0 B6R0.3 CCN(C)C(=O)C ad9227383f4996d412a5ced11e9c5417 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.3 CCN(C)C=O 60ddb02da2ac3e0bbf46f02c328ae40d [1,0,0,0,0,0|1,0,1]=3 2 B5R0.3 CCN(C)CO 992ae963459eb3513b2ca42228fd2ef7 [1,0,0,0,0,0|1,0,2]=4 3 B7R0.5 C=CCN(C)C(=O)C 77714e98bf9639848b13a6be6674f5f4 [0,1,0,0,0,0|2,0,1]=4 4 B7R0.5 CC(=O)C(C)OCF 7c6a7a2752d146ccb367c2a6ec272a5d [0,1,0,0,0,0|2,0,1]=4 5 B7R0.5 CC(=O)N(C)CCF 4c9e9e2bb017d5fcf5d5113705af3b65 [0,1,0,0,0,0|2,0,1]=4 6 B7R0.5 CC(=O)N(C)CCO ba457e3be79fea19f791558c60ef2a77 [0,1,0,0,0,0|2,0,1]=4 7 B7R0.5 CC(NC#N)C(=O)O 392de9697c4a5dcddc67adbe8abaabb3 [0,1,0,0,0,0|1,0,2]=4 8 B7R0.5 CC(NC=O)C(=O)N 46e3df0da90011f803541e030709e2d3 [0,1,0,0,0,0|2,0,1]=4 9 B7R0.5 CC(NCF)C(=O)N f0a5cc6cd244223372790316f7e61f94 [0,1,0,0,0,0|2,0,1]=4 10 B7R0.5 CC(NCF)C(=O)O 678d57d218e04263cf06f7d55d31cd1d [0,1,0,0,0,0|1,0,1]=3 11 B7R0.5 CC(NCO)C(=O)N f8080c17d94f9bd121a85d094899f029 [0,1,0,0,0,0|2,0,1]=4 12 B7R0.5 CC(NCO)C(=O)O fe4a7856b889669392c300fb3cd4873c [0,1,0,0,0,0|1,0,1]=3 13 B7R0.5 CC(OCF)C(=O)N 6a877ba17ca7a0aa924ab8a787d3d31c [0,1,0,0,0,0|2,0,1]=4 14 B7R0.5 CC(OCF)C(=O)O 98938b6366d5b1644ffb60bc89cae3d5 [0,1,0,0,0,0|1,0,1]=3 15 B7R0.5 CCCN(C)C(=O)C 2d9bc06e064dcb0b82800ab570f2482e [0,1,0,0,0,0|2,0,1]=4 16 B7R0.5 CCNC(C)C(=O)N 7d9101ed45213ee882e4c1680fbf78d8 [0,1,0,0,0,0|1,0,2]=4 17 B7R0.5 CCNC(C)C(=O)O a9b19181316f90f96751c71a39f085a0 [0,1,0,0,0,0|0,0,2]=3 18 B7R0.5 CCNC(O)C(=O)O e57bdce4aa01317f2f019ff8528e5629 [0,1,0,0,0,0|1,0,2]=4 19 B7R0.5 CCN[C@@H](C)C(=O)N d3ef0fda784c6fd3be35dd07570fe081 [0,1,0,0,0,0|1,0,2]=4 20 B7R0.5 CCN[C@@H](C)C(=O)O fcc04b18ffb8702755c5613065d53d85 [0,1,0,0,0,0|0,0,2]=3 21 B7R0.5 CCN[C@H](C)C(=O)N ced1ae1ac0990c4f7a1ff4ddde70a04d [0,1,0,0,0,0|1,0,2]=4 22 B7R0.5 CCN[C@H](C)C(=O)O 461a17ce9e067f5c1d30933bc07d8775 [0,1,0,0,0,0|0,0,2]=3 23 B7R0.5 CCOC(C)C(=O)C 04432572fe22b740e86ca5259d0a3bbf [0,1,0,0,0,0|1,0,2]=4 24 B7R0.5 CCOC(C)C(=O)N 3ce53fe24b247e6bbc8d0161ba8adc8b [0,1,0,0,0,0|1,0,2]=4 25 B7R0.5 CCOC(C)C(=O)O 1968a3bf4eb23bbce80f27001c40e3aa [0,1,0,0,0,0|0,0,2]=3 26 B7R0.5 CCO[C@@H](C)C(=O)N 886b096e99d61dadf66cd020bfb7d1de [0,1,0,0,0,0|1,0,2]=4 27 B7R0.5 CCO[C@@H](C)C(=O)O f2b03ca68b0ab7d2700716b8fff09b6d [0,1,0,0,0,0|0,0,2]=3 28 B7R0.5 CCO[C@H](C)C(=O)N 8689cd95b03a5d9ff73691cd92fc4b07 [0,1,0,0,0,0|1,0,2]=4 29 B7R0.5 CCO[C@H](C)C(=O)O 156314018bee2c048aecc9ba30245a68 [0,1,0,0,0,0|0,0,2]=3 30 B7R0.5 C[C@@H](NC#N)C(=O)O e0e1898c2dc69a65dfbe178be463caf4 [0,1,0,0,0,0|1,0,2]=4 31 B7R0.5 C[C@@H](NC=O)C(=O)N b3f27251f3a1b388bbd3114e372f5d22 [0,1,0,0,0,0|2,0,1]=4 32 B7R0.5 C[C@@H](NCF)C(=O)N fc8e15aaec185b1ab510ce9a3e07d389 [0,1,0,0,0,0|2,0,1]=4 33 B7R0.5 C[C@@H](NCF)C(=O)O 17fa37c81497338871dce635035053b9 [0,1,0,0,0,0|1,0,1]=3 34 B7R0.5 C[C@@H](NCO)C(=O)N 