0 B9R0.7 C=C(C)C(=O)NCC(=O)O MCULE-9965285150 [0,0,0,0,0,0|1,0,3]=4 1 B9R0.7 CC(=O)CNC(=O)C(C)Cl MCULE-4419592009 [0,0,0,0,0,0|2,0,2]=4 2 B9R0.7 CC(=O)COC(=O)C(C)Cl MCULE-1932001917 [0,0,0,0,0,0|3,0,1]=4 3 B9R0.7 CC(=O)NN=C(C)C(C)C MCULE-5842325933 [0,0,0,0,0,0|4,0,0]=4 4 B9R0.7 CC(C)C(=O)CCC(=O)O MCULE-9072643820 [0,0,0,0,0,0|2,0,1]=3 5 B9R0.7 CC(C)C(=O)NCC(=O)O MCULE-8263786936 [0,0,0,0,0,0|1,0,2]=3 6 B9R0.7 CC(C)N(C)CCC(=O)O MCULE-1211739557 [0,0,0,0,0,0|4,0,0]=4 7 B9R0.7 CC(C)N(C)CCC(=O)O MCULE-7992959591 [0,0,0,0,0,0|4,0,0]=4 8 B9R0.7 CC(Cl)C(=O)NCC(=O)O MCULE-9908034208 [0,0,0,0,0,0|1,0,2]=3 9 B9R0.7 CC(N)C(=O)NCC(=O)N MCULE-4006646204 [0,0,0,0,0,0|2,0,2]=4 10 B9R0.7 CC(N)C(=O)NCC(=O)N MCULE-6349133598 [0,0,0,0,0,0|2,0,2]=4 11 B9R0.7 CC(N)C(=O)NCC(=O)N MCULE-7301508385 [0,0,0,0,0,0|2,0,2]=4 12 B9R0.7 CC(N)C(=O)NCC(=O)O MCULE-5334499783 [0,0,0,0,0,0|1,0,2]=3 13 B9R0.7 CC(S)C(=O)NCC(=O)O MCULE-8593628629 [0,0,0,0,0,0|0,0,2]=2 14 B9R0.7 CN(C)C(=O)CCC(=O)O MCULE-7236596707 [0,0,0,0,0,0|3,0,1]=4 15 B9R0.7 CN(C)C(=O)NCC(=O)O MCULE-9308369846 [0,0,0,0,0,0|2,0,2]=4 16 B9R0.7 CN(C)C(=S)SCC(=O)O MCULE-4108083031 [0,0,0,0,0,0|3,1,0]=4 17 B9R0.7 C[C@@H](N)C(=O)NCC(=O)O MCULE-1572586456 [0,0,0,0,0,0|1,0,2]=3 18 B9R0.7 C[C@@H](N)C(=O)NCC(=O)O MCULE-2334963197 [0,0,0,0,0,0|1,0,2]=3 19 B9R0.7 C[C@@H](N)C(=O)NCC(=O)O MCULE-3041567092 [0,0,0,0,0,0|1,0,2]=3 20 B9R0.7 C[C@@H](N)C(=O)NCC(=O)O MCULE-5810433569 [0,0,0,0,0,0|1,0,2]=3 21 B9R0.7 C[C@H](N)C(=O)NCC(=O)N MCULE-4603378022 [0,0,0,0,0,0|2,0,2]=4 22 B9R0.7 C[C@H](N)C(=O)NCC(=O)N MCULE-6766283783 [0,0,0,0,0,0|2,0,2]=4 23 B9R0.7 C[C@H](N)C(=O)NCC(=O)N MCULE-9070332994 [0,0,0,0,0,0|2,0,2]=4 24 B9R0.7 C[C@H](N)C(=O)NCC(=O)N MCULE-9863378410 [0,0,0,0,0,0|2,0,2]=4 25 B9R0.7 C[C@H](N)C(=O)NCC(=O)O MCULE-1231323853 [0,0,0,0,0,0|1,0,2]=3 26 B9R0.7 C[C@H](N)C(=O)NCC(=O)O MCULE-6793382418 [0,0,0,0,0,0|1,0,2]=3 27 B9R0.7 C[C@H](S)C(=O)NCC(=O)O MCULE-3909668002 [0,0,0,0,0,0|0,0,2]=2 28 B8R0.9 CCC(=CCC(=O)O)C MCULE-3358969895 [1,0,0,0,0,0|2,0,0]=3 29 B8R0.9 CCC(=NNC(=O)N)C MCULE-1772875667 [1,0,0,0,0,0|3,0,0]=4 30 B8R0.9 CCC(=O)C=CC(=O)O MCULE-2770953486 [1,0,0,0,0,0|1,0,2]=4 31 B8R0.9 CCC(=O)CCC(=O)C MCULE-7923444653 [1,0,0,0,0,0|2,0,1]=4 32 B8R0.9 CCC(=O)CCC(=O)O MCULE-4505750030 [1,0,0,0,0,0|1,0,1]=3 33 B8R0.9 CCC(=O)NCC(=O)O MCULE-9173889437 [1,0,0,0,0,0|0,0,2]=3 34 B8R0.9 CCC(C)CCC(=O)O MCULE-9270270979 [1,0,0,0,0,0|2,0,1]=4 35 B8R0.9 CCC(C)NCC(=O)O MCULE-1578825700 [1,0,0,0,0,0|1,0,2]=4 36 B8R0.9 