0 B16R2.46425 CCC1(NC(=O)NC1=O)C2=CC=CC=C2 Z56757176 [0,0,0,0,0,0|0,0,0]=0 1 B16R2.46425 NCC1(NC(=O)NC1=O)C2=CC=CC=C2 Z3213825371 [0,0,0,0,0,0|1,0,0]=1 2 B15R2.324 CC1(CC(=O)NC1=O)C2=CC=CC=C2 Z384975224 [1,0,0,0,0,0|1,0,0]=2 3 B15R2.324 CC1(CC(=O)OC1=O)C2=CC=CC=C2 Z96091867 [1,0,0,0,0,0|2,0,0]=3 4 B15R2.324 CC1(NC(=O)NC1=O)C2=CC=CC=C2 Z56899095 [1,0,0,0,0,0|0,0,0]=1 5 B15R2.324 CC1(NC(=O)NC1=O)C2=CC=NC=C2 Z56858189 [1,0,0,0,0,0|1,0,0]=2 6 B15R2.324 CC1(NC(=O)NC1=O)C2=CN=CC=C2 Z240132052 [1,0,0,0,0,0|1,0,0]=2 7 B15R2.324 CC1(NC(=O)NC1=O)C2=NC=CC=C2 Z240132048 [1,0,0,0,0,0|1,0,0]=2 8 B15R2.324 CC1(NC(=O)NC1=O)C2=NC=CN=C2 Z1205738743 [1,0,0,0,0,0|2,0,0]=3 9 B15R2.324 CC1(OC(=NC1=O)N)C2=CC=CC=C2 Z1262627420 [1,0,0,0,0,0|2,0,1]=4 10 B15R2.324 CC1(OC(=O)NC1=O)C2=CC=CC=C2 Z1262692248 [1,0,0,0,0,0|1,0,0]=2 11 B15R2.324 CC1NC(=O)OC1(C)C2=CC=CC=C2 Z1216837324 [1,0,0,0,0,0|2,0,1]=4 12 B15R2.324 C[C@@]1(NC(=O)NC1=O)C2=CC=CC=C2 Z1262692108 [1,0,0,0,0,0|0,0,0]=1 13 B15R2.324 C[C@]1(NC(=O)NC1=O)C2=CC=CC=C2 Z1262691920 [1,0,0,0,0,0|0,0,0]=1 14 B15R2.5167 NCC1(CCC(=O)N1)C2=CC=CC=C2 Z1837330830 [1,0,0,0,0,0|2,0,1]=4 15 B15R2.5167 O=C1CC(CN1)(CO)C2=CC=CC=C2 Z2235386865 [1,0,0,0,0,0|2,0,1]=4 16 B17R2.13193 CCC1(NC(=O)N(C1=O)C)C2=CC=CC=C2 Z53843610 [0,1,0,0,0,0|0,0,0]=1 17 B17R2.13193 CCC1(NC(=O)N(C1=O)N)C2=CC=CC=C2 Z89272870 [0,1,0,0,0,0|0,0,0]=1 18 B17R2.80408 CCC1(NC(=O)NC1=O)C2=CC(=CC=C2)Cl Z56893173 [0,1,0,0,0,0|0,0,0]=1 19 B17R2.80415 CCC1(CC(=O)NC1=O)C2=CC=C(C=C2)C Z384975006 [0,1,0,0,0,0|1,0,0]=2 20 B17R2.80415 CCC1(CC(=O)OC1=O)C2=CC=C(C=C2)C Z381023306 [0,1,0,0,0,0|2,0,0]=3 21 B17R2.80415 CCC1(NC(=O)NC1=O)C2=CC=C(C=C2)Cl Z56919125 [0,1,0,0,0,0|0,0,0]=1 22 B17R2.80415 CCC1(NC(=O)NC1=O)C2=CC=C(C=C2)F Z56867200 [0,1,0,0,0,0|0,0,0]=1 23 B17R2.80415 CCC1(NC(=O)NC1=O)C2=CC=C(C=C2)O Z240132176 [0,1,0,0,0,0|0,0,0]=1 24 B17R2.142329 CCCC1(NC(=O)NC1=O)C2=CC=CC=C2 Z56862783 [0,1,0,0,0,0|0,0,0]=1 25 B15R1.1350 CCC(C(=O)NC(=O)N)C1=CC=CC=C1 Z995154698 [0,0,1,0,0,0|0,0,0]=1 26 B15R1.1350 CCC(C(=O)NC(C)C)C1=CC=CC=C1 Z54332103 [0,0,1,0,0,0|2,0,1]=4 27 B15R1.1350 CCC(C1=CC=CC=C1)S(=O)CC(=O)N Z1407852495 [0,0,1,0,0,0|2,0,0]=3 28 B17R3.34638 N=C1NC(=O)OC12CCC3=C2C=CC=C3 Z2027049446 [0,0,0,1,0,0|2,0,0]=3 29 B17R3.34638 O=C1CC2(CCC3=C2C=CC=C3)C(=O)N1 Z384974988 [0,0,0,1,0,0|1,0,0]=2 30 B17R3.34638 O=C1NC(=O)C2(N1)CCC3=C2C=CC=C3 Z56862798 [0,0,0,1,0,0|0,0,0]=1 31 B17R3.34638 O=C1NC(=O)C2(O1)CCC3=C2C=CC=C3 Z1509167903 [0,0,0,1,0,0|1,0,0]=2 32 B14R1.3297 C=CC(=O)N[C@@H](CC)C1=CC=CC=C1 Z2327494958 [1,0,1,0,0,0|1,0,0]=3 33 B14R1.3297 C=CC(=O)N[C@@H](CF)C1=CC=CC=C1 Z4335402653 [1,0,1,0,0,0|2,0,0]=4 34 B14R1.3297 C=CC(=O)N[C@@H](CO)C1=CC=CC=C1 Z1509255640 [1,0,1,0,0,0|2,0,0]=4 35 B14R1.3297 C=CC(=O)N[C@H](CC)C1=CC=CC=C1 Z2327494978 [1,0,1,0,0,0|1,0,0]=3 36 B14R1.3297 C=CC(=O)N[C@H](CF)C1=CC=CC=C1 Z4335402655 [1,0,1,0,0,0|2,0,0]=4 37 B14R1.3297 C=CC(=O)N[C@H](CO)C1=CC=CC=C1 Z1946914696 [1,0,1,0,0,0|2,0,0]=4 38 B14R1.3297 CCC(NC(=O)CN)C1=CC=CC=C1 Z1449946402 [1,0,1,0,0,0|1,0,1]=4 39 B14R1.417 NC(=O)NC(=O)C(Cl)C1=CC=CC=C1 Z57000477 [1,0,1,0,0,0|1,0,0]=3 40 B14R1.2982 CCC(N)(C(=O)OC)C1=CC=CC=C1 Z477335874 [1,0,1,0,0,0|1,0,1]=4 41 B14R1.3642 CCC(C)(NC(=O)N)C1=CC=CC=C1 Z1153386323 [1,0,1,0,0,0|0,0,1]=3 42 B14R1.3642 CCC(O)(CC(=O)N)C1=CC=CC=C1 Z1198158614 [1,0,1,0,0,0|1,0,1]=4 43 B14R2.317 CC1(CCNC1=O)C2=CC=CC=C2 Z1509156364 [2,0,0,0,0,0|1,0,1]=4 44 B14R2.598 O=C1CC(=O)N(N1)C2=CC=CC=C2 Z57475324 [2,0,0,0,0,0|2,0,0]=4 45 B14R2.598 O=C1CC(C(=O)N1)C2=CC=CC=C2 Z104341276 [2,0,0,0,0,0|1,0,0]=3 46 B14R2.598 O=C1CC(C(=O)O1)C2=CC=CC=C2 Z99601248 [2,0,0,0,0,0|2,0,0]=4 47 B14R2.598 O=C1CN(C(=O)N1)C2=CC=CC=C2 Z57138521 [2,0,0,0,0,0|2,0,0]=4 48 B14R2.598 O=C1NC(=O)C(N1)C2=CC=CC=C2 Z57474290 [2,0,0,0,0,0|0,0,0]=2 49 B14R2.598 O=C1NC(=O)C(O1)C2=CC=CC=C2 Z1198149953 [2,0,0,0,0,0|1,0,0]=3 50 B14R2.598 O=C1NC(=O)N(N1)C2=CC=CC=C2 Z55928831 [2,0,0,0,0,0|1,0,0]=3 51 B14R2.2950 CC1(CNC(=O)C1)C2=CC=CC=C2 Z1263715001 [2,0,0,0,0,0|1,0,1]=4 52 B14R2.2950 CC1(CNC(=O)N1)C2=CC=CC=C2 Z1509151367 [2,0,0,0,0,0|0,0,1]=3 53 B16R1.15559 CCNC(=O)NC(C)(CC)C1=CC=CC=C1 Z1153386359 [0,1,1,0,0,0|1,0,1]=4 54 B16R1.3315 CCC(C(=O)NS(=O)(=O)C)C1=CC=CC=C1 Z612348446 [0,1,1,0,0,0|2,0,0]=4 55 B16R1.12587 CCC(NC(=O)C)(C(=O)O)C1=CC=CC=C1 