40aeb7a188f95caf183e4558e0c9a7d0 [0,1,0,0,0,0|2,0,1]=4 35 B7R0.5 C[C@@H](NCO)C(=O)O a97b9962f90d67259e383605fc714644 [0,1,0,0,0,0|1,0,1]=3 36 B7R0.5 C[C@@H](OCF)C(=O)N a8a242c6e5e7f1df942e8a00c665aaa2 [0,1,0,0,0,0|2,0,1]=4 37 B7R0.5 C[C@@H](OCF)C(=O)O eca3562769119aefebca30b8cb46ef3d [0,1,0,0,0,0|1,0,1]=3 38 B7R0.5 C[C@H](NC#N)C(=O)O 001f1128fc667ba9af909598a06ab98b [0,1,0,0,0,0|1,0,2]=4 39 B7R0.5 C[C@H](NC=O)C(=O)N 16bf5f670688c6b3e99af2484506540e [0,1,0,0,0,0|2,0,1]=4 40 B7R0.5 C[C@H](NCF)C(=O)N ec9ad2764694c43582e2759286389cce [0,1,0,0,0,0|2,0,1]=4 41 B7R0.5 C[C@H](NCF)C(=O)O 8f95fb8302879a9840726de50eb63034 [0,1,0,0,0,0|1,0,1]=3 42 B7R0.5 C[C@H](NCO)C(=O)N e220146cab979067711359ee78003370 [0,1,0,0,0,0|2,0,1]=4 43 B7R0.5 C[C@H](NCO)C(=O)O 22dff04db3c7b130eddc4a545a3e505d [0,1,0,0,0,0|1,0,1]=3 44 B7R0.5 C[C@H](OCF)C(=O)N cc20e1724629715f568aafa6de2ccb26 [0,1,0,0,0,0|2,0,1]=4 45 B7R0.5 C[C@H](OCF)C(=O)O 3b1dcb29a34b79a18541896ae618cad0 [0,1,0,0,0,0|1,0,1]=3 46 B7R0.5 O=C(O)C(O)NCF debbdbf9e1d3d8838357ca1b62835c9a [0,1,0,0,0,0|2,0,1]=4 47 B7R0.5 O=C(O)C(O)NCO 6aca03582d286fba98508921a1d70ae3 [0,1,0,0,0,0|2,0,1]=4 48 B7R0.10 C#CC(=O)N(C)CC 4f67029623c6e5ee152bff61a129616e [0,1,0,0,0,0|2,0,1]=4 49 B7R0.10 C=CC(=O)N(C)CC 5cdce1a1cd893d8ab1284f8177670f55 [0,1,0,0,0,0|2,0,1]=4 50 B7R0.10 CCC(=O)N(C)CC 307c98a15c6ddf11013971017d018a3f [0,1,0,0,0,0|2,0,1]=4 51 B7R0.10 CCN(C)C(=O)C=O db5732fec82020b1e06387d47e0f63dc [0,1,0,0,0,0|1,0,2]=4 52 B7R0.10 CCN(C)C(=O)CF 54aaf1a54644f658afd3f400769d8763 [0,1,0,0,0,0|2,0,1]=4 53 B7R0.10 CCN(C)C(=O)CO ed09d31f2cea5da5288bffcd06a685cb [0,1,0,0,0,0|1,0,1]=3 54 B7R0.10 CCN(C)C(=O)CS 733bcf40a4acbb7ca1e0cf3589cee1e7 [0,1,0,0,0,0|1,1,1]=4 55 B7R0.16 CC(=O)N(C)C(C)C 68e786e7c5c4f60e8b7c36108316ab9e [0,1,0,0,0,0|2,0,1]=4 56 B7R1.18 CC(=O)N1CCC1 8143f596a7f046e54d5db8a61549ab26 [0,0,0,1,0,0|2,0,1]=4 57 B7R0.2 C=CC(C)NC(=O)C da0f45e746fe5ddfb85b752dba1a7d5c [0,0,0,0,0,1|1,0,2]=4 58 B7R0.2 CCC(C)NC(=O)C d52a9bb324dcdb60d53e4e9e2013cb50 [0,0,0,0,0,1|1,0,2]=4 59 B7R0.2 CCN(C)CC(=O)N 58c4f2962e11e395e9dd8c9fccee33dd [0,0,0,0,0,1|2,0,1]=4 60 B7R0.2 CCN(C)CC(=O)O ed00a192e609f5d5786e1c989c44eb8f [0,0,0,0,0,1|1,0,1]=3 61 B7R0.2 CC[C@@H](C)NC(=O)C c6d5d80303dcfd2ae6eb945ac41b31c0 [0,0,0,0,0,1|1,0,2]=4 62 B7R0.2 CC[C@H](C)NC(=O)C 96d2ad332d2a7d6643a2730e644df4f3 [0,0,0,0,0,1|1,0,2]=4 63 B7R0.2 CN(C=O)CC(=O)N 647b1daaec1cafb5c97dc5a4d13d2291 [0,0,0,0,0,1|3,0,0]=4 64 B7R0.2 CN(CF)CC(=O)O 7d1eb1d71c500640f6029a70869bff49 [0,0,0,0,0,1|2,0,1]=4 65 B7R0.2 CN(CO)CC(=O)O e8788fe9a5132c43f9e5136dbe3278ce [0,0,0,0,0,1|2,0,1]=4 66 B6R0.4 CCNCC(=O)O 4ff54ca579c6d0dc364629f4b9806db8 [1,1,0,0,0,0|0,0,2]=4 67 B6R0.4 CCOCC(=O)O ebe16b0612391447f19756491b2bd7a3 [1,1,0,0,0,0|0,0,2]=4 68 B6R0.4 O=C(O)CNCF