CCC(C)NCC(=O)O MCULE-8981987872 [1,0,0,0,0,0|1,0,2]=4 37 B8R0.9 CCC(C)OCC(=O)O MCULE-8235265405 [1,0,0,0,0,0|2,0,1]=4 38 B8R0.9 CCC(N)CCC(=O)O MCULE-3116763773 [1,0,0,0,0,0|2,0,1]=4 39 B8R0.9 CCC(N)CCC(=O)O MCULE-9126260921 [1,0,0,0,0,0|2,0,1]=4 40 B8R0.9 CCC(O)CCC(=O)O MCULE-1512608136 [1,0,0,0,0,0|1,0,1]=3 41 B8R0.9 CCC(O)CCC(=O)[O-] MCULE-6831827135 [1,0,0,0,0,0|1,0,2]=4 42 B8R0.9 CCN(C)CCC(=O)O MCULE-2510720087 [1,0,0,0,0,0|3,0,0]=4 43 B8R0.9 CCN(C)CCC(=O)O MCULE-4192684079 [1,0,0,0,0,0|3,0,0]=4 44 B8R0.9 CCS(=O)CCC(=O)O MCULE-4027618720 [1,0,0,0,0,0|2,0,1]=4 45 B8R0.9 CNC(=O)CCC(=O)O MCULE-8340443315 [1,0,0,0,0,0|2,0,1]=4 46 B8R0.9 CNC(=O)NCC(=O)O MCULE-9575946804 [1,0,0,0,0,0|1,0,2]=4 47 B8R0.9 COC(=O)CCC(=O)O MCULE-4083173324 [1,0,0,0,0,0|2,0,1]=4 48 B8R0.9 COC(=O)NCC(=O)O MCULE-3693365728 [1,0,0,0,0,0|1,0,2]=4 49 B8R0.9 NCC(=O)CCC(=O)O MCULE-6371115085 [1,0,0,0,0,0|2,0,1]=4 50 B8R0.9 NCC(=O)CCC(=O)O MCULE-8125179397 [1,0,0,0,0,0|2,0,1]=4 51 B8R0.9 NCC(=O)CCC(=O)O MCULE-8676354165 [1,0,0,0,0,0|2,0,1]=4 52 B8R0.9 NCC(=O)NCC(=O)O MCULE-1239116894 [1,0,0,0,0,0|1,0,2]=4 53 B8R0.9 NCC(=O)NCC(=O)O MCULE-2139302839 [1,0,0,0,0,0|1,0,2]=4 54 B8R0.9 O=C(O)CCC(=O)CBr MCULE-8373387398 [1,0,0,0,0,0|2,0,1]=4 55 B8R0.9 O=C(O)CNC(=O)CCl MCULE-2917654196 [1,0,0,0,0,0|1,0,2]=4 56 B8R0.9 O=C(O)COC(=O)CO MCULE-4022202206 [1,0,0,0,0,0|1,1,1]=4 57 B8R0.28 CC(=CCCC(=O)O)C MCULE-5848388333 [1,0,0,0,0,0|2,0,1]=4 58 B8R0.28 CC(=O)CC=CC(C)C MCULE-1638476368 [1,0,0,0,0,0|3,0,0]=4 59 B8R0.28 CC(C)/C=C/CC(=O)O MCULE-6288178603 [1,0,0,0,0,0|2,0,0]=3 60 B8R0.28 CC(C)C=CCC(=O)O MCULE-1057297040 [1,0,0,0,0,0|2,0,0]=3 61 B8R0.28 CC(C)CCCC(=O)O MCULE-3645348479 [1,0,0,0,0,0|2,0,1]=4 62 B8R0.28 CC(C)CNCC(=O)O MCULE-4695293444 [1,0,0,0,0,0|1,0,2]=4 63 B8R0.28 CC(C)CNCC(=O)O MCULE-9936739681 [1,0,0,0,0,0|1,0,2]=4 64 B8R0.28 CC(C)COCC(=O)O MCULE-8643896966 [1,0,0,0,0,0|2,0,1]=4 65 B8R0.28 CC(C)CSCC(=O)O MCULE-5182400762 [1,0,0,0,0,0|2,0,1]=4 66 B8R0.28 CC(C)NCCC(=O)O MCULE-2087792459 [1,0,0,0,0,0|3,0,0]=4 67 B8R0.28 CC(C)NCCC(=O)O MCULE-6893587807 [1,0,0,0,0,0|3,0,0]=4 68 B8R0.28 CC(C)OCCC(=O)O MCULE-6533666992 [1,0,0,0,0,0|3,0,0]=4 69 B8R0.28 CC(C)SCCC(=O)O MCULE-1434094352 [1,0,0,0,0,0|3,0,0]=4 70 B8R0.28 CC(O)CCCC(=O)O MCULE-6696855762 [1,0,0,0,0,0|1,1,1]=4 71 B10R0.12 CC(C)(C)C(=O)CCC(=O)O MCULE-4165319809 [0,1,0,0,0,0|2,0,1]=4 72 B10R0.12 CC(C)(C)C(=O)NCC(=O)O MCULE-9533520941 [0,1,0,0,0,0|1,0,2]=4 73 B10R0.13 CC(C)C(=O)N(C)CC(=O)O MCULE-5228570863 [0,1,0,0,0,0|1,0,2]=4 