Z1147230614 [0,1,1,0,0,0|1,0,0]=3 56 B16R2.11796 CC1(NC(=O)N(C1=O)N)C2=CC=CC=C2 Z56928545 [1,1,0,0,0,0|0,0,0]=2 57 B16R2.11796 CN1C(=O)CC(C1=O)(C)C2=CC=CC=C2 Z649373426 [1,1,0,0,0,0|1,0,0]=3 58 B16R2.80686 CC1(NC(=O)NC1=O)C2=CC(=CC=C2)Br Z56867260 [1,1,0,0,0,0|0,0,0]=2 59 B16R2.80686 CC1(NC(=O)NC1=O)C2=CC(=CC=C2)Cl Z240132148 [1,1,0,0,0,0|0,0,0]=2 60 B16R2.80686 CC1(NC(=O)NC1=O)C2=CC(=CC=C2)N Z406679134 [1,1,0,0,0,0|0,0,0]=2 61 B16R2.84020 CC1(NC(=O)NC1=O)C2=C(C=CC=C2)Br Z56942059 [1,1,0,0,0,0|0,0,0]=2 62 B16R2.84020 CC1(NC(=O)NC1=O)C2=C(C=CC=C2)Cl Z56867242 [1,1,0,0,0,0|0,0,0]=2 63 B16R2.84020 CC1(NC(=O)NC1=O)C2=C(C=CC=C2)F Z240132082 [1,1,0,0,0,0|0,0,0]=2 64 B16R2.84020 CC1(NC(=O)NC1=O)C2=C(C=CC=C2)N Z276005814 [1,1,0,0,0,0|0,0,0]=2 65 B16R2.84020 CC1(NC(=O)NC1=O)C2=C(N=CC=C2)Cl Z1436077071 [1,1,0,0,0,0|1,0,0]=3 66 B16R2.84020 CC1=C(C=CC=C1)C2(NC(=O)NC2=O)C Z240132248 [1,1,0,0,0,0|0,0,0]=2 67 B16R2.167681 CC1(CC(=O)NC1=O)C2=CC=C(C=C2)Br Z384975048 [1,1,0,0,0,0|1,0,0]=3 68 B16R2.167681 CC1(CC(=O)NC1=O)C2=CC=C(C=C2)F Z384974976 [1,1,0,0,0,0|1,0,0]=3 69 B16R2.167681 CC1(NC(=O)NC1=O)C2=CC=C(C=C2)Br Z119985434 [1,1,0,0,0,0|0,0,0]=2 70 B16R2.167681 CC1(NC(=O)NC1=O)C2=CC=C(C=C2)Cl Z56763940 [1,1,0,0,0,0|0,0,0]=2 71 B16R2.167681 CC1(NC(=O)NC1=O)C2=CC=C(C=C2)F Z56758225 [1,1,0,0,0,0|0,0,0]=2 72 B16R2.167681 CC1(NC(=O)NC1=O)C2=CC=C(C=C2)I Z1123802517 [1,1,0,0,0,0|0,0,0]=2 73 B16R2.167681 CC1(NC(=O)NC1=O)C2=CC=C(C=C2)N Z362834274 [1,1,0,0,0,0|0,0,0]=2 74 B16R2.167681 CC1(NC(=O)NC1=O)C2=CC=C(C=C2)O Z240132012 [1,1,0,0,0,0|0,0,0]=2 75 B16R2.167681 CC1=CC=C(C=C1)C2(CC(=O)NC2=O)C Z384975222 [1,1,0,0,0,0|1,0,0]=3 76 B16R2.167681 CC1=CC=C(C=C1)C2(NC(=O)NC2=O)C Z56757185 [1,1,0,0,0,0|0,0,0]=2 77 B16R2.167681 C[N+]1=CC=C(C=C1)C2(NC(=O)NC2=O)C Z1089964738 [1,1,0,0,0,0|1,0,0]=3 78 B16R2.46426 CCC1(NC(=O)NC1=O)C2=CN(N=C2)C Z1496527748 [0,1,0,0,1,0|2,0,0]=4 79 B18R2.134435 CCC1(CCC(=O)NC1=O)C2=CC=C(C=C2)N Z800191876 [0,1,0,0,0,1|1,0,0]=3 80 B18R2.20329 CCC1(NC(=O)N(C1=O)C)C2=CC=C(C=C2)Cl Z53844086 [0,2,0,0,0,0|0,0,0]=2 81 B18R2.21367 CCN1C(=O)NC(C1=O)(CC)C2=CC=CC=C2 Z53843611 [0,2,0,0,0,0|0,0,0]=2 82 B18R2.35651 CCC1(NC(=O)NC1=O)C2=CC=C(C=C2)OC Z89264911 [0,2,0,0,0,0|0,0,0]=2 83 B18R2.35651 CCC1=CC=C(C=C1)C2(NC(=O)NC2=O)CC Z414322604 [0,2,0,0,0,0|0,0,0]=2 84 B18R2.30702 CC(C)CC1(NC(=O)NC1=O)C2=CC=CC=C2 Z56931861 [0,2,0,0,0,0|0,0,0]=2 85 B16R2.766 CONC(=O)N1CCC1C2=CC=CC=C2 Z788446846 [0,0,1,1,0,0|2,0,0]=4 86 B16R2.2998 CC1(CCC(=O)NC1=O)C2=CC=NC=C2 Z1509263934 [0,0,1,1,0,0|2,0,0]=4 87 B16R3.19959 O=C1NC(=O)[C@]2([C@@H]1C2)C3=CC=CC=C3 Z2938770871 [1,0,0,1,0,0|1,0,0]=3 88 B18R3.58376 O=C1NC(=O)C2(N1)CCC3=C(C2)C=CC=C3 Z56870765 [0,0,0,1,0,1|0,0,0]=2 89 B18R3.832541 O=C1CC2(CCC3=C(C=CC=C23)Br)C(=O)N1 Z1954187803 [0,1,0,1,0,0|1,0,0]=3 90 B18R3.8784319 O=C1NC(=O)C2(N1)CCC3=C2C=C(C=C3)Br Z2007115044 [0,1,0,1,0,0|0,0,0]=2 91 B18R3.8784319 O=C1NC(=O)[C@@]2(N1)CCC3=C2C=C(C=C3)Br Z4595518827 [0,1,0,1,0,0|0,0,0]=2 92 B18R3.8784319 O=C1NC(=O)[C@]2(N1)CCC3=C2C=C(C=C3)Br Z4595532128 [0,1,0,1,0,0|0,0,0]=2 93 B18R3.427090 O=C1CC2(CCC3=C2C=CC(=C3)Br)C(=O)N1 Z1470495383 [0,1,0,1,0,0|1,0,0]=3 94 B18R3.427090 O=C1CC2(CCC3=C2C=CC(=C3)Cl)C(=O)N1 Z1470495382 [0,1,0,1,0,0|1,0,0]=3 95 B18R3.427090 O=C1NC(=O)C2(N1)CCC3=C2C=CC(=C3)Cl Z1443585460 [0,1,0,1,0,0|0,0,0]=2 96 B18R3.617491 N=C1NC(=O)OC12CCCC3=C2C=CC=C3 Z2027049469 [0,1,0,1,0,0|2,0,0]=4 97 B18R3.617491 O=C1NC(=O)C2(N1)CCCC3=C2C=CC=C3 Z56759024 [0,1,0,1,0,0|0,0,0]=2 98 B18R3.617491 O=C1NC(=O)C2(N1)CCOC3=C2C=CC=C3 Z56886595 [0,1,0,1,0,0|0,0,0]=2 99 B18R3.617491 O=C1NC(=O)C2(N1)CCSC3=C2C=CC=C3 Z228583212 [0,1,0,1,0,0|0,0,0]=2 100 B18R3.617491 O=C1NC(=O)C2(O1)CCCC3=C2C=CC=C3 Z1509167906 [0,1,0,1,0,0|1,0,0]=3 101 B14R2.4454 CC1(CC(=O)NC1=O)C2=CSC=C2 Z954552180 [1,0,0,0,1,0|2,0,0]=4 102 B14R2.4454 CC1(NC(=O)NC1=O)C2=CC=CO2 Z119920520 [1,0,0,0,1,0|1,0,0]=3 103 B14R2.4454 CC1(NC(=O)NC1=O)C2=CC=CS2 Z166624044 [1,0,0,0,1,0|1,0,0]=3 104 B14R2.4454 CC1(NC(=O)NC1=O)C2=CSC=C2 Z954550826 [1,0,0,0,1,0|1,0,0]=3 105 B14R2.4454 CC1(NC(=O)NC1=O)C2=NC=CS2 Z1258518907 [1,0,0,0,1,0|2,0,0]=4 106 B16R2.11768 CC1(NC(=O)NC1=O)CC2=CC=NC=C2 Z1509212776 [1,0,0,0,0,1|1,0,0]=3 107 B16R2.22306 CC1(CC(=O)NC(=O)C1)C2=CC=CC=C2 Z1095368756 [1,0,0,0,0,1|1,0,0]=3