d8e91f69db1ad3140a3502718cd0d10f [1,1,0,0,0,0|1,0,1]=4 69 B6R0.4 O=C(O)CNCO 03950869097643d435459ad5a0985e95 [1,1,0,0,0,0|1,0,1]=4 70 B6R0.4 O=C(O)COCF 7c32fa44d83e7ce6c73842137b12fe20 [1,1,0,0,0,0|1,0,1]=4 71 B8R0.2 CCN(C)C(C)C(=O)O 6f2a7033474106426aec9bd9ed3b37aa [0,1,0,0,0,1|1,0,1]=4 72 B8R0.2 CCN(C)[C@@H](C)C(=O)O ccda40b7947e3ec868172b2d11a39e32 [0,1,0,0,0,1|1,0,1]=4 73 B8R0.2 CCN(C)[C@H](C)C(=O)O a423cd91a719c568f85e9128b6162ae1 [0,1,0,0,0,1|1,0,1]=4 74 B8R0.5 C=CCN(C)CC(=O)O 7ee8ca05079b6f72d0f00781a2b17cdf [0,1,0,0,0,1|1,0,1]=4 75 B8R0.5 CC(CC(=O)O)NCF 84d4be16e4ac304aaa68ed4d36823324 [0,1,0,0,0,1|1,0,1]=4 76 B8R0.5 CC(CC(=O)O)NCO 10996b09f91fab84edb45bd9880e2318 [0,1,0,0,0,1|1,0,1]=4 77 B8R0.5 CC(CC(=O)O)OCF 14e16352da0b978e8e37b50cbc803026 [0,1,0,0,0,1|1,0,1]=4 78 B8R0.5 CCCN(C)CC(=O)O afce971a9549e09777d29f9620e7b765 [0,1,0,0,0,1|1,0,1]=4 79 B8R0.5 CCNC(C)CC(=O)O 29ac9bd89e468a34801bb550215ba942 [0,1,0,0,0,1|0,0,2]=4 80 B8R0.5 CCN[C@@H](C)CC(=O)O 40a529d5929c8901c8f2b9599ed898cd [0,1,0,0,0,1|0,0,2]=4 81 B8R0.5 CCN[C@H](C)CC(=O)O 2f28d4f7bc57f1ad1bf5a4eebcdf11f3 [0,1,0,0,0,1|0,0,2]=4 82 B8R0.5 CCOC(C)CC(=O)O 20f52735b4f115013d658aa30fd851a1 [0,1,0,0,0,1|0,0,2]=4 83 B8R0.5 CCO[C@@H](C)CC(=O)O 2297bbd28bfec2b7a3315f1a1eca242e [0,1,0,0,0,1|0,0,2]=4 84 B8R0.5 CCO[C@H](C)CC(=O)O ccc8e46cafa360247330bb81a3001d13 [0,1,0,0,0,1|0,0,2]=4 85 B8R0.5 CN(CC=O)CC(=O)O 4f16c2423e66def517d0d42510089596 [0,1,0,0,0,1|2,0,0]=4 86 B8R0.5 CN(CCF)CC(=O)O 378a586b4ce9b0291e7e9d64e15c1748 [0,1,0,0,0,1|1,0,1]=4 87 B8R0.5 CN(CCO)CC(=O)O e22eedcab85615a7cb9a01481995f5a1 [0,1,0,0,0,1|1,0,1]=4 88 B8R0.5 CN(CCS)CC(=O)O 20a126cdeaa5b2f572a540b4b00dcdb8 [0,1,0,0,0,1|1,0,1]=4 89 B8R0.5 COCN(C)CC(=O)O 38182438be3a4fb938d35352c6bcaa17 [0,1,0,0,0,1|1,0,1]=4 90 B8R0.5 CSCN(C)CC(=O)O f4126c72edd8ab40e4f0e1149e0c0772 [0,1,0,0,0,1|1,0,1]=4 91 B8R0.5 C[C@@H](CC(=O)O)NCF 7b4409b263377324cee992cead4d4496 [0,1,0,0,0,1|1,0,1]=4 92 B8R0.5 C[C@@H](CC(=O)O)NCO 6f9af837429cbf13d74a82abb33116db [0,1,0,0,0,1|1,0,1]=4 93 B8R0.5 C[C@@H](CC(=O)O)OCF 3a1dfbb8c5aec4e4079809a87b6b3981 [0,1,0,0,0,1|1,0,1]=4 94 B8R0.5 C[C@H](CC(=O)O)NCF 6a82f1327e74ba81c2a6e57eb4cb9aac [0,1,0,0,0,1|1,0,1]=4 95 B8R0.5 C[C@H](CC(=O)O)NCO 3ee6882c6b18b0aec7272fad595282f5 [0,1,0,0,0,1|1,0,1]=4 96 B8R0.5 C[C@H](CC(=O)O)OCF 913e08b306bc95c6771408b42aad5ed2 [0,1,0,0,0,1|1,0,1]=4 97 B8R0.16 CCN(CC)CC(=O)O 6fed7892c18c8ce9f89dfe191b146fca [0,1,0,0,0,1|1,0,1]=4 98 B8R0.16 CCN(CF)CC(=O)O 1572f10e4b030a4a402c19f513bf28bb [0,1,0,0,0,1|1,0,1]=4 99 B8R0.16 CCN(CO)CC(=O)O af04d4435f9e87502f4960e4fa163dc7 [0,1,0,0,0,1|1,0,1]=4 100 B8R0.19 C=CC(C)NC(=O)CO bfff0c86eaaef97d8840737c1dae3696 [0,1,0,0,0,1|0,0,2]=4 101 B8R0.19 CCC(C)NC(=O)CO 33a44afa4449469b04b268f3719a3e59 [0,1,0,0,0,1|0,0,2]=4 102 B8R0.19 CCN(C)CC(=O)CO