=O)N1 HY-90006R [0,0,0,0,0,1|2,0,1]=4 52 B9R1.69 [15NH]1C=C([13CH3])C(=O)[15NH]C1=O HY-W747214 [0,0,0,0,0,1|2,0,1]=4 53 B6R0.4 C=CCNC(N)=S HY-B0543 [1,0,1,0,0,0|1,1,0]=4 54 B6R0.4 O=CNCC(=O)O HY-128735 [1,0,1,0,0,0|1,0,0]=3 55 B6R0.3 CC[C@H](N)C(N)=O HY-79491 [1,0,1,0,0,0|1,0,1]=4 56 B6R0.3 NC(=O)[C@@H](N)CO HY-W008254 [1,0,1,0,0,0|1,0,1]=4 57 B6R1.2 O=C1C=CCC1 HY-W010643 [2,0,0,0,0,0|2,0,0]=4 58 B6R1.2 O=C1C=CCO1 HY-W008270 [2,0,0,0,0,0|2,0,0]=4 59 B6R1.2 O=C1NCCN1 HY-W031536 [2,0,0,0,0,0|0,0,1]=3 60 B8R0.23 NC(=O)CC(N)C(=O)O HY-W017442 [0,1,1,0,0,0|1,0,0]=3 61 B8R0.23 NC(=O)C[C@@H](N)C(=O)O HY-W010378 [0,1,1,0,0,0|1,0,0]=3 62 B8R0.23 NC(=O)C[C@H](N)C(=O)O HY-N0667R [0,1,1,0,0,0|1,0,0]=3 63 B8R0.23 NC(=O)C[C@H](N)C(=O)O HY-W017443 [0,1,1,0,0,0|1,0,0]=3 64 B8R0.23 NC(CC(=O)O)C(=O)O HY-W015824 [0,1,1,0,0,0|2,0,0]=4 65 B8R0.23 N[C@@H](CC(=O)O)C(=O)O HY-N0666R [0,1,1,0,0,0|2,0,0]=4 66 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] HY-N0666C [0,1,1,0,0,0|2,0,0]=4 67 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] HY-N0666B [0,1,1,0,0,0|2,0,0]=4 68 B8R0.23 [15NH2]C(=O)C[C@H]([15NH2])C(=O)O HY-N0667S2 [0,1,1,0,0,0|1,0,0]=3 69 B8R0.23 [15NH2][13C@@H]([13CH2][13C](=O)O)[13C](=O)O HY-N0666S1 [0,1,1,0,0,0|2,0,0]=4 70 B8R1.50 O=C1CCC(=O)N1Br HY-Y0775 [1,1,0,0,0,0|1,0,0]=3 71 B8R1.50 O=C1CCC(=O)N1Cl HY-Y0532 [1,1,0,0,0,0|1,0,0]=3 72 B8R1.50 O=C1CCC(=O)N1I HY-ER017 [1,1,0,0,0,0|1,0,0]=3 73 B8R1.50 O=C1CCC(=O)N1O HY-Y0623 [1,1,0,0,0,0|1,0,0]=3 74 B10R1.119 CN1C=CC(=O)N(C)C1=O HY-W008343 [0,1,0,0,0,1|1,0,1]=4 75 B10R1.475 CCC1(C)CC(=O)NC1=O HY-B1378 [0,2,0,0,0,0|2,0,0]=4 76 B10R1.339 CN1C(=O)NC(=O)C1(C)C HY-W012606 [0,2,0,0,0,0|1,0,0]=3 77 B8R1.4 O=C1C=CNC(=O)N1 HY-I0960 [0,0,1,1,0,0|1,0,1]=4 78 B8R1.4 O=C1C=CNC(=O)N1 HY-I0960R [0,0,1,1,0,0|1,0,1]=4 79 B8R1.4 O=C1CCCC(=O)N1 HY-I0466 [0,0,1,1,0,0|2,0,0]=4 80 B8R1.4 O=C1CCNC(=O)N1 HY-W012926 [0,0,1,1,0,0|1,0,0]=3 81 B8R1.4 O=[13C]1[13CH]=[13CH][15NH][13C](=O)[15NH]1 HY-I0960S3 [0,0,1,1,0,0|1,0,1]=4 82 B8R0.9 NCC(=O)NCC(=O)O HY-D0889R [0,0,1,0,0,1|2,0,0]=4 83 B8R1.3 O=C1C=CC(=O)NN1 HY-59354 [1,0,0,0,0,1|1,0,1]=4 84 B8R1.3 O=C1CCC(=O)CC1 HY-W010554 [1,0,0,0,0,1|2,0,0]=4