74 B10R0.57 CC(CS)C(=O)NCC(=O)O MCULE-4747840264 [0,1,0,0,0,0|0,0,2]=3 75 B10R0.57 CCC(C)C(=O)NCC(=O)O MCULE-9921017610 [0,1,0,0,0,0|1,0,2]=4 76 B10R0.57 CC[C@H](N)C(=O)NCC(=O)O MCULE-4271533887 [0,1,0,0,0,0|1,0,2]=4 77 B10R0.57 CC[C@H](N)C(=O)NCC(=O)O MCULE-5443625025 [0,1,0,0,0,0|1,0,2]=4 78 B10R0.57 NC(CO)C(=O)NCC(=O)O MCULE-5910324391 [0,1,0,0,0,0|1,0,2]=4 79 B10R0.57 NC(CS)C(=O)NCC(=O)O MCULE-5948849786 [0,1,0,0,0,0|1,0,2]=4 80 B10R0.57 N[C@@H](CO)C(=O)NCC(=O)O MCULE-7361409108 [0,1,0,0,0,0|1,0,2]=4 81 B10R0.57 N[C@@H](CO)C(=O)NCC(=O)O MCULE-8884104065 [0,1,0,0,0,0|1,0,2]=4 82 B10R0.57 N[C@@H](CS)C(=O)NCC(=O)O MCULE-1642629130 [0,1,0,0,0,0|1,0,2]=4 83 B10R0.57 N[C@@H](CS)C(=O)NCC(=O)O MCULE-2192958037 [0,1,0,0,0,0|1,0,2]=4 84 B10R0.57 N[C@@H](CS)C(=O)NCC(=O)O MCULE-6747357474 [0,1,0,0,0,0|1,0,2]=4 85 B10R0.57 N[C@@H](CS)C(=O)NCC(=O)O MCULE-6862327950 [0,1,0,0,0,0|1,0,2]=4 86 B10R0.82 COC(=O)CCC(=O)C(C)C MCULE-3109179002 [0,1,0,0,0,0|2,0,1]=4 87 B10R0.82 COC(=O)CNC(=O)C(C)Cl MCULE-8807314662 [0,1,0,0,0,0|1,0,2]=4 88 B10R0.82 COC(=O)CNC(=O)C(C)N MCULE-4620002758 [0,1,0,0,0,0|1,0,2]=4 89 B10R0.82 COC(=O)CNC(=O)C(C)N MCULE-5302066360 [0,1,0,0,0,0|1,0,2]=4 90 B10R0.82 COC(=O)CNC(=O)[C@@H](C)N MCULE-6695409828 [0,1,0,0,0,0|1,0,2]=4 91 B10R0.82 COC(=O)CNC(=O)[C@H](C)N MCULE-3451625389 [0,1,0,0,0,0|1,0,2]=4 92 B10R0.82 COC(=O)CNC(=O)[C@H](C)N MCULE-4969950045 [0,1,0,0,0,0|1,0,2]=4 93 B10R0.82 COC(=O)CNC(=O)[C@H](C)N MCULE-6182077122 [0,1,0,0,0,0|1,0,2]=4 94 B10R0.82 COC(=O)CNC(=O)[C@H](C)N MCULE-8677541317 [0,1,0,0,0,0|1,0,2]=4 95 B10R0.93 CC(Br)C(=O)NC(C)C(=O)O MCULE-5776998717 [0,1,0,0,0,0|1,0,2]=4 96 B10R0.93 CC(C)C(=O)NC(C)C(=O)O MCULE-7533673008 [0,1,0,0,0,0|1,0,2]=4 97 B10R0.93 CC(N)C(=O)NC(C)C(=O)O MCULE-1972648882 [0,1,0,0,0,0|1,0,2]=4 98 B10R0.93 CC(N)C(=O)NC(C)C(=O)O MCULE-6846876953 [0,1,0,0,0,0|1,0,2]=4 99 B10R0.93 CC(N)C(=O)N[C@@H](C)C(=O)O MCULE-7806300704 [0,1,0,0,0,0|1,0,2]=4 100 B10R0.93 C[C@@H](N)C(=O)N[C@H](C)C(=O)O MCULE-5597367680 [0,1,0,0,0,0|1,0,2]=4 101 B10R0.93 C[C@@H](N)C(=O)N[C@H](C)C(=O)O MCULE-6027234054 [0,1,0,0,0,0|1,0,2]=4 102 B10R0.93 C[C@H](N)C(=O)N[C@@H](C)C(=O)O MCULE-2220868390 [0,1,0,0,0,0|1,0,2]=4 103 B10R0.93 C[C@H](N)C(=O)N[C@@H](C)C(=O)O MCULE-2503008110 [0,1,0,0,0,0|1,0,2]=4 104 B10R0.93 C[C@H](N)C(=O)N[C@@H](C)C(=O)O MCULE-8018547281 [0,1,0,0,0,0|1,0,2]=4 105 B10R0.93 C[C@H](N)C(=O)N[C@H](C)C(=O)O MCULE-2994958309 [0,1,0,0,0,0|1,0,2]=4 106 B10R0.93 C[C@H](N)C(=O)N[C@H](C)C(=O)O MCULE-3549079785 [0,1,0,0,0,0|1,0,2]=4 107 B10R0.93 C[C@H](NC(=O)[C@@H](C)N)C(=O)O MCULE-2475563370 [0,1,0,0,0,0|1,0,2]=4 108 B10R0.93 C[C@H](NC(=O)[C@@H](C)N)C(=O)O MCULE-8669956136 [0,1,0,0,0,0|1,0,2]=4 109 B10R0.93 C[C@H](NC(=O)[C@@H](C)N)C(=O)O MCULE-9750099590 [0,1,0,0,0,0|1,0,2]=4 110 B10R1.58 CC1=C(N=C(S1)C(=O)O)O MCULE-6548303130 [0,0,0,1,0,0|0,0,2]=3 111 B10R1.58 CC1=C(SC(=N1)C(=O)O)C MCULE-7541880664 [0,0,0,1,0,0|1,0,2]=4 112 B10R1.58 CN1N=C(N=C1O)C(=O)O MCULE-5117908815 [0,0,0,1,0,0|2,0,1]=4 113 B10R1.58 N[C@@H]1C[C@@H](C[C@H]1O)C(=O)O MCULE-2019095795 [0,0,0,1,0,0|2,0,1]=4 114 B10R1.58 N[C@@H]1C[C@@H](C[C@H]1O)C(=O)O MCULE-7012514700 [0,0,0,1,0,0|2,0,1]=4 115 B10R1.58 O=C(O)[C@@H]1C[C@H](C(=O)N1)F MCULE-3594620408 [0,0,0,1,0,0|1,0,2]=4 116 B10R1.58 O=C(O)[C@@H]1C[C@H](C(=O)N1)F MCULE-7616817872 [0,0,0,1,0,0|1,0,2]=4 117 B10R1.58 O=C1NC(CC1F)C(=O)O MCULE-5782471146 [0,0,0,1,0,0|1,0,2]=4 118 B10R1.58 O=C1N[C@@H](C[C@@H]1F)C(=O)O MCULE-5667846232 [0,0,0,1,0,0|1,0,2]=4 119 B10R1.58 O=C1N[C@@H](C[C@@H]1F)C(=O)O MCULE-8319847079 [0,0,0,1,0,0|1,0,2]=4 120 B10R1.83 CC1(C(=O)CC1C(=O)O)C MCULE-8654161103 [0,0,0,1,0,0|2,0,1]=4 121 B10R1.83 CC1(C(=O)C[C@@H]1C(=O)O)C MCULE-2127863353 [0,0,0,1,0,0|2,0,1]=4 122 B10R1.120 CC1=NNC(=O)OC1(C)C MCULE-6970258124 [0,0,0,1,0,0|3,0,0]=4 123 B10R1.211 O=C(O)CCC(=O)C1CC1 MCULE-1941504047 [0,0,0,1,0,0|2,0,1]=4 124 B10R1.211 O=C(O)CNC(=O)C1CC1 MCULE-5686127172 [0,0,0,1,0,0|1,0,2]=4 125 B8R0.23 C=C(C)[C@@H](O)CC(=O)O MCULE-9399932923 [0,0,0,0,1,0|1,0,2]=4 126 B8R0.23 CC(=CC(=O)O)C(C)C MCULE-3448393194 [0,0,0,0,1,0|2,0,1]=4 127 B8R0.23 CC(=O)CC(=O)C(C)C MCULE-9885161576 [0,0,0,0,1,0|2,0,1]=4 128 B8R0.23 CC(=O)CC(O)[C@H](C)N MCULE-3417979643 [0,0,0,0,1,0|2,0,1]=4 129 B8R0.23 CC(C)C(=O)CC(=O)O MCULE-9781100715 [0,0,0,0,1,0|1,0,1]=3 130 B8R0.23 CC(C)C(=O)CC(=O)[O-] MCULE-3398588107 [0,0,0,0,1,0|1,0,2]=4 131 B8R0.23 CC(C)C(C)CC(=O)O MCULE-8256978568 [0,0,0,0,1,0|2,0,1]=4 132 B8R0.23 CC(C)C(N)CC(=O)O MCULE-1591106639 [0,0,0,0,1,0|2,0,1]=4 133 B8R0.23 CC(C)C(N)CC(=O)O MCULE-2785677086 [0,0,0,0,1,0|2,0,1]=4 134 B8R0.23 CC(C)C(N)CC(=O)O MCULE-7741390676 [0,0,0,0,1,0|2,0,1]=4 135 B8R0.23 CC(C)C(N)CC(=O)O MCULE-7820976140 [0,0,0,0,1,0|2,0,1]=4 136 B8R0.23 CC(C)C(O)CC(=O)O MCULE-2577623422 [0,0,0,0,1,0|1,0,1]=3 137 B8R0.23 CC(C)N(C)CC(=O)O MCULE-7118433089 [0,0,0,0,1,0|3,0,0]=4 138 B8R0.23 CC(C)N(C)CC(=O)O MCULE-8801372857 [0,0,0,0,1,0|3,0,0]=4 139 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-4128027229 [0,0,0,0,1,0|2,0,1]=4 140 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-5111030586 [0,0,0,0,1,0|2,0,1]=4 141 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-7447469347 [0,0,0,0,1,0|2,0,1]=4 142 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-8228659608 [0,0,0,0,1,0|2,0,1]=4 143 B8R0.23 CC(C)[C@@H](O)CC(=O)O MCULE-6946774834 [0,0,0,0,1,0|1,0,1]=3 144 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-2362404476 [0,0,0,0,1,0|2,0,1]=4 145 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-4006103633 [0,0,0,0,1,0|2,0,1]=4 146 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-8085621397 [0,0,0,0,1,0|2,0,1]=4 147 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-8783742568 [0,0,0,0,1,0|2,0,1]=4 148 B8R0.23 CC(O)C(N)CC(=O)O MCULE-5161755443 [0,0,0,0,1,0|1,1,1]=4 149 B8R0.23 CC(O)C(N)CC(=O)O MCULE-6370326858 [0,0,0,0,1,0|1,1,1]=4 150 B8R0.23 CN(C)C(=O)CC(=O)O MCULE-6715213324 [0,0,0,0,1,0|2,0,1]=4 151 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-1416044737 [0,0,0,0,1,0|1,1,1]=4 152 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-2990511228 [0,0,0,0,1,0|1,1,1]=4 153 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-3178455647 [0,0,0,0,1,0|1,1,1]=4 154 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-4413833682 [0,0,0,0,1,0|1,1,1]=4 155 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-7332826518 [0,0,0,0,1,0|1,1,1]=4 156 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-7552978009 [0,0,0,0,1,0|1,1,1]=4 157 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O MCULE-8673070329 [0,0,0,0,1,0|1,1,1]=4 158 B8R0.23 O=C(O)CC(=O)C(F)F MCULE-6579310267 [0,0,0,0,1,0|2,0,1]=4 159 B10R0.96 CC(C)CC(=O)NCC(=O)O MCULE-8338157738 [0,0,0,0,0,1|1,0,2]=4 160 B10R0.96 CC(C)NC(=O)CCC(=O)O MCULE-6515821068 [0,0,0,0,0,1|2,0,1]=4 161 B10R0.96 CC(C)NC(=O)NCC(=O)O MCULE-6956868357 [0,0,0,0,0,1|1,0,2]=4 162 B10R0.96 CC(C)OC(=O)CCC(=O)O MCULE-2914075826 [0,0,0,0,0,1|2,0,1]=4 163 B10R0.98 CC(C)C(=O)CCCC(=O)O MCULE-1233637144 [0,0,0,0,0,1|2,0,1]=4 164 B10R0.98 CC(C)C(=O)NCCC(=O)O MCULE-1444181499 [0,0,0,0,0,1|1,0,2]=4 165 B10R0.98 C[C@H](N)C(=O)NCCC(=O)O MCULE-5592804189 [0,0,0,0,0,1|1,0,2]=4 166 B7R0.4 C(=C/CC(=O)O)\CC MCULE-2731794411 [2,0,0,0,0,0|1,0,0]=3 167 B7R0.4 CC=CCCC(=O)O MCULE-4275247668 [2,0,0,0,0,0|1,0,1]=4 168 B7R0.4 CCC=CCC(=O)O MCULE-5031939966 [2,0,0,0,0,0|1,0,0]=3 169 B7R0.4 CCCCCC(=O)O MCULE-1671810139 [2,0,0,0,0,0|1,0,1]=4 170 B7R0.4 CCCNCC(=O)O MCULE-4384128915 [2,0,0,0,0,0|0,0,2]=4 171 B7R0.4 