cfedb43af4bce24aac2f06a8534d30e0 [0,1,0,0,0,1|1,0,1]=4 103 B8R0.19 CCN(C)CC(=O)OC dc6eaad4d2fa330c4e11c97ae3abe5a3 [0,1,0,0,0,1|1,0,1]=4 104 B8R0.19 CC[C@@H](C)NC(=O)CO 102bc53795a33daa61b0e6c2cdbc40e6 [0,1,0,0,0,1|0,0,2]=4 105 B8R0.19 CC[C@H](C)NC(=O)CO 7070ce3ef500a05442ee4538ea055e46 [0,1,0,0,0,1|0,0,2]=4 106 B8R0.19 COC(=O)CN(C)C=O 943cc5729a7d321dfa7dcb2f4fa86c17 [0,1,0,0,0,1|2,0,0]=4 107 B8R0.23 CC(=O)N(C)CC(=O)N 6f58f2f5ad7b07ef07711fc466f59108 [0,1,0,0,0,1|2,0,0]=4 108 B8R0.23 CC(C)N(C)CC(=O)O 402f1d7c3b958af1fceb64bdcde4405c [0,1,0,0,0,1|1,0,1]=4 109 B8R0.3 C/C=C(/C)\C(=O)NC#N 4a28b951d85af4fe72199f918f9d9058 [0,2,0,0,0,0|1,0,0]=3 110 B8R0.3 C/C=C(\Br)/C(=O)NC#N 4453baa7e3acde0458c0e570d77403ae [0,2,0,0,0,0|2,0,0]=4 111 B8R0.3 C/C=C(\C)/C(=O)NC#N 6a5856a6ed5a8c173b453370f055d21f [0,2,0,0,0,0|1,0,0]=3 112 B8R0.3 C/C=C(\Cl)/C(=O)NC#N 540594a8809c3a77bb27d996007872f4 [0,2,0,0,0,0|2,0,0]=4 113 B8R0.3 C/C=C(\O)/C(=O)NC#N 8beac7e02e92d8fa950e07a1af6cd19b [0,2,0,0,0,0|2,0,0]=4 114 B8R0.3 C=CCN(C)C(=O)CO a722095437cf1308eaaefa408cf9d5fa [0,2,0,0,0,0|1,0,1]=4 115 B8R0.3 CC=C(C)C(=O)NC#N 84c73c1c708402d6a943d64e7b0e8748 [0,2,0,0,0,0|1,0,0]=3 116 B8R0.3 CCCN(C)C(=O)CO daa5d896fade5a1be51c39257fa3d5b8 [0,2,0,0,0,0|1,0,1]=4 117 B8R0.3 CCN(C)C(=O)CCO a768fc1ddb9cd71dd31e098b1227291c [0,2,0,0,0,0|1,0,1]=4 118 B8R0.3 CCN(C)C(=O)COC bc075abf9590b9fbb9912b8588e5739b [0,2,0,0,0,0|1,0,1]=4 119 B8R0.3 CCN(C)C(=O)CON 6e0d14f683e9faf9643ea856a165130f [0,2,0,0,0,0|1,0,1]=4 120 B8R0.3 CCOC(C)C(=O)OC 80e77c6690e50b9ea6c936f76ec2b497 [0,2,0,0,0,0|0,0,2]=4 121 B8R0.3 CCO[C@@H](C)C(=O)OC 0a1ea57ffacb6be3b6716af86dc8a3ee [0,2,0,0,0,0|0,0,2]=4 122 B8R0.3 CCO[C@H](C)C(=O)OC e42a135486ef83da240a803941dd4003 [0,2,0,0,0,0|0,0,2]=4 123 B8R0.3 CN(CCF)C(=O)CO ddf97572daeb555520ada3a08ed124af [0,2,0,0,0,0|1,0,1]=4 124 B8R0.3 CN(CCO)C(=O)CO 8de638bdca0f8ac1cf08b4f0e65806cd [0,2,0,0,0,0|1,0,1]=4 125 B8R0.3 COC(=O)C(C)OCF 225188b3064670e98f4e80d2140895bc [0,2,0,0,0,0|1,0,1]=4 126 B8R0.3 COC(=O)[C@@H](C)OCF 91f7505b58320e2d5e72e03fb5b0d0c5 [0,2,0,0,0,0|1,0,1]=4 127 B8R0.3 COC(=O)[C@H](C)OCF 1dbcfe62c201ad25840f7e5329cbdc78 [0,2,0,0,0,0|1,0,1]=4 128 B8R0.8 C#CCNC(C)C(=O)O 4b99b7020e460036fc14906401430936 [0,2,0,0,0,0|1,0,1]=4 129 B8R0.8 C#CCN[C@@H](C)C(=O)O 10bbfb92e2c549f58f291f130d16578f [0,2,0,0,0,0|1,0,1]=4 130 B8R0.8 C#CCN[C@H](C)C(=O)O c45ede9d1e43611c768a8090380c1868 [0,2,0,0,0,0|1,0,1]=4 131 B8R0.8 C#CCOC(C)C(=O)O 1adaa60fa476d6dc220f161b33abd609 [0,2,0,0,0,0|1,0,1]=4 132 B8R0.8 C#CCO[C@@H](C)C(=O)O 79781b9b2e6b822211278354159e2687 [0,2,0,0,0,0|1,0,1]=4 133 B8R0.8 C#CCO[C@H](C)C(=O)O 19885536196a71978196625cd8e9f2d3 [0,2,0,0,0,0|1,0,1]=4 134 B8R0.8 C=C(COCC)C(=O)O b3208edc35f04bc3c761d3282605ef24 [0,2,0,0,0,0|0,0,2]=4 135 B8R0.8 C=C(COCF)C(=O)O 