0 B11R1.12 CCN(C#N)c1ccccc1 0a33bcc251eace95a09e2548bafab86c [0,0,0,0,0,0|4,0,0]=4 1 B11R1.12 CCN(C=O)c1ccccc1 da6bb0dc53f1d66135131d66e3bbe341 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.12 CCN(CC)c1cccnc1 52601769ca231e644678fff005cbe4b5 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.12 CCN(CC)c1ccncc1 bf026ae365b27c547be52cfeb1478f62 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.12 CCN(CF)c1ccccc1 64bfdf9f1ec7c91dbb7909bf38760f4f [0,0,0,0,0,0|4,0,0]=4 5 B10R1.15 CCN(C)c1ccccc1 9cc6568b1f30abe04427bdea858da30e [1,0,0,0,0,0|2,0,0]=3 6 B10R1.15 CCN(C)c1cccnc1 04b21f569d4c75e23135eca19e8dfd7f [1,0,0,0,0,0|3,0,0]=4 7 B10R1.15 CCN(C)c1ccncc1 b94b8554b6698451ca404459911593cc [1,0,0,0,0,0|3,0,0]=4 8 B12R1.3 C#CC(OCC)c1ccccc1 c9e222a07b1334c71e039de024517831 [0,1,0,0,0,0|1,0,1]=3 9 B12R1.3 C#CC(OCC)c1ccccn1 170918ff09a3c87415cb6c1fc061e643 [0,1,0,0,0,0|2,0,1]=4 10 B12R1.3 C#CC(OCC)c1ccncc1 cdbf8744c43aef348457409185486eae [0,1,0,0,0,0|2,0,1]=4 11 B12R1.3 C#CC(OCF)c1ccccc1 2fa7e76e82117aff64b2ec00c6359677 [0,1,0,0,0,0|1,0,1]=3 12 B12R1.3 C#CC(OCF)c1ccccn1 f15490a63d38c7ddc2ff0fd662eb601b [0,1,0,0,0,0|2,0,1]=4 13 B12R1.3 C#CC(OCF)c1ccncc1 f6f24392155bfc09070864f27abf48d1 [0,1,0,0,0,0|2,0,1]=4 14 B12R1.3 C#C[C@@H](OCC)c1ccccc1 ab36c1d59184fd317cb3013d853a5671 [0,1,0,0,0,0|1,0,1]=3 15 B12R1.3 C#C[C@@H](OCF)c1ccccc1 c3e68c5845d9335e4c9c4bd259697e43 [0,1,0,0,0,0|1,0,1]=3 16 B12R1.3 C#C[C@H](OCC)c1ccccc1 1101319a2e49d14a6eed62e76a43a592 [0,1,0,0,0,0|1,0,1]=3 17 B12R1.3 C#C[C@H](OCF)c1ccccc1 7ab26044a9cbad59f1b486eaa66d832b [0,1,0,0,0,0|1,0,1]=3 18 B12R1.3 C=CC(NCC)c1ccccc1 7683e9d7b82c3281238f04ed1a75e97e [0,1,0,0,0,0|2,0,1]=4 19 B12R1.3 C=CC(NCF)c1ccccc1 10ae09b5ad9c11712c1e0d307f5d7811 [0,1,0,0,0,0|2,0,1]=4 20 B12R1.3 C=CC(NCO)c1ccccc1 059bf4cd23c9defe529348afd9ac29e4 [0,1,0,0,0,0|2,0,1]=4 21 B12R1.3 C=CC(OCC)c1ccccc1 6bde42162b5d4c427a68bf4a10c8d095 [0,1,0,0,0,0|1,0,1]=3 22 B12R1.3 C=CC(OCF)c1ccccc1 5f73c1e6e0711249ad6cf93a7f337460 [0,1,0,0,0,0|1,0,1]=3 23 B12R1.3 C=C[C@@H](NCC)c1ccccc1 ce0bccab84f78d550cd5d29e0af99881 [0,1,0,0,0,0|2,0,1]=4 24 B12R1.3 C=C[C@@H](NCF)c1ccccc1 87007f2d58a77127e300760fa39eaa08 [0,1,0,0,0,0|2,0,1]=4 25 B12R1.3 C=C[C@@H](NCO)c1ccccc1 0443a692877053ff1e1a5a26e535fa7f [0,1,0,0,0,0|2,0,1]=4 26 B12R1.3 C=C[C@H](NCC)c1ccccc1 378688aa1f70c0c46a994c0dd710e214 [0,1,0,0,0,0|2,0,1]=4 27 B12R1.3 C=C[C@H](NCF)c1ccccc1 4fe754d8498c752ef4b3c99157f3177d [0,1,0,0,0,0|2,0,1]=4 28 B12R1.3 C=C[C@H](NCO)c1ccccc1 971121604f82db695e04bc0173604a06 [0,1,0,0,0,0|2,0,1]=4 29 B12R1.3 CCC(NC#N)c1ccccc1 0a2ef7e390ad9e10cb2f8cc5101ed59a [0,1,0,0,0,0|2,0,1]=4 30 B12R1.3 CCC(NC=O)c1ccccc1 f35c5a1e32ab8921cb0fd5e08b4f1f33 [0,1,0,0,0,0|2,0,1]=4 31 B12R1.3 CCC(NCF)c1ccccc1 ed86f14698723f0d42b213b4b8bf0e21 [0,1,0,0,0,0|2,0,0]=3 32 B12R1.3 CCC(NCF)c1ccccn1 029363a63cdc73d43d382c017127f3b2 [0,1,0,0,0,0|3,0,0]=4 33 B12R1.3 CCC(NCF)c1cccnc1 050a1d083b10f03fb450419c81be8ae1 [0,1,0,0,0,0|3,0,0]=4 34 B12R1.3 CCC(NCF)c1ccncc1 9bf5261489e42a982668f9a02bc785b3 [0,1,0,0,0,0|3,0,0]=4 35 B12R1.3 CCC(NCO)c1ccccc1 162ffd02e2794d38a2def38bde94ce3c [0,1,0,0,0,0|2,0,0]=3 36 B12R1.3 CCC(NCO)c1ccccn1 53926739b5891202cd48ad9d7851078d [0,1,0,0,0,0|3,0,0]=4 37 B12R1.3 CCC(NCO)c1cccnc1 fc7ff5ecddc71c25db8fb93cf06fa985 [0,1,0,0,0,0|3,0,0]=4 38 B12R1.3 CCC(NCO)c1ccncc1 84ba64a663164f99367cb5a402dca926 [0,1,0,0,0,0|3,0,0]=4 39 B12R1.3 CCC(OCF)c1ccccc1 5b485d5efcd72f947d8121a70246c978 [0,1,0,0,0,0|1,0,0]=2 40 B12R1.3 CCCN(CC)c1ccccc1 5ea19e4bc735ea7f3069a2089b17f98f [0,1,0,0,0,0|3,0,0]=4 41 B12R1.3 CCN(CCCl)c1ccccc1 47212d52e7418dc451bee3761dbb1919 [0,1,0,0,0,0|3,0,0]=4 42 B12R1.3 CCN(CCF)c1ccccc1 1f9535ebcbb04abfa8a63a91ce467760 [0,1,0,0,0,0|3,0,0]=4 43 B12R1.3 CCN(CCO)c1ccccc1 1d2e59911dbe6dcca81bb0f2ddfcbc0f [0,1,0,0,0,0|3,0,0]=4 44 B12R1.3 CCN(CCS)c1ccccc1 44ac60c76caf5f87f5e7ad1379af23fc [0,1,0,0,0,0|3,0,0]=4 45 B12R1.3 CCN(COC)c1ccccn1 0b1b78db80afb2e10943f7ad289f1450 [0,1,0,0,0,0|3,0,0]=4 46 B12R1.3 CCN(COC)c1cccnc1 799190509faf878a529d2c7126b2c660 [0,1,0,0,0,0|3,0,0]=4 47 B12R1.3 CCN(COC)c1ccncc1 dd09e0c2e668bd33e2c11f3e62f92252 [0,1,0,0,0,0|3,0,0]=4 48 B12R1.3 CCNC(C#N)c1ccccc1 9c3c1340c48a32c7b7c4df075ca3e927 [0,1,0,0,0,0|3,0,0]=4 49 B12R1.3 CCNC(CC)c1ccccc1 545af735d01bd949c3ac8c0f705df1c5 [0,1,0,0,0,0|2,0,0]=3 50 B12R1.3 CCNC(CC)c1ccccn1 d1e9b5de2ccb0e4722c0772533316408 [0,1,0,0,0,0|3,0,0]=4 51 B12R1.3 CCNC(CC)c1cccnc1 183e03f7f6827f9f25dce9a8d81e707c [0,1,0,0,0,0|3,0,0]=4 52 B12R1.3 CCNC(CC)c1ccncc1 677ee2285d647e3f30ca8e6c526afe68 [0,1,0,0,0,0|3,0,0]=4 53 B12R1.3 CCNC(CO)c1ccccc1 614d7335d28e1b76b7f75c607857ca9e [0,1,0,0,0,0|3,0,0]=4 54 B12R1.3 CCN[C@@H](CC)c1ccccc1 04d3b6bff3d1780d8e4393fe160a01a5 [0,1,0,0,0,0|2,0,0]=3 55 B12R1.3 CCN[C@@H](CC)c1ccccn1 c2e742d207a0e06763cd9384a5387e76 [0,1,0,0,0,0|3,0,0]=4 56 B12R1.3 CCN[C@@H](CC)c1ccncc1 ec2d00a048bef655edcca69146cce022 [0,1,0,0,0,0|3,0,0]=4 57 B12R1.3 CCN[C@@H](CF)c1ccccc1 ab49fd1b2fc91a1fdd527edfe33c19df [0,1,0,0,0,0|3,0,0]=4 58 B12R1.3 CCN[C@@H](CO)c1ccccc1 9d47715e51326d3f123529a31c888612 [0,1,0,0,0,0|3,0,0]=4 59 B12R1.3 CCN[C@H](CC)c1ccccc1 caae78d6c102af5eac580f83fa54bc70 [0,1,0,0,0,0|2,0,0]=3 60 B12R1.3 CCN[C@H](CC)c1ccccn1 2dbd84955b60e7af57981642eed8719d [0,1,0,0,0,0|3,0,0]=4 61 B12R1.3 CCN[C@H](CO)c1ccccc1 73c9e00984005addb2e89adfbc35e5fb [0,1,0,0,0,0|3,0,0]=4 62 B12R1.3 CCOC(C#N)c1ccccc1 805d27e9f4caf999dbaee63bd249473f [0,1,0,0,0,0|2,0,0]=3 63 B12R1.3 CCOC(C#N)c1cccnc1 3523c3ce9970c59f6dd43d4c2635e7bb [0,1,0,0,0,0|3,0,0]=4 64 B12R1.3 CCOC(CC)c1ccccc1 1d12b3cd8d8b35a196d78ca3c83b16b1 [0,1,0,0,0,0|1,0,0]=2 65 B12R1.3 CCOC(CF)c1ccccc1 bb8f7d948231fd3c336c5958e3d5f3d1 [0,1,0,0,0,0|2,0,0]=3 66 B12R1.3 CCO[C@@H](C#N)c1ccccc1 f112c502298ec98341142ef676ad95e1 [0,1,0,0,0,0|2,0,0]=3 67 B12R1.3 CCO[C@@H](CC)c1ccccc1 ff776a615b7682f9fc21ac29a916a75c [0,1,0,0,0,0|1,0,0]=2 68 B12R1.3 CCO[C@H](CC)c1ccccc1 126bf67ce7412ce4ee019181c066a374 [0,1,0,0,0,0|1,0,0]=2 69 B12R1.3 CCO[C@H](CF)c1ccccc1 7dd160e9e223f7bf78a48ff1b17e143c [0,1,0,0,0,0|2,0,0]=3 70 B12R1.3 CC[C@@H](NC=O)c1ccccc1 ebbf73246fa5e055d14598ff73ee74b9 [0,1,0,0,0,0|2,0,1]=4 71 B12R1.3 CC[C@@H](NCF)c1ccccc1 6f08188177f28f633cba50330514db2e [0,1,0,0,0,0|2,0,0]=3 72 B12R1.3 CC[C@@H](NCF)c1ccccn1 10677ba56a17a7bcc6c8818a24cccc80 [0,1,0,0,0,0|3,0,0]=4 73 B12R1.3 CC[C@@H](NCO)c1ccccc1 5d84ee4f86f004e922a53c121ca41963 [0,1,0,0,0,0|2,0,0]=3 74 B12R1.3 CC[C@@H](NCO)c1ccccn1 a746d9485bf61fd67aed410025514b7c [0,1,0,0,0,0|3,0,0]=4 75 B12R1.3 CC[C@@H](OCF)c1ccccc1 307e9d28b5193485842cb584d1b5a35a [0,1,0,0,0,0|1,0,0]=2 76 B12R1.3 CC[C@H](NC=O)c1ccccc1 5b95454d2846027c7fee198531e3fbcd [0,1,0,0,0,0|2,0,1]=4 77 B12R1.3 CC[C@H](NCF)c1ccccc1 95804ae7f36e32213ebe989b5cd16cd1 [0,1,0,0,0,0|2,0,0]=3 78 B12R1.3 CC[C@H](NCF)c1ccccn1 70748b7f02b35732101746d92177e009 [0,1,0,0,0,0|3,0,0]=4 79 B12R1.3 CC[C@H](NCF)c1ccncc1 80c3d958d92a857f6bd5be5b5e586ab9 [0,1,0,0,0,0|3,0,0]=4 80 B12R1.3 CC[C@H](NCO)c1ccccc1 d12bfbd0d9ffd6d724b18eeafaa4d3ef [0,1,0,0,0,0|2,0,0]=3 81 B12R1.3 CC[C@H](NCO)c1ccccn1 b9aba8abff04e6b3b6b4a248c7495edb [0,1,0,0,0,0|3,0,0]=4 82 B12R1.3 CC[C@H](NCO)c1ccncc1 ae2c34c80c5c8add8ece2f5037ec56a1 [0,1,0,0,0,0|3,0,0]=4 83 B12R1.3 CC[C@H](OCF)c1ccccc1 ee9c70fcb8cc52ab67267daa0fab1c73 [0,1,0,0,0,0|1,0,0]=2 84 B12R1.3 COCN(C#N)c1ccccc1 87a980f08102a0f2b1726c41ff2f41d9 [0,1,0,0,0,0|3,0,0]=4 85 B12R1.3 FCN[C@@H](CF)c1ccccc1 7653dba4c4786a42a01c43c68d5b04cc [0,1,0,0,0,0|3,0,0]=4 86 B12R1.3 FCOC(CF)c1ccccc1 e8fe0e4aad5be8f3a99471fec3f8b5fe [0,1,0,0,0,0|2,0,0]=3 87 B12R1.3 FCO[C@H](CF)c1ccccc1 45e7d0441fac00b521f5a76542de6b8f [0,1,0,0,0,0|2,0,0]=3 88 B12R1.3 N#CC(NCF)c1ccccc1 f98eb0c12cea160e611c8a32cf94e460 [0,1,0,0,0,0|3,0,0]=4 89 B12R1.3 N#CC(NCO)c1ccccc1 3a25592688f62e9e2e1c0aa1965a0e6e [0,1,0,0,0,0|3,0,0]=4 90 B12R1.3 N#CC(OCF)c1ccccc1 93318d744c7b2c4359f3cad01cdd3b48 [0,1,0,0,0,0|2,0,0]=3 91 B12R1.3 N#CC(OCF)c1cccnc1 bbd1a44ee5489d14e09a9cc02e80bf32 [0,1,0,0,0,0|3,0,0]=4 92 B12R1.3 N#C[C@H](OCF)c1ccccc1 29429bb9b7be9e0ca0101546c4b4678f [0,1,0,0,0,0|2,0,0]=3 93 B12R1.3 OCC(NCF)c1ccccc1 eaf7d36725e016b8868e5ee278bca73b [0,1,0,0,0,0|3,0,0]=4 94 B12R1.3 OCNC(CO)c1ccccc1 a3cd377c07e89cc8008c00850413e2fa [0,1,0,0,0,0|3,0,0]=4 95 B12R1.3 OCN[C@@H](CF)c1ccccc1 c48dbb78e8705925b437f732da4df883 [0,1,0,0,0,0|3,0,0]=4 96 B12R1.3 OCN[C@@H](CO)c1ccccc1 47e5ec93da6df8b6056499be137dbc47 [0,1,0,0,0,0|3,0,0]=4 97 B12R1.3 OCN[C@H](CO)c1ccccc1 a68f9bf02ebd1849a27bc4bc05035ca2 [0,1,0,0,0,0|3,0,0]=4 98 B12R1.3 OC[C@@H](NCF)c1ccccc1 0ac5a4dce202f249594459f5d60bcf4f [0,1,0,0,0,0|3,0,0]=4 99 B12R1.3 OC[C@H](NCF)c1ccccc1 590aacd64b7799646c86138b9bcd2be8 [0,1,0,0,0,0|3,0,0]=4 100 B12R1.12 CCN(CC)c1ccc(cc1)C c612c057fef47b52c489959a7dfea2da [0,1,0,0,0,0|3,0,0]=4 101 B12R1.12 CCN(CC)c1ccc(cc1)F 808c9830441596fbaaebad45efdd35d1 [0,1,0,0,0,0|3,0,0]=4 102 B12R1.13 CCN(CC)c1cccc(c1)Br 2f591c99eb595375d8bc1fb2a9455a44 [0,1,0,0,0,0|3,0,0]=4 103 B12R1.13 CCN(CC)c1cccc(c1)F 1612a8108c027fe8ced6cd18fac67730 [0,1,0,0,0,0|3,0,0]=4 104 B12R1.118 CCC(C=O)Nc1ccccc1 8973b461ada5e90cb6534721bdd5a0a6 [0,0,0,0,0,1|3,0,0]=4 105 B12R1.118 CCC(CC)Nc1ccccc1 62a5bbda4663c06f44e205dbfccb7cfa [0,0,0,0,0,1|2,0,0]=3 106 B12R1.118 CCC(CC)Nc1ccccn1 f49e7f296a5962a94c0c5ee1a9955043 [0,0,0,0,0,1|3,0,0]=4 107 B12R1.118 CCC(CC)Nc1cccnc1 9d074fe2d03393afaa8a1f416d06c27c [0,0,0,0,0,1|3,0,0]=4 108 B12R1.118 CCC(CC)Nc1ccncc1 e92afb62d5152fa888d91281ef827321 [0,0,0,0,0,1|3,0,0]=4 109 B12R1.118 CCC(CC)Oc1ccccn1 f5c416138eaed35a265a3babf42f340b [0,0,0,0,0,1|3,0,0]=4 110 B12R1.118 CCC(CC)Oc1cccnc1 8b905fcc9a0926c38970cda9cd15fb7e [0,0,0,0,0,1|3,0,0]=4 111 B12R1.118 CCC(CC)Oc1ccncc1 8468a86458c76ca321270d5385e3c580 [0,0,0,0,0,1|3,0,0]=4 112 B12R1.118 CCC(CO)Nc1ccccc1 4bbd0090e2c789b85e6c79fc920a972e [0,0,0,0,0,1|3,0,0]=4 113 B12R1.118 CC[C@@H](CO)Nc1ccccc1 4e6d1044dff6b69bba19855888009bcf [0,0,0,0,0,1|3,0,0]=4 114 B12R1.118 CC[C@H](CO)Nc1ccccc1 6e84965dfbcccf2d9d399d53a4428cff [0,0,0,0,0,1|3,0,0]=4 115 B9R1.8 CCNc1ccccc1 33257e4a9e1d882742dfd4cfddb78cda [2,0,0,0,0,0|2,0,0]=4 116 B11R1.16 CC(NC=O)c1ccccc1 912f825ae8ec09ad8cb929f90e443d73 [1,1,0,0,0,0|1,0,1]=4 117 B11R1.16 CC(NCF)c1ccccn1 0905269fa9a0af5b89b0863135e0ba86 [1,1,0,0,0,0|2,0,0]=4 118 B11R1.16 CC(NCF)c1cccnc1 06f634f0617dadb8cf037734a8a97de2 [1,1,0,0,0,0|2,0,0]=4 119 B11R1.16 CC(NCF)c1ccncc1 52244c9bda4d3b96fb892679ba84673a [1,1,0,0,0,0|2,0,0]=4 120 B11R1.16 CC(NCO)c1ccccn1 92e2d7a3e5eb4a0cf656a3abd8120ca1 [1,1,0,0,0,0|2,0,0]=4 121 B11R1.16 CC(NCO)c1cccnc1 