CCCNCC(=O)O MCULE-7537317046 [2,0,0,0,0,0|0,0,2]=4 172 B7R0.4 CCCOCC(=O)O MCULE-6841640058 [2,0,0,0,0,0|1,0,1]=4 173 B7R0.4 CCCSCC(=O)O MCULE-7463688573 [2,0,0,0,0,0|1,0,1]=4 174 B7R0.4 CCNCCC(=O)O MCULE-4226597657 [2,0,0,0,0,0|2,0,0]=4 175 B7R0.4 CCNCCC(=O)O MCULE-9183951914 [2,0,0,0,0,0|2,0,0]=4 176 B7R0.4 CCOCCC(=O)O MCULE-3962084059 [2,0,0,0,0,0|2,0,0]=4 177 B7R0.4 CCSCCC(=O)O MCULE-9385724904 [2,0,0,0,0,0|2,0,0]=4 178 B7R0.4 O=C(O)CCCCS MCULE-2427465795 [2,0,0,0,0,0|1,0,1]=4 179 B7R0.6 C=C(C)CCC(=O)O MCULE-8738532812 [2,0,0,0,0,0|2,0,0]=4 180 B7R0.6 C=C(C)NCC(=O)O MCULE-6347105994 [2,0,0,0,0,0|1,0,1]=4 181 B7R0.6 CC(=CCC(=O)O)C MCULE-2552993418 [2,0,0,0,0,0|2,0,0]=4 182 B7R0.6 CC(=O)CCC(=O)O MCULE-1392778065 [2,0,0,0,0,0|1,0,1]=4 183 B7R0.6 CC(=O)NCC(=O)O MCULE-5811325186 [2,0,0,0,0,0|0,0,2]=4 184 B7R0.6 CC(=O)OCC(=O)O MCULE-6837320824 [2,0,0,0,0,0|1,0,1]=4 185 B7R0.6 CC(=O)SCC(=O)O MCULE-1974657694 [2,0,0,0,0,0|1,0,1]=4 186 B7R0.6 CC(=S)NCC(=O)O MCULE-9052571833 [2,0,0,0,0,0|0,1,1]=4 187 B7R0.6 CC(O)CCC(=O)O MCULE-6352217997 [2,0,0,0,0,0|1,0,1]=4 188 B7R0.6 O=C(O)CCC(=O)O MCULE-1233211613 [2,0,0,0,0,0|1,1,0]=4 189 B7R0.6 O=C(O)CCC(=O)O MCULE-5889111640 [2,0,0,0,0,0|1,1,0]=4 190 B7R0.6 O=C(O)N=NC(=O)O MCULE-6858626658 [2,0,0,0,0,0|1,1,0]=4 191 B9R0.23 CCC(=O)N(C)CC(=O)O MCULE-1259899510 [1,1,0,0,0,0|0,0,2]=4 192 B9R0.24 CCC(=O)CCC(=O)OC MCULE-9090609782 [1,1,0,0,0,0|1,0,1]=4 193 B9R0.48 CCCC(=O)CCC(=O)O MCULE-4809633073 [1,1,0,0,0,0|1,0,1]=4 194 B9R0.48 CCCC(=O)NCC(=O)O MCULE-1331310812 [1,1,0,0,0,0|0,0,2]=4 195 B9R0.48 CCNC(=O)CCC(=O)O MCULE-1979773964 [1,1,0,0,0,0|1,0,1]=4 196 B9R0.48 CCNC(=S)NCC(=O)O MCULE-3996581742 [1,1,0,0,0,0|0,1,1]=4 197 B9R0.48 CCOC(=O)CCC(=O)O MCULE-4329005000 [1,1,0,0,0,0|1,0,1]=4 198 B9R0.48 CCOC(=O)NCC(=O)O MCULE-6050328577 [1,1,0,0,0,0|0,0,2]=4 199 B9R0.48 CCOC(=S)SCC(=O)O MCULE-8546838454 [1,1,0,0,0,0|1,1,0]=4 200 B9R0.48 COCC(=O)NCC(=O)O MCULE-2679622476 [1,1,0,0,0,0|0,0,2]=4 201 B9R0.48 NCCC(=O)NCC(=O)O MCULE-4396558835 [1,1,0,0,0,0|0,0,2]=4 202 B9R0.48 NCCC(=O)NCC(=O)O MCULE-9256160395 [1,1,0,0,0,0|0,0,2]=4 203 B9R0.79 CC(C)C(O)C(N)C(=O)O MCULE-8766263714 [0,1,0,0,1,0|1,0,1]=4 204 B9R0.79 CC(C)C(O)[C@H](N)C(=O)O MCULE-5332720895 [0,1,0,0,1,0|1,0,1]=4 205 B9R0.79 CC(C)[C@@H](O)[C@@H](C)C(=O)O MCULE-5667397461 [0,1,0,0,1,0|1,0,1]=4 206 B9R0.79 CC(C)[C@@H](O)[C@@H](N)C(=O)O MCULE-2425417830 [0,1,0,0,1,0|1,0,1]=4 207 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O MCULE-5438285037 [0,1,0,0,1,0|1,0,1]=4 208 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O MCULE-6278820254 [0,1,0,0,1,0|1,0,1]=4 209 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O MCULE-7542741263 [0,1,0,0,1,0|1,0,1]=4 210 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O MCULE-8101644962 [0,1,0,0,1,0|1,0,1]=4 211 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O MCULE-6429723072 [0,1,0,0,1,0|1,0,1]=4 212 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O MCULE-8455636907 [0,1,0,0,1,0|1,0,1]=4 213 B9R0.79 CC(C)[C@H](O)[C@H](N)C(=O)O MCULE-9657202987 [0,1,0,0,1,0|1,0,1]=4 214 B9R0.79 CC(C)[C@H](O)[C@H](N)C(=O)O MCULE-9762128000 [0,1,0,0,1,0|1,0,1]=4 215 B9R1.35 CC(C)C1=NNC(=O)O1 MCULE-3128321164 [1,0,0,1,0,0|2,0,0]=4 216 B9R1.147 O=C(O)CCC1(CC1)O MCULE-2890628610 [1,0,0,1,0,0|1,0,1]=4 217 B9R1.38 CC1(OC(=O)C=C1O)C MCULE-8125069507 [0,0,0,1,1,0|1,0,1]=4 218 B9R1.38 CC1(OC(=O)CC1=O)C MCULE-9824471420 [0,0,0,1,1,0|1,0,1]=4 219 B9R1.38 CC1(OC(=O)N=C1N)C MCULE-1911233295 [0,0,0,1,1,0|2,0,0]=4 220 B9R1.137 O=C(O)CC(=O)C1CC1 MCULE-2843513529 [0,0,0,1,1,0|1,0,1]=4 221 B11R1.80 CC1=C(SC(=N1)CC(=O)O)C MCULE-8378279081 [0,0,0,1,0,1|1,0,1]=4 222 B11R1.175 CC(C)C1=NN=C(O1)C(=O)O MCULE-2374409439 [0,0,0,1,0,1|1,0,1]=4 223 B11R1.175 CC(C)C1=NOC(C1)C(=O)O MCULE-6520291186 [0,0,0,1,0,1|2,0,0]=4 224 B7R0.2 C(O)(CN)CC(=O)O MCULE-8378388788 [1,0,0,0,1,0|1,0,1]=4 225 B7R0.2 CCC(=CC(=O)O)C MCULE-3864767099 [1,0,0,0,1,0|1,0,1]=4 226 B7R0.2 CCC(=O)CC(=O)C MCULE-1892470405 [1,0,0,0,1,0|1,0,1]=4 227 B7R0.2 CCC(=O)CC(=O)O MCULE-1083768149 [1,0,0,0,1,0|0,0,1]=3 228 B7R0.2 CCC(C)CC(=O)O MCULE-3409782202 [1,0,0,0,1,0|1,0,1]=4 229 B7R0.2 CCC(C)CC(=O)O MCULE-6537278030 [1,0,0,0,1,0|1,0,1]=4 230 B7R0.2 CCC(N)CC(=O)O MCULE-1744910444 [1,0,0,0,1,0|1,0,1]=4 231 B7R0.2 CCC(N)CC(=O)O MCULE-5610499925 [1,0,0,0,1,0|1,0,1]=4 232 B7R0.2 CCC(O)CC(=O)C MCULE-1222748729 [1,0,0,0,1,0|1,0,1]=4 233 B7R0.2 CCC(O)CC(=O)O MCULE-4663578527 [1,0,0,0,1,0|0,0,1]=3 234 B7R0.2 CCN(C)CC(=O)O MCULE-3102395413 [1,0,0,0,1,0|2,0,0]=4 235 B7R0.2 CCS(=O)CC(=O)O MCULE-5648298475 [1,0,0,0,1,0|1,0,1]=4 236 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-5550070887 [1,0,0,0,1,0|1,0,1]=4 237 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-9572363620 [1,0,0,0,1,0|1,0,1]=4 238 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-1158271004 [1,0,0,0,1,0|1,0,1]=4 239 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-2354820947 [1,0,0,0,1,0|1,0,1]=4 240 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-4284161835 [1,0,0,0,1,0|1,0,1]=4 241 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-9523089766 [1,0,0,0,1,0|1,0,1]=4 242 B7R0.2 CC[C@H](C)CC(=O)O MCULE-4177365854 [1,0,0,0,1,0|1,0,1]=4 243 B7R0.2 CC[C@H](C)CC(=O)O MCULE-5173108207 [1,0,0,0,1,0|1,0,1]=4 244 B7R0.2 CC[C@H](N)CC(=O)O MCULE-1463536674 [1,0,0,0,1,0|1,0,1]=4 245 B7R0.2 CC[C@H](N)CC(=O)O MCULE-2865599647 [1,0,0,0,1,0|1,0,1]=4 246 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4506847599 [1,0,0,0,1,0|1,0,1]=4 247 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4819674539 [1,0,0,0,1,0|1,0,1]=4 248 B7R0.2 CNC(=O)CC(=O)O MCULE-3506871336 [1,0,0,0,1,0|1,0,1]=4 249 B7R0.2 COC(=O)CC(=O)O MCULE-7983457925 [1,0,0,0,1,0|1,0,1]=4 250 B7R0.2 NCC(O)CC(=O)O MCULE-9221352157 [1,0,0,0,1,0|1,0,1]=4 251 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-2174350055 [1,0,0,0,1,0|1,0,1]=4 252 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-8177708130 [1,0,0,0,1,0|1,0,1]=4 253 B7R0.2 NC[C@H](O)CC(=O)O MCULE-6634973995 [1,0,0,0,1,0|1,0,1]=4 254 B7R0.2 NC[C@H](O)CC(=O)O MCULE-8055679819 [1,0,0,0,1,0|1,0,1]=4 255 B7R0.2 O=C(O)CC(=O)CCl MCULE-9671015150 [1,0,0,0,1,0|1,0,1]=4 256 B7R0.2 O=C(O)CC(=O)CO MCULE-2224143705 [1,0,0,0,1,0|0,1,1]=4 257 B7R0.2 O=C(O)CC(O)CO MCULE-2851149196 [1,0,0,0,1,0|0,1,1]=4 258 B7R0.2 O=C(O)C[C@H](O)CO MCULE-5671818548 [1,0,0,0,1,0|0,1,1]=4 259 B7R0.16 C=C(C(=O)O)C(C)C MCULE-6667026437 [0,0,0,0,2,0|2,0,0]=4 260 B7R0.16 CC(Br)C(O)C(=O)O MCULE-8231714451 [0,0,0,0,2,0|1,0,1]=4 261 B7R0.16 CC(C)C(=O)C(=O)O MCULE-9877767821 [0,0,0,0,2,0|1,0,1]=4 262 B7R0.16 CC(C)C(O)C(=O)O MCULE-6517225229 [0,0,0,0,2,0|1,0,1]=4 263 B7R0.16 CC(C)C(O)C(=O)O MCULE-7748605101 [0,0,0,0,2,0|1,0,1]=4 264 B7R0.16 CC(C)[C@@H](O)C(=O)O MCULE-7719048521 [0,0,0,0,2,0|1,0,1]=4 265 B7R0.16 CC(C)[C@@H](O)C(=O)O MCULE-9864796653 [0,0,0,0,2,0|1,0,1]=4 266 B7R0.16 CC(C)[C@H](O)C(=O)O MCULE-1975771806 [0,0,0,0,2,0|1,0,1]=4 267 B7R0.16 CC(C)[C@H](O)C(=O)O MCULE-4070611738 [0,0,0,0,2,0|1,0,1]=4 268 B7R0.16 CC(N)C(O)C(=O)O MCULE-1086139043 [0,0,0,0,2,0|1,0,1]=4 269 B7R0.16 CC(N)C(O)C(=O)O MCULE-6405300346 [0,0,0,0,2,0|1,0,1]=4 270 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O MCULE-9383777855 [0,0,0,0,2,0|0,1,1]=4 271 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-2574349608 [0,0,0,0,2,0|1,0,1]=4 272 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-6297204649 [0,0,0,0,2,0|1,0,1]=4 273 B9R0.55 CC(C)C=CCCC(=O)O MCULE-4916288990 [1,0,0,0,0,1|2,0,0]=4