482b63a8a7d21f3e3de9eb1368a89112 [0,2,0,0,0,0|0,0,2]=4 136 B8R0.8 C=CCNC(C)C(=O)O 4027c27acb0fdf3aaf8b355f1a408423 [0,2,0,0,0,0|0,0,2]=4 137 B8R0.8 C=CCN[C@@H](C)C(=O)O a2a3215161cedaeb69cecc40398800bc [0,2,0,0,0,0|0,0,2]=4 138 B8R0.8 C=CCN[C@H](C)C(=O)O 9c9e167784ec1fd5265aa094a42d05d8 [0,2,0,0,0,0|0,0,2]=4 139 B8R0.8 C=CCOC(C)C(=O)O 950b3a8c28d6da5c53fb492d3fdc807b [0,2,0,0,0,0|0,0,2]=4 140 B8R0.8 C=CCO[C@@H](C)C(=O)O 25467a59582a2906ce4ce45146ee1287 [0,2,0,0,0,0|0,0,2]=4 141 B8R0.8 C=CCO[C@H](C)C(=O)O 0b91c4aaff97cd63715f015c1d0c9e20 [0,2,0,0,0,0|0,0,2]=4 142 B8R0.8 CC(CNCF)C(=O)O 81c40ac360e7f6cce7aa3313199a6d5d [0,2,0,0,0,0|0,0,2]=4 143 B8R0.8 CC(CNCO)C(=O)O e22ad5b294faf2e87974a8321cb31821 [0,2,0,0,0,0|0,0,2]=4 144 B8R0.8 CC(COCF)C(=O)O 415e8d45727d24f32c3b9f930225f08d [0,2,0,0,0,0|0,0,2]=4 145 B8R0.8 CC(NCC#N)C(=O)O 7e0caa8ab91252d82a8f6abf878f244d [0,2,0,0,0,0|1,0,1]=4 146 B8R0.8 CC(NCC=O)C(=O)O 68b69b45ee2126dd65ee50d2916637e9 [0,2,0,0,0,0|1,0,1]=4 147 B8R0.8 CC(NCCF)C(=O)O 826059aa4ee48cb4b37668249087cac6 [0,2,0,0,0,0|0,0,2]=4 148 B8R0.8 CC(NCCI)C(=O)O dee732c464e42a2d1492bb4c77f9d546 [0,2,0,0,0,0|0,0,2]=4 149 B8R0.8 CC(NCCO)C(=O)O d02ed597872d2f4c546187db89f2f220 [0,2,0,0,0,0|0,0,2]=4 150 B8R0.8 CC(NCCS)C(=O)O c86172ae088a1a89a361e8a05cbb9a1a [0,2,0,0,0,0|0,0,2]=4 151 B8R0.8 CC(OCC#N)C(=O)O 9e60d39e5d4e06a279fadb11fff707cb [0,2,0,0,0,0|1,0,1]=4 152 B8R0.8 CC(OCC=O)C(=O)O f7d574d73325531577cc3be3ba579ff3 [0,2,0,0,0,0|1,0,1]=4 153 B8R0.8 CC(OCCF)C(=O)O 6fd5e9a19867c7867b238e7d51a1feb1 [0,2,0,0,0,0|0,0,2]=4 154 B8R0.8 CC(OCCS)C(=O)O c6314cdd016da9ce267602a4c2560a24 [0,2,0,0,0,0|0,0,2]=4 155 B8R0.8 CCCNC(C)C(=O)O 0bb3e38e8c1f88931a7fe4405f55b48f [0,2,0,0,0,0|0,0,2]=4 156 B8R0.8 CCCN[C@@H](C)C(=O)O ef0370d06100564dc30ac92abf332f2f [0,2,0,0,0,0|0,0,2]=4 157 B8R0.8 CCCN[C@H](C)C(=O)O a8f2478751dbbc6b16132b4c2221ee6f [0,2,0,0,0,0|0,0,2]=4 158 B8R0.8 CCCOC(C)C(=O)O 1322f7b5e7c49e969524d97c6c86e731 [0,2,0,0,0,0|0,0,2]=4 159 B8R0.8 CCCO[C@@H](C)C(=O)O 6d34f6dc5dea70a72e909784584aa3d0 [0,2,0,0,0,0|0,0,2]=4 160 B8R0.8 CCCO[C@H](C)C(=O)O c80966cb853c5464154df7c1b20e2fad [0,2,0,0,0,0|0,0,2]=4 161 B8R0.8 CCNCC(C)C(=O)O f1d53d3e850c3e5f7eacfd1722a00821 [0,2,0,0,0,0|0,0,2]=4 162 B8R0.8 CCNC[C@@H](C)C(=O)O c248e05b45d9e657c31f93c9072982c9 [0,2,0,0,0,0|0,0,2]=4 163 B8R0.8 CCNC[C@H](C)C(=O)O 0c2e6d5b0da6964440e6e3ec89c9de07 [0,2,0,0,0,0|0,0,2]=4 164 B8R0.8 CCOCC(C)C(=O)O c058fb39790cebd08b409e3f0067a53c [0,2,0,0,0,0|0,0,2]=4 165 B8R0.8 CCOC[C@@H](C)C(=O)O caa5ba1722b2330e21dcd6c456bf8574 [0,2,0,0,0,0|0,0,2]=4 166 B8R0.8 CCOC[C@H](C)C(=O)O 3f7f39bbd0ce3dcf45d784eca89b738a [0,2,0,0,0,0|0,0,2]=4 167 B8R0.8 COCNC(C)C(=O)O e8a36179375a090804a3295d43a4edc8 [0,2,0,0,0,0|0,0,2]=4 168 B8R0.8 COCN[C@@H](C)C(=O)O 