862c30acc11398ef9d9eed839c208db8 [1,1,0,0,0,0|2,0,0]=4 122 B11R1.16 CC(NCO)c1ccncc1 c1d5cc5db08b36fc1a8cd8b573f9e139 [1,1,0,0,0,0|2,0,0]=4 123 B11R1.16 CC(OCF)c1ccccc1 a5a4510633c1500ac034b294490d7f65 [1,1,0,0,0,0|0,0,0]=2 124 B11R1.16 CC(OCF)c1ccccn1 2375003933f3ce846737f38420e767b3 [1,1,0,0,0,0|1,0,0]=3 125 B11R1.16 CC(OCF)c1cccnc1 38385d8a804ea3beb03ef81ac1897631 [1,1,0,0,0,0|1,0,0]=3 126 B11R1.16 CC(OCF)c1cccnn1 64ac9fb3bf5386ac880364342f37e543 [1,1,0,0,0,0|2,0,0]=4 127 B11R1.16 CC(OCF)c1ccncc1 6bf0979779201a0d2383a11ee6cede62 [1,1,0,0,0,0|1,0,0]=3 128 B11R1.16 CC(OCF)c1cnccn1 edaa78b62734f3603bd18d85f98d58c9 [1,1,0,0,0,0|2,0,0]=4 129 B11R1.16 CC(OCF)c1cncnc1 e7955bbada7d31c4fe415a4f864b365e [1,1,0,0,0,0|2,0,0]=4 130 B11R1.16 CC(OCF)c1ncccn1 3be8fce151d8c4aa29e24030e3bad42d [1,1,0,0,0,0|2,0,0]=4 131 B11R1.16 CCCN(C)c1ccccc1 5333b12ce18e2a38096b8e486fed114a [1,1,0,0,0,0|2,0,0]=4 132 B11R1.16 CCNC(C)c1ccccc1 af03e39d181c5fd668bda5d6f7d06e14 [1,1,0,0,0,0|1,0,0]=3 133 B11R1.16 CCNC(C)c1ccccn1 1349d82fdb3aca31d54d33a892f4429f [1,1,0,0,0,0|2,0,0]=4 134 B11R1.16 CCNC(C)c1cccnc1 c47433cc5cae1ddbdb53f6ca3e6bfaaf [1,1,0,0,0,0|2,0,0]=4 135 B11R1.16 CCNC(C)c1ccncc1 4381b6d20643b9397cf1c3275f14ef7f [1,1,0,0,0,0|2,0,0]=4 136 B11R1.16 CCN[C@@H](C)c1ccccc1 994b5b0b50363ecab1efd5b7f9e6d7cd [1,1,0,0,0,0|1,0,0]=3 137 B11R1.16 CCN[C@@H](C)c1ccccn1 6becaa5dd299afbde8d9e40b8df2b64b [1,1,0,0,0,0|2,0,0]=4 138 B11R1.16 CCN[C@@H](C)c1cccnc1 330151f91eef2953e097f24cd8fe5255 [1,1,0,0,0,0|2,0,0]=4 139 B11R1.16 CCN[C@@H](C)c1ccncc1 00312d91ebda62098fbd65a2d65ba17c [1,1,0,0,0,0|2,0,0]=4 140 B11R1.16 CCN[C@H](C)c1ccccc1 af432512ad94856da6ef9d44592c3502 [1,1,0,0,0,0|1,0,0]=3 141 B11R1.16 CCN[C@H](C)c1ccccn1 de5b9d337b6c15bb985fd6d76426b016 [1,1,0,0,0,0|2,0,0]=4 142 B11R1.16 CCN[C@H](C)c1cccnc1 7cb1b35ff9549b4a705f07ae86659632 [1,1,0,0,0,0|2,0,0]=4 143 B11R1.16 CCN[C@H](C)c1ccncc1 d9dd8baf03e60276588d8bf323f0d599 [1,1,0,0,0,0|2,0,0]=4 144 B11R1.16 CCOC(C)c1ccccc1 37108e833ff536d25c550cb5b37c873d [1,1,0,0,0,0|0,0,0]=2 145 B11R1.16 CCOC(C)c1ccccn1 2349fef21e807c42cd2b612eadfb89fd [1,1,0,0,0,0|1,0,0]=3 146 B11R1.16 CCOC(C)c1cccnc1 9c9e8ee26a948f6734fe8bca4ac259d1 [1,1,0,0,0,0|1,0,0]=3 147 B11R1.16 CCOC(C)c1cccnn1 b45ba464b06ee6bdc1c736a50ffd8553 [1,1,0,0,0,0|2,0,0]=4 148 B11R1.16 CCOC(C)c1ccncc1 e4e418e4b9933d9ffab69561c2ee0b8d [1,1,0,0,0,0|1,0,0]=3 149 B11R1.16 CCOC(C)c1cnccn1 c43729a6fd74b4ab221ba3a8754f47ca [1,1,0,0,0,0|2,0,0]=4 150 B11R1.16 CCOC(C)c1ncccn1 1fedda22cfecf8948662f3eef3f690f9 [1,1,0,0,0,0|2,0,0]=4 151 B11R1.16 CCO[C@@H](C)c1ccccc1 e4f11a13dd3f609e6f25ac3a3b969fe2 [1,1,0,0,0,0|0,0,0]=2 152 B11R1.16 CCO[C@@H](C)c1ccccn1 d31d85c16530817c2b81fb1a03fe7e57 [1,1,0,0,0,0|1,0,0]=3 153 B11R1.16 CCO[C@@H](C)c1cccnc1 4f79e80bc80f924c1d9263e4c7a80e48 [1,1,0,0,0,0|1,0,0]=3 154 B11R1.16 CCO[C@@H](C)c1ccncc1 10c7e45b7f2432aed0d2d85f0e9de43f [1,1,0,0,0,0|1,0,0]=3 155 B11R1.16 CCO[C@@H](C)c1ccncn1 ecda7948a20662ef60b97d1988299e8d [1,1,0,0,0,0|2,0,0]=4 156 B11R1.16 CCO[C@@H](C)c1cnccn1 8a6e3a914bc27167363a585a0aa27251 [1,1,0,0,0,0|2,0,0]=4 157 B11R1.16 CCO[C@@H](C)c1ncccn1 4240750fe2b64fee8772620e302ddfbe [1,1,0,0,0,0|2,0,0]=4 158 B11R1.16 CCO[C@H](C)c1ccccc1 54694971b3853f962e687b61e7c698c1 [1,1,0,0,0,0|0,0,0]=2 159 B11R1.16 CCO[C@H](C)c1ccccn1 c768b24f1cd72ff8137851b753ae2d04 [1,1,0,0,0,0|1,0,0]=3 160 B11R1.16 CCO[C@H](C)c1cccnc1 cd637b20fb4bf525c6de41c7953f4069 [1,1,0,0,0,0|1,0,0]=3 161 B11R1.16 CCO[C@H](C)c1cccnn1 5e113335bfa1da5c764374cee09167f3 [1,1,0,0,0,0|2,0,0]=4 162 B11R1.16 CCO[C@H](C)c1ccncc1 be826d73c7c9b4a2a044295b6bfe0a2c [1,1,0,0,0,0|1,0,0]=3 163 B11R1.16 CCO[C@H](C)c1cnccn1 5d3b5896b879729f1ffbe4449af13432 [1,1,0,0,0,0|2,0,0]=4 164 B11R1.16 CCO[C@H](C)c1ncccn1 f16129f9fc3238ad0c96779a2995a1df [1,1,0,0,0,0|2,0,0]=4 165 B11R1.16 CN(CCF)c1ccccc1 10541e2e32dac0db7a85ea44620c0e3e [1,1,0,0,0,0|2,0,0]=4 166 B11R1.16 CN(CCO)c1ccccc1 4b734b8d391d02ddf47f0308fb1d22c8 [1,1,0,0,0,0|2,0,0]=4 167 B11R1.16 COCN(C)c1ccccc1 6231e4bc9ebe3bdb02fd15faeb34634f [1,1,0,0,0,0|1,0,0]=3 168 B11R1.16 COCN(C)c1ccccn1 66cbdeedae67899dab62ab4e4b9abfe2 [1,1,0,0,0,0|2,0,0]=4 169 B11R1.16 COCN(C)c1cccnc1 eee1a900430cbd2ead764847823e4249 [1,1,0,0,0,0|2,0,0]=4 170 B11R1.16 COCN(C)c1ccncc1 844858b0bf6accc4b68ce8147d0d88ed [1,1,0,0,0,0|2,0,0]=4 171 B11R1.16 CSCN(C)c1ccccc1 6fe637e44a17092ac12098dbdcb5352f [1,1,0,0,0,0|1,1,0]=4 172 B11R1.16 C[C@@H](NC=O)c1ccccc1 ed3cbc790dab943801487e30e3a37c11 [1,1,0,0,0,0|1,0,1]=4 173 B11R1.16 C[C@@H](NCF)c1ccccn1 99b97b5aa9cfaef5c750c0b6f424a155 [1,1,0,0,0,0|2,0,0]=4 174 B11R1.16 C[C@@H](NCF)c1cccnc1 661209de32fd81ce54914e1bd942009a [1,1,0,0,0,0|2,0,0]=4 175 B11R1.16 C[C@@H](NCF)c1ccncc1 7c723b81de2f22629dc13a66a3539cc2 [1,1,0,0,0,0|2,0,0]=4 176 B11R1.16 C[C@@H](NCO)c1ccccn1 06a1df171fb3e867c231d94d30fe4c59 [1,1,0,0,0,0|2,0,0]=4 177 B11R1.16 C[C@@H](NCO)c1cccnc1 cf5dbaaa37b8cb4e2f16350a55683027 [1,1,0,0,0,0|2,0,0]=4 178 B11R1.16 C[C@@H](NCO)c1ccncc1 7d10d857a4fd7fe5ca5ccba46504091e [1,1,0,0,0,0|2,0,0]=4 179 B11R1.16 C[C@@H](OCF)c1ccccc1 f6dc1405e5744871891f84657f997fd4 [1,1,0,0,0,0|0,0,0]=2 180 B11R1.16 C[C@@H](OCF)c1ccccn1 452563b793d445f90c7b5445d0861252 [1,1,0,0,0,0|1,0,0]=3 181 B11R1.16 C[C@@H](OCF)c1cccnc1 700f73ac95c9eff915753055610d6829 [1,1,0,0,0,0|1,0,0]=3 182 B11R1.16 C[C@@H](OCF)c1cccnn1 3bd1e0f6c80525dfebefd4823c4e201f [1,1,0,0,0,0|2,0,0]=4 183 B11R1.16 C[C@@H](OCF)c1ccncc1 1ab9725f241037c368e977085ea4a520 [1,1,0,0,0,0|1,0,0]=3 184 B11R1.16 C[C@@H](OCF)c1cnccn1 4ec1a495205071e6cae2957a86acc99e [1,1,0,0,0,0|2,0,0]=4 185 B11R1.16 C[C@@H](OCF)c1ncccn1 4ef5d7d7be4b61507d3fe34c1cbe860b [1,1,0,0,0,0|2,0,0]=4 186 B11R1.16 C[C@H](NC=O)c1ccccc1 0ca5dec48ba28ecff3cefea41bc874f0 [1,1,0,0,0,0|1,0,1]=4 187 B11R1.16 C[C@H](NCF)c1ccccn1 3f81f6af69df7aaa916f5a60f5ffdf6c [1,1,0,0,0,0|2,0,0]=4 188 B11R1.16 C[C@H](NCF)c1cccnc1 66a2dcad38cbf0d519df63526d229e46 [1,1,0,0,0,0|2,0,0]=4 189 B11R1.16 C[C@H](NCF)c1ccncc1 01b512844ac187d8e5e90b8a3d251ae9 [1,1,0,0,0,0|2,0,0]=4 190 B11R1.16 C[C@H](NCO)c1ccccn1 d98746896574333cf45787ddae8ffaa8 [1,1,0,0,0,0|2,0,0]=4 191 B11R1.16 C[C@H](NCO)c1cccnc1 476af247167559627f6aa699dfa54495 [1,1,0,0,0,0|2,0,0]=4 192 B11R1.16 C[C@H](NCO)c1ccncc1 6f6a1ba3773069295a22e913e615ab17 [1,1,0,0,0,0|2,0,0]=4 193 B11R1.16 C[C@H](OCF)c1ccccc1 0bdd092ad3daed19f52c193b52481cfc [1,1,0,0,0,0|0,0,0]=2 194 B11R1.16 C[C@H](OCF)c1ccccn1 6ecec266ea2cccd56a91b2c7f7312784 [1,1,0,0,0,0|1,0,0]=3 195 B11R1.16 C[C@H](OCF)c1cccnc1 1642ade6f48ada445386d02dbd40b795 [1,1,0,0,0,0|1,0,0]=3 196 B11R1.16 C[C@H](OCF)c1ccncc1 1ba2b2d00b1ff65d044471b9d6a9a89a [1,1,0,0,0,0|1,0,0]=3 197 B11R1.16 C[C@H](OCF)c1ccncn1 26bd6104abadfb12494f6a186c29cea4 [1,1,0,0,0,0|2,0,0]=4 198 B11R1.16 C[C@H](OCF)c1cnccn1 3a4066349d3d9540ab63cf5616e22030 [1,1,0,0,0,0|2,0,0]=4 199 B11R1.16 C[C@H](OCF)c1ncccn1 fefd2fdae544c7c875bfd9c11d18795f [1,1,0,0,0,0|2,0,0]=4 200 B11R1.22 CCN(C)c1ccc(cc1)F 37e2d475a9bd3cfcf296a94fc69fd067 [1,1,0,0,0,0|2,0,0]=4 201 B11R1.22 CCN(C)c1ccc(cc1)I 6deef7aec400603f68eb68f0833942ec [1,1,0,0,0,0|2,0,0]=4 202 B11R1.22 CCN(C)c1ccc(cc1)S 429f96f94511567839fe68b5edd62f1c [1,1,0,0,0,0|2,0,0]=4 203 B11R1.23 CCN(C)c1cccc(c1)Br b9912e02c1f17bb41ebd144c9e9202ee [1,1,0,0,0,0|2,0,0]=4 204 B11R1.23 CCN(C)c1cccc(c1)F 430101ed975145c517dcbcb463820b73 [1,1,0,0,0,0|2,0,0]=4 205 B11R1.222 CCN(C)c1ccccc1C 9f04b12bb5b89a6592eb728905a01c8b [1,1,0,0,0,0|2,0,0]=4 206 B11R1.222 CCN(C)c1ccccc1F f232548c9b2f85032dbceb393dfbf769 [1,1,0,0,0,0|2,0,0]=4 207 B11R1.2 CCC(OCF)c1ccco1 ac337bac6fb9bd0ac14ac4bc9f5cd638 [0,1,0,0,1,0|2,0,0]=4 208 B11R1.2 CCOC(CC)c1ccco1 366fc859f101fd1b46dbaf490df0422e [0,1,0,0,1,0|2,0,0]=4 209 B13R1.79 C#CC(Cc1ccccc1)OCC baba28c2f1d3738679598657e5199de8 [0,1,0,0,0,1|1,0,1]=4 210 B13R1.79 C#CC(Cc1ccccc1)OCF 83618cf400d6d1918c2674a6252e01f7 [0,1,0,0,0,1|1,0,1]=4 211 B13R1.79 CCC(COC)Nc1ccccc1 fedcef488a756e2094f327de2eb2c4d2 [0,1,0,0,0,1|1,0,0]=3 212 B13R1.79 CCC(COC)Nc1cccnc1 d50feea7689eb29c35d93310e356e1ef [0,1,0,0,0,1|2,0,0]=4 213 B13R1.79 CCC(Cc1ccccc1)NCF b5d416648bbbb99acecac78408d06685 [0,1,0,0,0,1|2,0,0]=4 214 B13R1.79 CCC(Cc1ccccc1)NCO 4622a1ddba6a358c3ffd67908655d75c [0,1,0,0,0,1|2,0,0]=4 215 B13R1.79 CCC(Cc1ccccc1)OCF 00c99e7ba34e94b94f177f568be8e312 [0,1,0,0,0,1|1,0,0]=3 216 B13R1.79 CCC(Cc1ccccn1)OCF 6dbda7b3f76a20774c8d0ac7f636f023 [0,1,0,0,0,1|2,0,0]=4 217 B13R1.79 CCCC(CC)Nc1ccccc1 6e61d1760ae1faff4fa5b3b1f6312d06 [0,1,0,0,0,1|2,0,0]=4 218 B13R1.79 CCNC(CC)Cc1ccccc1 002ed484243067e94ed6831a206c686f [0,1,0,0,0,1|2,0,0]=4 219 B13R1.79 CCOC(CC)Cc1ccccc1 5414cfbea073f7356f1655cdb43b6ed6 [0,1,0,0,0,1|1,0,0]=3 220 B13R1.79 CCOC(CC)Cc1ccccn1 c0d13ef534a0f1edceceb8e56de3eb7b [0,1,0,0,0,1|2,0,0]=4 221 B13R1.79 COCC(CO)Nc1ccccc1 89220f0531b81b9937439ac80a3bdde3 [0,1,0,0,0,1|2,0,0]=4 222 B13R1.86 CCC(CC)N(C)c1ccccc1 dae449e33937ee3442342037e2fa8253 [0,1,0,0,0,1|2,0,0]=4 223 B13R1.145 CCC(CC)Nc1ccc(cc1)Br 584ef01218a1306d0fc6c365572d74c2 [0,1,0,0,0,1|2,0,0]=4 224 B13R1.145 CCC(CC)Nc1ccc(cc1)C 2729ce8c68f28fa7a72bc72a9dc24bb6 [0,1,0,0,0,1|2,0,0]=4 225 B13R1.145 CCC(CC)Nc1ccc(cc1)Cl 04c36f33db641175107fe99f1555c391 [0,1,0,0,0,1|2,0,0]=4 226 B13R1.145 CCC(CC)Nc1ccc(cc1)F f1730c6501eca9af797c7680efb87c27 [0,1,0,0,0,1|2,0,0]=4 227 B13R1.145 CCC(CC)Nc1ccc(cc1)I 3aba31a63977e0b25e662b618f98b7e9 [0,1,0,0,0,1|2,0,0]=4 228 B13R1.145 CCC(CC)Nc1ccc(cc1)S bc3ba7ba33d3314f85c5e96498d32d46 [0,1,0,0,0,1|2,0,0]=4 229 B13R1.145 CCC(CC)Oc1ccc(cc1)Br 383962123cfe4751ca419c228624df88 [0,1,0,0,0,1|2,0,0]=4 230 B13R1.145 CCC(CC)Oc1ccc(cc1)C e626b5045af75588a07745990470ef48 [0,1,0,0,0,1|2,0,0]=4 231 B13R1.145 CCC(CC)Oc1ccc(cc1)Cl ad09fcc29bc86a4a8b99ab28d2e23163 [0,1,0,0,0,1|2,0,0]=4 232 B13R1.145 CCC(CC)Oc1ccc(cc1)F 41f1234877ff8a18676ba9f5fc67af3c [0,1,0,0,0,1|2,0,0]=4 233 B13R1.145 CCC(CC)Oc1ccc(cc1)I 360d863f7dc2b01e1d1a7778f4c1c1f4 [0,1,0,0,0,1|2,0,0]=4 234 B13R1.145 CCC(CC)Oc1ccc(cc1)S 23f8ac9087b35152715279d17a618f6c [0,1,0,0,0,1|2,0,0]=4 235 B13R1.146 CCC(CC)Nc1cccc(c1)Br 0c12109bb8c4b7e95ac57a487481c3ec [0,1,0,0,0,1|2,0,0]=4 236 B13R1.146 CCC(CC)Nc1cccc(c1)C 6c28b34358666c89cba27bb07ada799c [0,1,0,0,0,1|2,0,0]=4 237 B13R1.146 CCC(CC)Nc1cccc(c1)Cl 862e6e77bbe6da3d627dabb40477d789 [0,1,0,0,0,1|2,0,0]=4 238 B13R1.146 CCC(CC)Nc1cccc(c1)F c2e7fb1f5f5bb9db7ce1606c9f547914 [0,1,0,0,0,1|2,0,0]=4 239 B13R1.146 CCC(CC)Nc1cccc(c1)I 5b9b7652818391ca64f3f4f438b8dec5 [0,1,0,0,0,1|2,0,0]=4 240 B13R1.146 CCC(CC)Nc1cccc(c1)S 051dbe894a4bef9ee3a2dbad86522db3 [0,1,0,0,0,1|2,0,0]=4 241 B13R1.146 