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C[C@@H](NCC=O)C(=O)O a9f70b757fe4612e75dea21e3835d008 [0,2,0,0,0,0|1,0,1]=4 181 B8R0.8 C[C@@H](NCCF)C(=O)O c985c930a75dd7ef32b597383fbe6b60 [0,2,0,0,0,0|0,0,2]=4 182 B8R0.8 C[C@@H](NCCI)C(=O)O 8a10c2dc2b0ccfee702f35e3cbddbf0d [0,2,0,0,0,0|0,0,2]=4 183 B8R0.8 C[C@@H](NCCO)C(=O)O 773cefab23e4277c3fec27f25db9fd3e [0,2,0,0,0,0|0,0,2]=4 184 B8R0.8 C[C@@H](NCCS)C(=O)O 19d484937376b7d19ec4ad31c032ffd8 [0,2,0,0,0,0|0,0,2]=4 185 B8R0.8 C[C@@H](OCC#N)C(=O)O c705a7a20d6bb82ff2eff911b8d9b552 [0,2,0,0,0,0|1,0,1]=4 186 B8R0.8 C[C@@H](OCC=O)C(=O)O ec661864679508fe308079c34ba0d948 [0,2,0,0,0,0|1,0,1]=4 187 B8R0.8 C[C@@H](OCCF)C(=O)O c9253212131f04406411165ed9fada60 [0,2,0,0,0,0|0,0,2]=4 188 B8R0.8 C[C@@H](OCCS)C(=O)O ac3bfc55d41f7a030484bfd593511e60 [0,2,0,0,0,0|0,0,2]=4 189 B8R0.8 C[C@H](CNCF)C(=O)O 9d81b94206f75ee21b4db163708e8702 [0,2,0,0,0,0|0,0,2]=4 190 B8R0.8 C[C@H](CNCO)C(=O)O 722d39fe0a80aec373909ca981cc2ac2 [0,2,0,0,0,0|0,0,2]=4 191 B8R0.8 C[C@H](COCF)C(=O)O 45766ea01c28bb0aca00c5be08dc9be3 [0,2,0,0,0,0|0,0,2]=4 192 B8R0.8 C[C@H](NCC#N)C(=O)O e4147ba99646ec3a91b79b66bb7623a1 [0,2,0,0,0,0|1,0,1]=4 193 B8R0.8 C[C@H](NCC=O)C(=O)O 8f3e3a2e655b122b5dbf67e5312baae9 [0,2,0,0,0,0|1,0,1]=4 194 B8R0.8 C[C@H](NCCF)C(=O)O fd1f98b23619529732be37e8295a849a [0,2,0,0,0,0|0,0,2]=4 195 B8R0.8 C[C@H](NCCI)C(=O)O 14879b70406900d3b9c0aef15c8804ba [0,2,0,0,0,0|0,0,2]=4 196 B8R0.8 C[C@H](NCCO)C(=O)O 76808623850f5a1065c978caf5c977ca [0,2,0,0,0,0|0,0,2]=4 197 B8R0.8 C[C@H](NCCS)C(=O)O f9c7d821f3499388f2c0c427911263cd [0,2,0,0,0,0|0,0,2]=4 198 B8R0.8 C[C@H](OCC#N)C(=O)O ba12b08c57ed09456d47d6e99832077b [0,2,0,0,0,0|1,0,1]=4 199 B8R0.8 C[C@H](OCC=O)C(=O)O 4ebe59700e459820040abe9c03f70752 [0,2,0,0,0,0|1,0,1]=4 200 B8R0.8 C[C@H](OCCF)C(=O)O 743b16156cee7adc3f15423098970a5c [0,2,0,0,0,0|0,0,2]=4 201 B8R0.8 C[C@H](OCCS)C(=O)O b485ed5c5773edd40292f7e36c453e29 [0,2,0,0,0,0|0,0,2]=4 202 B8R0.12 CC(C)(NCF)C(=O)O f9e92278861b7cfa6593cc57e317672c [0,2,0,0,0,0|1,0,1]=4 203 B8R0.12 CC(C)(NCO)C(=O)O b9fb05c46397d03ef9aa863b94853bfb [0,2,0,0,0,0|1,0,1]=4 204 B8R0.12 CCNC(C)(C)C(=O)O 6a4bebf8bb98ff706835230f86b4cd13 [0,2,0,0,0,0|0,0,2]=4 205 B8R0.15 C/C=C(\OCC)/C(=O)O ed3460e0bbe0f0b117145ec3b6c6a2c3 [0,2,0,0,0,0|0,0,0]=2 206 B8R0.15 C/C=C(\OCF)/C(=O)O af209843a60ee7b531c468eec34edb23 [0,2,0,0,0,0|0,0,0]=2 207 B8R0.15 C=CC(NCC)C(=O)O b4ac7d60381bf72b1b23118f771cafec [0,2,0,0,0,0|0,0,2]=4 208 B8R0.15 C=CC(NCF)C(=O)O 3b1cadf10156d31d21dabae90070459b [0,2,0,0,0,0|0,0,2]=4 209 B8R0.15 C=CC(NCO)C(=O)O 02434f0cc2ab88a157fbbfde94d9a490 [0,2,0,0,0,0|0,0,2]=4 210 B8R0.15 C=C[C@H](NCC)C(=O)O 5c2988d6d8a73101b114f1f85def6c90 [0,2,0,0,0,0|0,0,2]=4 211 B8R0.15 C=C[C@H](NCF)C(=O)O d143ab86678a93c80c8a056198d3e9e0 [0,2,0,0,0,0|0,0,2]=4 212 B8R0.15 C=C[C@H](NCO)C(=O)O 91a74614650e784312c5d23758a5a16b [0,2,0,0,0,0|0,0,2]=4 213 B8R0.15 CCC(NCF)C(=O)O 850ee032ff8e5d86c20bab43e234fbb6 [0,2,0,0,0,0|0,0,2]=4 214 B8R0.15 CCC(NCO)C(=O)O db363ec4295a86c2fa409aac06a566a2 [0,2,0,0,0,0|0,0,2]=4 215 B8R0.15 CCC(OCF)C(=O)O ef6f04d4d4b7d499812df6ebe4668f47 [0,2,0,0,0,0|0,0,2]=4 216 B8R0.15 CCNC(CC)C(=O)O 811bed40f759e9415b190b45b938f031 [0,2,0,0,0,0|0,0,2]=4 217 B8R0.15 CCNC(CCl)C(=O)O a1a6122a812437e412d0d064cc9dd1e8 [0,2,0,0,0,0|0,0,2]=4 218 B8R0.15 CCNC(CF)C(=O)O 017cf9dba405ee85cd9a648c4507e326 [0,2,0,0,0,0|0,0,2]=4 219 B8R0.15 CCNC(CO)C(=O)O ebf98372f13717a9df2df682387bdc5a [0,2,0,0,0,0|0,0,2]=4 220 B8R0.15 CCNC(CS)C(=O)O 8d04389a625618eb9889b3cd17b2e8e6 [0,2,0,0,0,0|0,0,2]=4 221 B8R0.15 CCN[C@@H](CC)C(=O)O ad39164e8fc918d5e58308b586171474 [0,2,0,0,0,0|0,0,2]=4 222 B8R0.15 CCN[C@@H](CCl)C(=O)O 81a0c413a80ec8dc4a086548b2e2f8a3 [0,2,0,0,0,0|0,0,2]=4 223 B8R0.15 CCN[C@@H](CO)C(=O)O e2d91799e466e2d5ad0fbeab938b0c5a [0,2,0,0,0,0|0,0,2]=4 224 B8R0.15 CCN[C@@H](CS)C(=O)O ecb0401bca4bb7db9d87809814f9d4f3 [0,2,0,0,0,0|0,0,2]=4 225 B8R0.15 CCN[C@H](CC)C(=O)O f7f7d1d8bf30d5fe2da91fe96021fe3c [0,2,0,0,0,0|0,0,2]=4 226 B8R0.15 CCN[C@H](CCl)C(=O)O 26dcc066f21950a5ba1142c74ad60cbc [0,2,0,0,0,0|0,0,2]=4 227 B8R0.15 CCN[C@H](CO)C(=O)O ceca2f5f870f50fddc0292e18011d619 [0,2,0,0,0,0|0,0,2]=4 228 B8R0.15 CCN[C@H](CS)C(=O)O 7c010ea0d3f5055c0e7214a8d340a87c [0,2,0,0,0,0|0,0,2]=4 229 B8R0.15 CCOC(CC)C(=O)O 382aa920ebdd6f2bbe768902640ad9e2 [0,2,0,0,0,0|0,0,2]=4 230 B8R0.15 CCO[C@@H](CC)C(=O)O 94f5195873e16b29cb1b8369b5daad14 [0,2,0,0,0,0|0,0,2]=4 231 B8R0.15 CCO[C@H](CC)C(=O)O b8c9ca25086a8c61d2a1f7aecbcec13d [0,2,0,0,0,0|0,0,2]=4 232 B8R0.15 CCO[C@H](CF)C(=O)O afbab515ead87d58e6c9f68e24ff80d8 [0,2,0,0,0,0|0,0,2]=4 233 B8R0.15 CC[C@@H](NCF)C(=O)O 9592ba18488e06d007c56e3bb749b243 [0,2,0,0,0,0|0,0,2]=4 234 B8R0.15 CC[C@@H](NCO)C(=O)O 97715112de1ce5ecb2509133cc9cdaa1 [0,2,0,0,0,0|0,0,2]=4 235 B8R0.15 CC[C@@H](OCF)C(=O)O 04c614c037a7fb2cad756976721bea17 [0,2,0,0,0,0|0,0,2]=4 236 B8R0.15 CC[C@H](NCF)C(=O)O 92c72ae7fc2c9386004189c4ccda19a9 [0,2,0,0,0,0|0,0,2]=4 237 B8R0.15 CC[C@H](NCO)C(=O)O 095847387652246d94b75d260940e322 [0,2,0,0,0,0|0,0,2]=4 238 B8R0.15 CC[C@H](OCF)C(=O)O c3e3503168943a92d052ee029c13c59a [0,2,0,0,0,0|0,0,2]=4 239 B8R0.15 O=C(O)C(CCl)NCF 345f20f31e3e9323b766d08f3e4d0312 [0,2,0,0,0,0|1,0,1]=4 240 B8R0.15 O=C(O)C(CCl)NCO 87909341b2a2401adb94a3e449acbeeb [0,2,0,0,0,0|1,0,1]=4 241 B8R0.15 O=C(O)C(CF)NCF 3c68b2ec2d74233cffc4fb4e71bbb94b [0,2,0,0,0,0|1,0,1]=4 242 B8R0.15 O=C(O)C(CF)NCO 8882ba16164d78cec81fe4b00fda2ae1 [0,2,0,0,0,0|1,0,1]=4 243 B8R0.15 O=C(O)C(CO)NCF 9eea1e72a00cd3dd12c33ca4052b702a [0,2,0,0,0,0|1,0,1]=4 244 B8R0.15 O=C(O)C(CO)NCO 81ff67930a96f8f373a876534f5a354d [0,2,0,0,0,0|1,0,1]=4 245 B8R0.15 