CCC(CC)Oc1cccc(c1)Br f6e4b7e444506b7c0642c77cb17fce58 [0,1,0,0,0,1|2,0,0]=4 242 B13R1.146 CCC(CC)Oc1cccc(c1)C ebdc2e68d0ea506a7f6cddea9e7f12db [0,1,0,0,0,1|2,0,0]=4 243 B13R1.146 CCC(CC)Oc1cccc(c1)Cl 5b0a02f87d02476492f9d6f237825874 [0,1,0,0,0,1|2,0,0]=4 244 B13R1.146 CCC(CC)Oc1cccc(c1)F 570d3a5cd11cebcd1d287c90ca141613 [0,1,0,0,0,1|2,0,0]=4 245 B13R1.146 CCC(CC)Oc1cccc(c1)I d7fd320df47b28cc1ea84797efecb161 [0,1,0,0,0,1|2,0,0]=4 246 B13R1.146 CCC(CC)Oc1cccc(c1)S 00ffdd712466e12b2b455b2317184c5a [0,1,0,0,0,1|2,0,0]=4 247 B13R1.335 CCC(CC)Oc1ccccc1C cfe2d073769b2efec27e193f329f1c99 [0,1,0,0,0,1|2,0,0]=4 248 B13R1.335 CCC(CC)Oc1ccccc1Cl 9208b077ee198a45844c4bed8cecae26 [0,1,0,0,0,1|2,0,0]=4 249 B13R1.335 CCC(CC)Oc1ccccc1F b7ccc5adba6a669879bae26724e063ae [0,1,0,0,0,1|2,0,0]=4 250 B13R1.335 CCC(CC)Oc1ccccc1I 20387b7e79c179ad33e92898173b00fc [0,1,0,0,0,1|2,0,0]=4 251 B13R1.418 CCC(Nc1ccccc1)C(C)C a8808ebc56c894f8959c32308259e6bf [0,1,0,0,0,1|2,0,0]=4 252 B13R1.418 CC[C@@H](Nc1ccccc1)[C@@H](C)O 624d8b099abf238aa44189d4ae4ade73 [0,1,0,0,0,1|2,0,0]=4 253 B13R1.418 CC[C@@H](Nc1ccccc1)[C@H](C)O 3a226f44fdf073bf50e1ca90a2c33504 [0,1,0,0,0,1|2,0,0]=4 254 B13R1.418 CC[C@H](Nc1ccccc1)[C@@H](C)O 703f4981104daad6436cb566226f9207 [0,1,0,0,0,1|2,0,0]=4 255 B13R1.3080 CCC(C)(CC)Nc1ccccc1 e6f31f88c01ad7aa78c06b7fafc185d9 [0,1,0,0,0,1|2,0,0]=4 256 B13R1.1 C#CC(OCC)c1ccc(cc1)C 5529e146080bd4a62299519cb7fc1854 [0,2,0,0,0,0|1,0,1]=4 257 B13R1.1 C#CC(OCC)c1ccc(cc1)Cl b777b376c1c975931e4676e098f0a7d5 [0,2,0,0,0,0|1,0,1]=4 258 B13R1.1 C#CC(OCC)c1ccc(cc1)F 9d3d42ea17795f9189f725b43c1000cf [0,2,0,0,0,0|1,0,1]=4 259 B13R1.1 C#CC(OCF)c1ccc(cc1)Br 7d94cb9c2683171dc167d910df131622 [0,2,0,0,0,0|1,0,1]=4 260 B13R1.1 C#CC(OCF)c1ccc(cc1)C 15265ec3793fdef031b35af2b14ed81e [0,2,0,0,0,0|1,0,1]=4 261 B13R1.1 C#CC(OCF)c1ccc(cc1)Cl b11dfac54a912eb25491e209c50ecef5 [0,2,0,0,0,0|1,0,1]=4 262 B13R1.1 C#CC(OCF)c1ccc(cc1)F dc65091e8d43bd61f500fdf291fa5083 [0,2,0,0,0,0|1,0,1]=4 263 B13R1.1 C=CC(OCC)c1ccc(cc1)Br a9eec5cd12572f04a8cb96a4c8683cac [0,2,0,0,0,0|1,0,1]=4 264 B13R1.1 C=CC(OCC)c1ccc(cc1)C 4da452b1a0998305408e6ed19ee6e82e [0,2,0,0,0,0|1,0,1]=4 265 B13R1.1 C=CC(OCC)c1ccc(cc1)Cl 785008499fca1873e4546dfcce29965f [0,2,0,0,0,0|1,0,1]=4 266 B13R1.1 C=CC(OCC)c1ccc(cc1)F 99efc6806671eeb738211e2f2fc7062b [0,2,0,0,0,0|1,0,1]=4 267 B13R1.1 C=CC(OCF)c1ccc(cc1)Br 3a63ccb7b186679252be6033ee8e483f [0,2,0,0,0,0|1,0,1]=4 268 B13R1.1 C=CC(OCF)c1ccc(cc1)C af06e94e815895df591aace02c182c33 [0,2,0,0,0,0|1,0,1]=4 269 B13R1.1 C=CC(OCF)c1ccc(cc1)Cl 1763abe2fe17aa200b9733dd0e0533ac [0,2,0,0,0,0|1,0,1]=4 270 B13R1.1 C=CC(OCF)c1ccc(cc1)F f539303ac2d23039fe6378b00831efbf [0,2,0,0,0,0|1,0,1]=4 271 B13R1.1 CCC(NCF)c1ccc(cc1)Br b52c97083be878cae0cccf041f3c4049 [0,2,0,0,0,0|2,0,0]=4 272 B13R1.1 CCC(NCF)c1ccc(cc1)C bdf3eb5d9ea5d4f10b975ff6e8ef1821 [0,2,0,0,0,0|2,0,0]=4 273 B13R1.1 CCC(NCF)c1ccc(cc1)Cl 3af569048add52ee0392d3ec595b8a69 [0,2,0,0,0,0|2,0,0]=4 274 B13R1.1 CCC(NCF)c1ccc(cc1)F 8856736d78009303374d68844b6a2516 [0,2,0,0,0,0|2,0,0]=4 275 B13R1.1 CCC(NCO)c1ccc(cc1)Br 8ab1cbfde93da4d69cb947a99067ddd2 [0,2,0,0,0,0|2,0,0]=4 276 B13R1.1 CCC(NCO)c1ccc(cc1)C a4d1cb6b5dcd438caa217a5dbf154987 [0,2,0,0,0,0|2,0,0]=4 277 B13R1.1 CCC(NCO)c1ccc(cc1)Cl f8e2a230cb6af68015c300fe68c47891 [0,2,0,0,0,0|2,0,0]=4 278 B13R1.1 CCC(NCO)c1ccc(cc1)F 30c3cf3fc014ee7e75310345f9352536 [0,2,0,0,0,0|2,0,0]=4 279 B13R1.1 CCC(OCF)c1ccc(cc1)Br 6ed0716ce2804288a3628dc201108667 [0,2,0,0,0,0|1,0,0]=3 280 B13R1.1 CCC(OCF)c1ccc(cc1)C f018ea3df9daa5e5c4c5c4f5469b248e [0,2,0,0,0,0|1,0,0]=3 281 B13R1.1 CCC(OCF)c1ccc(cc1)Cl 71d4da3cf32fbf7af8174f38f6ea2f36 [0,2,0,0,0,0|1,0,0]=3 282 B13R1.1 CCC(OCF)c1ccc(cc1)F 48c2a6f62e62dd447ff972b9e55c3b91 [0,2,0,0,0,0|1,0,0]=3 283 B13R1.1 CCC(OCF)c1ccc(cc1)I 60992043e07b0d749e6f9dbeaa7e9236 [0,2,0,0,0,0|1,0,0]=3 284 B13R1.1 CCN(COC)c1ccc(cc1)C 1e4fec6e857f6845dfdc0a396ff1ca26 [0,2,0,0,0,0|2,0,0]=4 285 B13R1.1 CCN(COC)c1ccc(cc1)F 66cee2b026e0ad07de8067350e9b44f7 [0,2,0,0,0,0|2,0,0]=4 286 B13R1.1 CCNC(CC)c1ccc(cc1)Br 16bd1bd2c00d890eb6d18a8f9f30f5c3 [0,2,0,0,0,0|2,0,0]=4 287 B13R1.1 CCNC(CC)c1ccc(cc1)C b3ab72cde68758f9b3c9da03e61e928a [0,2,0,0,0,0|2,0,0]=4 288 B13R1.1 CCNC(CC)c1ccc(cc1)Cl d545652b9b7b1da092d98f7ba6d7e92d [0,2,0,0,0,0|2,0,0]=4 289 B13R1.1 CCNC(CC)c1ccc(cc1)F c8d43b615fc82fa75349138957b2bc09 [0,2,0,0,0,0|2,0,0]=4 290 B13R1.1 CCN[C@@H](CC)c1ccc(cc1)Br 543903eb7cade54652ebd161aa6315c0 [0,2,0,0,0,0|2,0,0]=4 291 B13R1.1 CCN[C@@H](CC)c1ccc(cc1)Cl 251c7327239f6860b518ca41e935ec12 [0,2,0,0,0,0|2,0,0]=4 292 B13R1.1 CCN[C@@H](CC)c1ccc(cc1)F a2e94a235f5895beccee927e474a7fde [0,2,0,0,0,0|2,0,0]=4 293 B13R1.1 CCN[C@H](CC)c1ccc(cc1)Br 5c919db8ea36d7bcf3cb587c71ec38a6 [0,2,0,0,0,0|2,0,0]=4 294 B13R1.1 CCN[C@H](CC)c1ccc(cc1)Cl de4f023149dc328e70d11c4eff63c261 [0,2,0,0,0,0|2,0,0]=4 295 B13R1.1 CCN[C@H](CC)c1ccc(cc1)F a9bf5f750f8d69d574f3ae3ec9cdec21 [0,2,0,0,0,0|2,0,0]=4 296 B13R1.1 CCOC(CC)c1ccc(cc1)Br f4fe05b72dbbc19392aad196ab548087 [0,2,0,0,0,0|1,0,0]=3 297 B13R1.1 CCOC(CC)c1ccc(cc1)C 854c918b158e6e24a34f5b6db55af151 [0,2,0,0,0,0|1,0,0]=3 298 B13R1.1 CCOC(CC)c1ccc(cc1)Cl 0528673a6c58b56813049e134438b6e6 [0,2,0,0,0,0|1,0,0]=3 299 B13R1.1 CCOC(CC)c1ccc(cc1)F 0ded9bbfad64296012ad229099e3e6f1 [0,2,0,0,0,0|1,0,0]=3 300 B13R1.1 CCOC(CC)c1ccc(cc1)I e79029c150d780c77b74df7cc6f83455 [0,2,0,0,0,0|1,0,0]=3 301 B13R1.1 CCO[C@@H](C#N)c1ccc(cc1)C 28c1a6855d2b639435be220e1b64b364 [0,2,0,0,0,0|2,0,0]=4 302 B13R1.1 CCO[C@@H](CC)c1ccc(cc1)F 6362be18a7429651ca9c279b2ca8ecc2 [0,2,0,0,0,0|1,0,0]=3 303 B13R1.1 CC[C@@H](NCF)c1ccc(cc1)Br bc539dd3ebabd5d669aef2b82c905f8b [0,2,0,0,0,0|2,0,0]=4 304 B13R1.1 CC[C@@H](NCF)c1ccc(cc1)Cl d6f7b335bc98e85c35ac83978e2a572d [0,2,0,0,0,0|2,0,0]=4 305 B13R1.1 CC[C@@H](NCF)c1ccc(cc1)F 5b4950b1b0f4da6f9a22d6f4691fdff6 [0,2,0,0,0,0|2,0,0]=4 306 B13R1.1 CC[C@@H](NCO)c1ccc(cc1)Br bc58c1e3f96816d090bf95d6453615e4 [0,2,0,0,0,0|2,0,0]=4 307 B13R1.1 CC[C@@H](NCO)c1ccc(cc1)Cl b97e38064b72650a801ccc34772347b6 [0,2,0,0,0,0|2,0,0]=4 308 B13R1.1 CC[C@@H](NCO)c1ccc(cc1)F 38eb98e847e2347dbe64e8c6a81865ff [0,2,0,0,0,0|2,0,0]=4 309 B13R1.1 CC[C@H](NCF)c1ccc(cc1)Br 02902eb863a791680d6e8da1561d0ed9 [0,2,0,0,0,0|2,0,0]=4 310 B13R1.1 CC[C@H](NCF)c1ccc(cc1)Cl a70981dc994b5ff71dd3401f607dae4f [0,2,0,0,0,0|2,0,0]=4 311 B13R1.1 CC[C@H](NCF)c1ccc(cc1)F 7f32f2907fa99a3358fcd5b27441e5ed [0,2,0,0,0,0|2,0,0]=4 312 B13R1.1 CC[C@H](NCO)c1ccc(cc1)Br 1abb9c1ae398d4b3387709617f857b49 [0,2,0,0,0,0|2,0,0]=4 313 B13R1.1 CC[C@H](NCO)c1ccc(cc1)Cl 57e2cee79aca9198fd998af3eedf283b [0,2,0,0,0,0|2,0,0]=4 314 B13R1.1 CC[C@H](NCO)c1ccc(cc1)F 5e87579e655cac8669a55de38be9a588 [0,2,0,0,0,0|2,0,0]=4 315 B13R1.1 CC[C@H](OCF)c1ccc(cc1)F 6062723005cbe62e11d3eaeb56cb9f90 [0,2,0,0,0,0|1,0,0]=3 316 B13R1.1 Cc1ccc(cc1)[C@H](C#N)OCF 0c3758bec0bf3405a89c8e734ab4c96c [0,2,0,0,0,0|2,0,0]=4 317 B13R1.1 N#CC(OCF)c1ccc(cc1)Br b08bcb2645339180f09370703c33d186 [0,2,0,0,0,0|2,0,0]=4 318 B13R1.2 C#CC(OCC)c1cccc(c1)Br 037ebe8ea32150246283f8fafaf9917f [0,2,0,0,0,0|1,0,1]=4 319 B13R1.2 C#CC(OCC)c1cccc(c1)C bf1fe65f8789562ff66ccb58277d131d [0,2,0,0,0,0|1,0,1]=4 320 B13R1.2 C#CC(OCC)c1cccc(c1)Cl b74c4dc61cf693a676f1a85cc905b5ad [0,2,0,0,0,0|1,0,1]=4 321 B13R1.2 C#CC(OCC)c1cccc(c1)F 12712e33a8e5d23e6bc3dba65174c216 [0,2,0,0,0,0|1,0,1]=4 322 B13R1.2 C#CC(OCF)c1cccc(c1)Br dbd1daed11bae5f0a1564a56c0cc6d7f [0,2,0,0,0,0|1,0,1]=4 323 B13R1.2 C#CC(OCF)c1cccc(c1)C 915e3862dbc8bc65da54b3dd1034ffdd [0,2,0,0,0,0|1,0,1]=4 324 B13R1.2 C#CC(OCF)c1cccc(c1)Cl febc81648555be4bc6ac062585f769c6 [0,2,0,0,0,0|1,0,1]=4 325 B13R1.2 C#CC(OCF)c1cccc(c1)F a01d682f17047a3294a927e4f9227a1a [0,2,0,0,0,0|1,0,1]=4 326 B13R1.2 C=CC(OCC)c1cccc(c1)Cl a65165120c7d20b19c7b0fe496c3b71f [0,2,0,0,0,0|1,0,1]=4 327 B13R1.2 C=CC(OCC)c1cccc(c1)F 2aa2b43dff07844236e43c0661b0f8a2 [0,2,0,0,0,0|1,0,1]=4 328 B13R1.2 C=CC(OCF)c1cccc(c1)Cl 9661f82d40479c962825f7d791280c56 [0,2,0,0,0,0|1,0,1]=4 329 B13R1.2 C=CC(OCF)c1cccc(c1)F cedee7c5e0733f018ddbce17e695b43a [0,2,0,0,0,0|1,0,1]=4 330 B13R1.2 CCC(NCF)c1cccc(c1)Br e41b8580c84c09f9631c8e3edfce3c4f [0,2,0,0,0,0|2,0,0]=4 331 B13R1.2 CCC(NCF)c1cccc(c1)C 6511ffd9495eca8190d096af314fab66 [0,2,0,0,0,0|2,0,0]=4 332 B13R1.2 CCC(NCF)c1cccc(c1)Cl 545e5840e7e5b01729098ee274f4c553 [0,2,0,0,0,0|2,0,0]=4 333 B13R1.2 CCC(NCF)c1cccc(c1)F 0d7b06c37d371fe6ff9bd3f22a1b3f46 [0,2,0,0,0,0|2,0,0]=4 334 B13R1.2 CCC(NCO)c1cccc(c1)Br fd0024eeabca84091c9df83474bae119 [0,2,0,0,0,0|2,0,0]=4 335 B13R1.2 CCC(NCO)c1cccc(c1)C d6853938c709d51b22c65126be443c49 [0,2,0,0,0,0|2,0,0]=4 336 B13R1.2 CCC(NCO)c1cccc(c1)Cl 35a0f9520f4a9df428aabcee2aa54ad0 [0,2,0,0,0,0|2,0,0]=4 337 B13R1.2 CCC(NCO)c1cccc(c1)F 6b03b825ac591d72137c6b38a6be12d5 [0,2,0,0,0,0|2,0,0]=4 338 B13R1.2 CCC(OCF)c1cccc(c1)Br 26be9673cb8847c71527bef5035fc2e2 [0,2,0,0,0,0|1,0,0]=3 339 B13R1.2 CCC(OCF)c1cccc(c1)Cl 39417924a3130d7f82f3f520b7003033 [0,2,0,0,0,0|1,0,0]=3 340 B13R1.2 CCC(OCF)c1cccc(c1)F 42f13ab90ac02dabb0740f40c1ad297b [0,2,0,0,0,0|1,0,0]=3 341 B13R1.2 CCC(OCF)c1cccc(c1)I 548a0ee12f09208529b0b60f37a3d424 [0,2,0,0,0,0|1,0,0]=3 342 B13R1.2 CCC(OCF)c1ccnc(c1)Cl 4ba2f9b16e7a4ae00d9e52bdc176d04e [0,2,0,0,0,0|2,0,0]=4 343 B13R1.2 CCC(OCF)c1cncc(c1)Cl 41cb4aeba0247c6676be3b292187ae6d [0,2,0,0,0,0|2,0,0]=4 344 B13R1.2 CCC(OCF)c1cncc(c1)F e06399dfce827b553e8cdb7bb90dabb9 [0,2,0,0,0,0|2,0,0]=4 345 B13R1.2 CCN(COC)c1cccc(c1)Br 21e2e4fd83af18fcfe6efb0eda40f78d [0,2,0,0,0,0|2,0,0]=4 346 B13R1.2 CCN(COC)c1cccc(c1)Cl c4545c23a22ba49314d4af617a471349 [0,2,0,0,0,0|2,0,0]=4 347 B13R1.2 CCN(COC)c1cccc(c1)F f7a8c3ac1f65c69dd8e5aea82d5b0d8f [0,2,0,0,0,0|2,0,0]=4 348 B13R1.2 CCNC(CC)c1cccc(c1)Br 7630b6f307d9519abb01abcb25ac6dbf [0,2,0,0,0,0|2,0,0]=4 349 B13R1.2 CCNC(CC)c1cccc(c1)C ef09f60d769257267f5bf8b875c5d77c [0,2,0,0,0,0|2,0,0]=4 350 B13R1.2 CCNC(CC)c1cccc(c1)Cl 5b83f0b69f7e44376edbdc8bc5e5b1b1 [0,2,0,0,0,0|2,0,0]=4 351 B13R1.2 CCNC(CC)c1cccc(c1)F e3f17bad9bc258995bb7af65eaad8073 [0,2,0,0,0,0|2,0,0]=4 352 B13R1.2 CCN[C@@H](CC)c1cccc(c1)Br 521342c7af63c8e41384c5d9b4658744 [0,2,0,0,0,0|2,0,0]=4 353 B13R1.2 CCN[C@@H](CC)c1cccc(c1)Cl aef9d2fc55db3ea260bd6202fdb31684 [0,2,0,0,0,0|2,0,0]=4 354 B13R1.2 CCN[C@H](CC)c1cccc(c1)Br f902bd0038c268f6a58e38a6e02c3165 [0,2,0,0,0,0|2,0,0]=4 355 B13R1.2 CCN[C@H](CC)c1cccc(c1)C f32a4c1422455f027334c7eabef6d486 [0,2,0,0,0,0|2,0,0]=4 356 B13R1.2 CCN[C@H](CC)c1cccc(c1)Cl 125e6b3f45e5504b090600ca22813ba6 [0,2,0,0,0,0|2,0,0]=4 357 B13R1.2 CCN[C@H](CC)c1cccc(c1)F 8e0bab638cbb7bec5d353564f713f872 [0,2,0,0,0,0|2,0,0]=4 358 