O=C(O)C(CS)NCF d2bcc921a07d6c66ec8feced8008b3d2 [0,2,0,0,0,0|1,0,1]=4 246 B8R0.15 O=C(O)C(CS)NCO b3a632b39e14452fb76e40a3b45f1330 [0,2,0,0,0,0|1,0,1]=4 247 B8R0.15 O=C(O)[C@@H](CCl)NCF 0f4882ad0f84646d0776c613bf998da9 [0,2,0,0,0,0|1,0,1]=4 248 B8R0.15 O=C(O)[C@@H](CCl)NCO a657e82377b90be09b01db5df6746084 [0,2,0,0,0,0|1,0,1]=4 249 B8R0.15 O=C(O)[C@@H](CF)OCF 5ca8d51c8b5d5b379a86da0372761524 [0,2,0,0,0,0|1,0,1]=4 250 B8R0.15 O=C(O)[C@@H](CO)NCF b58ae15b4649cf9eff033a92ba589b35 [0,2,0,0,0,0|1,0,1]=4 251 B8R0.15 O=C(O)[C@@H](CO)NCO cfec0a60446fa32f24138a7f54bc9bb8 [0,2,0,0,0,0|1,0,1]=4 252 B8R0.15 O=C(O)[C@@H](CS)NCF f755fd948c7a145e65bf11358747b457 [0,2,0,0,0,0|1,0,1]=4 253 B8R0.15 O=C(O)[C@@H](CS)NCO 0f499f5952378dffba3785ff4ae4c019 [0,2,0,0,0,0|1,0,1]=4 254 B8R0.15 O=C(O)[C@H](CCl)NCF 750706009ff6f282f1ca980848f7e16b [0,2,0,0,0,0|1,0,1]=4 255 B8R0.15 O=C(O)[C@H](CCl)NCO 45f6f42413f314b49f1c79dfa3cea815 [0,2,0,0,0,0|1,0,1]=4 256 B8R0.15 O=C(O)[C@H](CO)NCF e3967553d1a093cbd0dce0f9d6a1e608 [0,2,0,0,0,0|1,0,1]=4 257 B8R0.15 O=C(O)[C@H](CO)NCO 08a1cdec07261d180e41b733dfd606d7 [0,2,0,0,0,0|1,0,1]=4 258 B8R0.15 O=C(O)[C@H](CS)NCF acd5dd73331d3e22705923fab1a8feaf [0,2,0,0,0,0|1,0,1]=4 259 B8R0.15 O=C(O)[C@H](CS)NCO 1ed62aac1780461a449b2c14b61eaf37 [0,2,0,0,0,0|1,0,1]=4 260 B6R1.6 O=CN1CCC1 68439d1e88ecdc5685aec9c6c23ee2b6 [1,0,0,1,0,0|1,0,1]=4 261 B8R1.34 O=C(O)CN1CCC1 ae8e836e7c2a4bf3a61b53e9068f6f2f [0,0,0,1,0,1|1,0,1]=4 262 B8R1.38 O=C(CO)N1CCC1 14506b695520a8256189bb97564c8706 [0,1,0,1,0,0|1,0,1]=4 263 B8R0.9 C=C(C=O)OCC(=O)O 51cf25f24ad7581d33b70bddaf0e4f72 [0,0,0,0,0,2|1,0,1]=4 264 B8R0.9 C=CC(C)NCC(=O)O 7295ae78f031d02442986d01915b1589 [0,0,0,0,0,2|0,0,2]=4 265 B8R0.9 C=CC(C)OCC(=O)O a247bec38dd53f48038da06d8390c9f2 [0,0,0,0,0,2|0,0,2]=4 266 B8R0.9 C=C[C@H](C)OCC(=O)O 11d6db631afaf24abf76538c811f1efa [0,0,0,0,0,2|0,0,2]=4 267 B8R0.9 CC(C=O)NCC(=O)O 002ce333b4dccb41c4d993d9c09ef2b3 [0,0,0,0,0,2|1,0,1]=4 268 B8R0.9 CC(C=O)OCC(=O)O 564a75409a0d42515a0d6296982e94e6 [0,0,0,0,0,2|1,0,1]=4 269 B8R0.9 CCC(C)NCC(=O)O f2952a77ab3e8bd898813643bd6d2028 [0,0,0,0,0,2|0,0,2]=4 270 B8R0.9 CCC(C)OCC(=O)O ba461bfe27072cdbfb8d74924722a4e4 [0,0,0,0,0,2|0,0,2]=4 271 B8R0.9 CCN(C)CCC(=O)O 2d55640deefd272dbf27378182c87c56 [0,0,0,0,0,2|1,0,1]=4 272 B8R0.9 CC[C@@H](C)NCC(=O)O 5c12fd5b6d0cdca7f2b2238c17851dd2 [0,0,0,0,0,2|0,0,2]=4 273 B8R0.9 CC[C@@H](C)OCC(=O)O fcbe44d01b8fa575a40781f8929bf942 [0,0,0,0,0,2|0,0,2]=4 274 B8R0.9 CC[C@H](C)NCC(=O)O d0392c98c4a58fa7920a948e7c8055d4 [0,0,0,0,0,2|0,0,2]=4 275 B8R0.9 CC[C@H](C)OCC(=O)O 8b17e83f890f84f235b698dd6e78f10d [0,0,0,0,0,2|0,0,2]=4 276 B8R0.9 C[C@H](C=O)NCC(=O)O da0ba3cdacb20d5b725c1d49bf4457c6 [0,0,0,0,0,2|1,0,1]=4 277 B8R0.9 C[C@H](C=O)OCC(=O)O 23da9f85b0c8b6dd61bf484a83ea2877 [0,0,0,0,0,2|1,0,1]=4