B13R1.2 CCOC(CC)c1cccc(c1)Br 68fceb128bfd5ca3125f6e1f7baf552a [0,2,0,0,0,0|1,0,0]=3 359 B13R1.2 CCOC(CC)c1cccc(c1)Cl c90fc2a3b5ef659e5d1d7fb45dcd5b87 [0,2,0,0,0,0|1,0,0]=3 360 B13R1.2 CCOC(CC)c1cccc(c1)F a508846380788000dca270ebc17b6672 [0,2,0,0,0,0|1,0,0]=3 361 B13R1.2 CCOC(CC)c1cccc(c1)I 3eb5001d1e6736af4af0ad1d51a9a664 [0,2,0,0,0,0|1,0,0]=3 362 B13R1.2 CCOC(CC)c1ccnc(c1)Cl 908dfef280dc7611d3d6dd5e854856b7 [0,2,0,0,0,0|2,0,0]=4 363 B13R1.2 CCOC(CC)c1cncc(c1)Cl 9620b26bd0e970f4ce47f6d4ace6dfe9 [0,2,0,0,0,0|2,0,0]=4 364 B13R1.2 CCOC(CC)c1cncc(c1)F 973e0d718b66f0e38523bd4360c85c2e [0,2,0,0,0,0|2,0,0]=4 365 B13R1.2 CC[C@@H](NCF)c1cccc(c1)Br cb6a2da60feced467d9a510b5c434e52 [0,2,0,0,0,0|2,0,0]=4 366 B13R1.2 CC[C@@H](NCF)c1cccc(c1)C dfd4efa81710c5c9a918f47ad5fd3c2e [0,2,0,0,0,0|2,0,0]=4 367 B13R1.2 CC[C@@H](NCF)c1cccc(c1)Cl 5b5b6f4a4a1ffda4fbaca69a6b34a35b [0,2,0,0,0,0|2,0,0]=4 368 B13R1.2 CC[C@@H](NCF)c1cccc(c1)F e571ce297220d7b0d81e31d6e557f25c [0,2,0,0,0,0|2,0,0]=4 369 B13R1.2 CC[C@@H](NCO)c1cccc(c1)Br 7d2eefae04abf90202f6da622aa109d4 [0,2,0,0,0,0|2,0,0]=4 370 B13R1.2 CC[C@@H](NCO)c1cccc(c1)C fdb23293447f7fb2a854b0ce4e8ffacc [0,2,0,0,0,0|2,0,0]=4 371 B13R1.2 CC[C@@H](NCO)c1cccc(c1)Cl fafd3e5ecb59b8b6d6d01eb25c375496 [0,2,0,0,0,0|2,0,0]=4 372 B13R1.2 CC[C@@H](NCO)c1cccc(c1)F ba4755498cbeb85b8f4a69415f4c2e5f [0,2,0,0,0,0|2,0,0]=4 373 B13R1.2 CC[C@H](NCF)c1cccc(c1)Br dae9748c47a463e9b0bb6ac4b13f1203 [0,2,0,0,0,0|2,0,0]=4 374 B13R1.2 CC[C@H](NCF)c1cccc(c1)Cl dd579db097c3172934f19e5dae9e9bcc [0,2,0,0,0,0|2,0,0]=4 375 B13R1.2 CC[C@H](NCO)c1cccc(c1)Br 9793fc256b07005515bb3b8cd8f8cef9 [0,2,0,0,0,0|2,0,0]=4 376 B13R1.2 CC[C@H](NCO)c1cccc(c1)Cl 29a56cb27b06cd5775e8b18a068882e6 [0,2,0,0,0,0|2,0,0]=4 377 B13R1.26 C#CC(OCC#N)c1ccccc1 d92d70029593a0ef642a6b8e4870bed1 [0,2,0,0,0,0|1,0,1]=4 378 B13R1.26 C#CC(OCC=C)c1ccccc1 366171498dcc90240c85525b4a59695c [0,2,0,0,0,0|1,0,1]=4 379 B13R1.26 C#CC(OCC=O)c1ccccc1 a8ac3be44208c473bb4e86f4074890ff [0,2,0,0,0,0|1,0,1]=4 380 B13R1.26 C#CC(OCCC)c1ccccc1 dcc288e8d190b4f2b3075024bd10290b [0,2,0,0,0,0|1,0,1]=4 381 B13R1.26 C#CC(OCCF)c1ccccc1 c0d69a1b33229c134f61a4086862ab8d [0,2,0,0,0,0|1,0,1]=4 382 B13R1.26 C#CC(OCCS)c1ccccc1 b0339b0abb17b91e22ea9e8de84398d5 [0,2,0,0,0,0|1,0,1]=4 383 B13R1.26 C#CC(OCSC)c1ccccc1 e4a6b44439eb8cacb5a93f84d72da357 [0,2,0,0,0,0|1,0,1]=4 384 B13R1.26 C#CCNC(CC)c1ccccc1 05a2b24499ca3a81d3311b4772e01eec [0,2,0,0,0,0|2,0,0]=4 385 B13R1.26 C#CCN[C@@H](CC)c1ccccc1 ca9e370b47f41abb7016c3ec4ad2c0b5 [0,2,0,0,0,0|2,0,0]=4 386 B13R1.26 C#CCN[C@H](CC)c1ccccc1 3ce7967e173271b3a12cbdf4917e9fa4 [0,2,0,0,0,0|2,0,0]=4 387 B13R1.26 C#CCOC(C#C)c1ccccc1 3242225468af49d2f2281780dc4b4417 [0,2,0,0,0,0|1,0,1]=4 388 B13R1.26 C#CCOC(C#N)c1ccccc1 70b511156731559011788fb1491607db [0,2,0,0,0,0|2,0,0]=4 389 B13R1.26 C#CCOC(C=C)c1ccccc1 0f20c0061032fee3bb66a543b144b921 [0,2,0,0,0,0|1,0,1]=4 390 B13R1.26 C#CCOC(CC)c1ccccc1 a6fc8f7a1a45ed2ab013e6373801e303 [0,2,0,0,0,0|1,0,0]=3 391 B13R1.26 C#CCOC(CF)c1ccccc1 64431b0970b179f772c7f5b477d0cbd3 [0,2,0,0,0,0|2,0,0]=4 392 B13R1.26 C#CCO[C@@H](C#C)c1ccccc1 772a6b6be163b981b1bf00a6ec8b8e2f [0,2,0,0,0,0|1,0,1]=4 393 B13R1.26 C#CCO[C@@H](C#N)c1ccccc1 f90f13b88bc2c92dfdc094d600fd87e1 [0,2,0,0,0,0|2,0,0]=4 394 B13R1.26 C#CCO[C@@H](CC)c1ccccc1 d970af0f14e770649c49bb2fc79410dd [0,2,0,0,0,0|1,0,0]=3 395 B13R1.26 C#CCO[C@H](C#C)c1ccccc1 b0d7d9375cce911a186edeecab84b2e7 [0,2,0,0,0,0|1,0,1]=4 396 B13R1.26 C#CCO[C@H](CC)c1ccccc1 95fca75cc64b279f8207a499fdcac2b8 [0,2,0,0,0,0|1,0,0]=3 397 B13R1.26 C#CCO[C@H](CF)c1ccccc1 5044dc2ee1e7caf84b56e27c10994aa6 [0,2,0,0,0,0|2,0,0]=4 398 B13R1.26 C#C[C@@H](OCC#N)c1ccccc1 e416a1df0dcdbb662a66755262f46977 [0,2,0,0,0,0|1,0,1]=4 399 B13R1.26 C#C[C@@H](OCC=C)c1ccccc1 594c84472fac33194b529f3db8076baf [0,2,0,0,0,0|1,0,1]=4 400 B13R1.26 C#C[C@@H](OCC=O)c1ccccc1 a399d1e389a0ba7e0ab1277b016ae351 [0,2,0,0,0,0|1,0,1]=4 401 B13R1.26 C#C[C@@H](OCCC)c1ccccc1 1273ce1ca3c01032ab728f040e8552b8 [0,2,0,0,0,0|1,0,1]=4 402 B13R1.26 C#C[C@@H](OCCF)c1ccccc1 83de9cadaa38a7c0a3ea2fc9aa74d42a [0,2,0,0,0,0|1,0,1]=4 403 B13R1.26 C#C[C@@H](OCCS)c1ccccc1 ef0e5c46efb9f9204428ca51ece91afb [0,2,0,0,0,0|1,0,1]=4 404 B13R1.26 C#C[C@@H](OCSC)c1ccccc1 86b34fa387f052529e3975673769eac2 [0,2,0,0,0,0|1,0,1]=4 405 B13R1.26 C#C[C@H](OCC#N)c1ccccc1 051f8f08a64a6968ff234e0bb163f267 [0,2,0,0,0,0|1,0,1]=4 406 B13R1.26 C#C[C@H](OCC=C)c1ccccc1 8a77856e5dbf664334cc930d599903b4 [0,2,0,0,0,0|1,0,1]=4 407 B13R1.26 C#C[C@H](OCC=O)c1ccccc1 4b225942e0ab818787950a42d0e78f93 [0,2,0,0,0,0|1,0,1]=4 408 B13R1.26 C#C[C@H](OCCC)c1ccccc1 d74d2dc3bc00f68b8403823299532818 [0,2,0,0,0,0|1,0,1]=4 409 B13R1.26 C#C[C@H](OCCF)c1ccccc1 aaf7399882230e6e76ac8d6f68c7765e [0,2,0,0,0,0|1,0,1]=4 410 B13R1.26 C#C[C@H](OCCS)c1ccccc1 895a192ca82279f0a4af220f340f9572 [0,2,0,0,0,0|1,0,1]=4 411 B13R1.26 C#C[C@H](OCSC)c1ccccc1 9b082c3de728aeec33cdd17a20c77f79 [0,2,0,0,0,0|1,0,1]=4 412 B13R1.26 C=CC(NCOC)c1ccccc1 f12e197e10ca910e28b3beab68f968d6 [0,2,0,0,0,0|1,0,1]=4 413 B13R1.26 C=CC(OCC#N)c1ccccc1 d60e8a5f32560f158cd65e6376b58b29 [0,2,0,0,0,0|1,0,1]=4 414 B13R1.26 C=CC(OCC=O)c1ccccc1 3364173dab13594f9815ed2014953bd0 [0,2,0,0,0,0|1,0,1]=4 415 B13R1.26 C=CC(OCCC)c1ccccc1 e2fdf572fe68a7b77d24fc77ef0e2376 [0,2,0,0,0,0|1,0,1]=4 416 B13R1.26 C=CC(OCCF)c1ccccc1 1835cebbaa0db970c2121092794b6605 [0,2,0,0,0,0|1,0,1]=4 417 B13R1.26 C=CC(OCCS)c1ccccc1 6c9b683acb1943cb78050b8625d9afe4 [0,2,0,0,0,0|1,0,1]=4 418 B13R1.26 C=CC(OCOC)c1ccccc1 09ad8e53bcc834634d9d5a3df1c61fe4 [0,2,0,0,0,0|1,0,1]=4 419 B13R1.26 C=CC(OCSC)c1ccccc1 3c6965b6a99176f98e49ae5cf9b26d8e [0,2,0,0,0,0|1,0,1]=4 420 B13R1.26 C=CCNC(CC)c1ccccc1 39ae4afe0f5979009e61cad5369e1e99 [0,2,0,0,0,0|2,0,0]=4 421 B13R1.26 C=CCN[C@@H](CC)c1ccccc1 65b3b177ff5ad11f7c1a568648f85431 [0,2,0,0,0,0|2,0,0]=4 422 B13R1.26 C=CCN[C@H](CC)c1ccccc1 73346a06b9cd674c3af0267751a0dc78 [0,2,0,0,0,0|2,0,0]=4 423 B13R1.26 C=CCOC(C#N)c1ccccc1 0e47a2201c96f3ec47716949a74f1607 [0,2,0,0,0,0|2,0,0]=4 424 B13R1.26 C=CCOC(C=C)c1ccccc1 67ac7f7f98ed3275c0c03cf28ec8e5b8 [0,2,0,0,0,0|1,0,1]=4 425 B13R1.26 C=CCOC(CC)c1ccccc1 7de1f62c2680919bccf9455a38cd5487 [0,2,0,0,0,0|1,0,0]=3 426 B13R1.26 C=CCOC(CF)c1ccccc1 529e07d09c3683a06c4a74d542d875c1 [0,2,0,0,0,0|2,0,0]=4 427 B13R1.26 C=CCOC(CS)c1ccccc1 7a4afbe163ca955f3b0d66e0226de073 [0,2,0,0,0,0|2,0,0]=4 428 B13R1.26 C=CCO[C@@H](C#N)c1ccccc1 5534c1f533cbb56daa8b491cfe442ae0 [0,2,0,0,0,0|2,0,0]=4 429 B13R1.26 C=CCO[C@@H](CC)c1ccccc1 9d203c9d49ee6e95dd5c3a11857451fc [0,2,0,0,0,0|1,0,0]=3 430 B13R1.26 C=CCO[C@H](CC)c1ccccc1 016e2b32220fbf5879a090e68c1fe7b4 [0,2,0,0,0,0|1,0,0]=3 431 B13R1.26 C=CCO[C@H](CF)c1ccccc1 aac4e812678c4489a54ba5422f7cb8e5 [0,2,0,0,0,0|2,0,0]=4 432 B13R1.26 C=C[C@@H](NCOC)c1ccccc1 427f1de340f907a09801c70ddbbdc467 [0,2,0,0,0,0|1,0,1]=4 433 B13R1.26 C=C[C@H](NCOC)c1ccccc1 dc142e520ed73efbabd33b4c70b1775d [0,2,0,0,0,0|1,0,1]=4 434 B13R1.26 CCC(COCF)c1ccccc1 53e24ac4c9a57eb55f1864138d111827 [0,2,0,0,0,0|1,0,0]=3 435 B13R1.26 CCC(COCF)c1ccccn1 d142a7df0a40c64834f31ced3e9d5453 [0,2,0,0,0,0|2,0,0]=4 436 B13R1.26 CCC(NCC#N)c1ccccc1 7c751601d323dd50fccb0e01f17f01f5 [0,2,0,0,0,0|2,0,0]=4 437 B13R1.26 CCC(NCC=O)c1ccccc1 95f0712696bae22d12c6f2f89a4ab0af [0,2,0,0,0,0|2,0,0]=4 438 B13R1.26 CCC(NCCBr)c1ccccc1 a495e817d218dc7813e781deb4c06a23 [0,2,0,0,0,0|2,0,0]=4 439 B13R1.26 CCC(NCCF)c1ccccc1 fb170fdbae56f1668cb23b55fcc42587 [0,2,0,0,0,0|2,0,0]=4 440 B13R1.26 CCC(NCCI)c1ccccc1 41bf0f90427caf46fcc9c623527c33e0 [0,2,0,0,0,0|2,0,0]=4 441 B13R1.26 CCC(NCCO)c1ccccc1 6f6ce25867b2a64da2a726b2cd5981a0 [0,2,0,0,0,0|2,0,0]=4 442 B13R1.26 CCC(NCCS)c1ccccc1 5e498a177f0cd8dee91132089099bb2a [0,2,0,0,0,0|2,0,0]=4 443 B13R1.26 CCC(NCOC)c1ccccc1 60e43859e010152a4c705144601e9e37 [0,2,0,0,0,0|1,0,0]=3 444 B13R1.26 CCC(NCOC)c1ccccn1 50ea25fb4b9ed83f99697ead78b45126 [0,2,0,0,0,0|2,0,0]=4 445 B13R1.26 CCC(NCOC)c1cccnc1 afea20d419da3aadc6d6fb49080601e1 [0,2,0,0,0,0|2,0,0]=4 446 B13R1.26 CCC(NCOC)c1ccncc1 fea97672b5a23931ddce673ecbc75332 [0,2,0,0,0,0|2,0,0]=4 447 B13R1.26 CCC(NCSC)c1ccccc1 43bda086655251f5ebf109c6a7aea714 [0,2,0,0,0,0|1,1,0]=4 448 B13R1.26 CCC(OCC#N)c1ccccc1 bc4d89bf6d161deade8c190c1f9b5fae [0,2,0,0,0,0|1,0,0]=3 449 B13R1.26 CCC(OCC=O)c1ccccc1 22d631f4381eac13072af35245e75c82 [0,2,0,0,0,0|1,0,0]=3 450 B13R1.26 CCC(OCCF)c1ccccc1 5bb9124b9ef37aaf6a1284fe60a908d5 [0,2,0,0,0,0|1,0,0]=3 451 B13R1.26 CCC(OCCS)c1ccccc1 68bf3b4fd79a862466b9d344b2738804 [0,2,0,0,0,0|1,0,0]=3 452 B13R1.26 CCC(OCOC)c1ccccc1 f775411a5055d114a8235f46674da3cc [0,2,0,0,0,0|1,0,0]=3 453 B13R1.26 CCC(OCSC)c1ccccc1 9b96192dd1c6c8870f52b18d100fe29a [0,2,0,0,0,0|1,0,0]=3 454 B13R1.26 CCCNC(CC)c1ccccc1 57b82492286db168151e193d20f7132d [0,2,0,0,0,0|2,0,0]=4 455 B13R1.26 CCCN[C@@H](CC)c1ccccc1 b6f2cf87f587029f64d67b4f4bbd957c [0,2,0,0,0,0|2,0,0]=4 456 B13R1.26 CCCN[C@H](CC)c1ccccc1 b5dfa6c7f63b627d52458b08bd2cf253 [0,2,0,0,0,0|2,0,0]=4 457 B13R1.26 CCCOC(C#N)c1ccccc1 d5acd267bdbb34561413331016f8aa92 [0,2,0,0,0,0|2,0,0]=4 458 B13R1.26 CCCOC(CC)c1ccccc1 386e882a562a78a36cb1f7db4b9582fe [0,2,0,0,0,0|1,0,0]=3 459 B13R1.26 CCCOC(CF)c1ccccc1 778fa439d34b8cf619166518cbc4be13 [0,2,0,0,0,0|2,0,0]=4 460 B13R1.26 CCCO[C@@H](C#N)c1ccccc1 1de7e66b61bda39f65b117aa9042d733 [0,2,0,0,0,0|2,0,0]=4 461 B13R1.26 CCCO[C@@H](CC)c1ccccc1 d141b7596330092af1578ccdeb86f1c9 [0,2,0,0,0,0|1,0,0]=3 462 B13R1.26 CCCO[C@H](CC)c1ccccc1 2d89d74041ebd27623bd5bbb107e0a8b [0,2,0,0,0,0|1,0,0]=3 463 B13R1.26 CCCO[C@H](CF)c1ccccc1 95b4751da110bf096d4694ac905ea12a [0,2,0,0,0,0|2,0,0]=4 464 B13R1.26 CCN(CCOC)c1ccccc1 2f04832ff10cabe399139a1d6ef2ae28 [0,2,0,0,0,0|2,0,0]=4 465 B13R1.26 CCOCC(C#N)c1ccccc1 b8d6824b68de6c7bd4674c9dd20b24bc [0,2,0,0,0,0|2,0,0]=4 466 B13R1.26 CCOCC(CC)c1ccccc1 bbe4e3553f9e2e9733717aa13f476854 [0,2,0,0,0,0|1,0,0]=3 467 B13R1.26 CCOCC(CC)c1ccccn1 5466e9a0490487ca7280fc5da4a3dcd8 [0,2,0,0,0,0|2,0,0]=4 468 B13R1.26 CCOCC(OC)c1ccccc1 c58305f87ed21f5c0d8dc203586fba37 [0,2,0,0,0,0|0,0,0]=2 469 B13R1.26 CCOC[C@H](OC)c1ccccc1 990c6077184864a7e47e982f06ad42df [0,2,0,0,0,0|0,0,0]=2 470 B13R1.26 CC[C@@H](NCC#N)c1ccccc1 51093c3d26cc2bf78fe4db9fbfa82eb9 [0,2,0,0,0,0|2,0,0]=4 471 B13R1.26 CC[C@@H](NCC=O)c1ccccc1 3d1ae1dfcea40d314ce7e328dc316861 [0,2,0,0,0,0|2,0,0]=4 472 B13R1.26 CC[C@@H](NCCF)c1ccccc1 e7abb0db27777e6c9d89ffa71ffc8212 [0,2,0,0,0,0|2,0,0]=4 473 B13R1.26 CC[C@@H](NCCO)c1ccccc1 b308386d8bed8dbbab22b47a4331c4c2 [0,2,0,0,0,0|2,0,0]=4 474 B13R1.26 CC[C@@H](NCCS)c1ccccc1 efbcd1e5b3838ae21016feee83c59b4c [0,2,0,0,0,0|2,0,0]=4 475 B13R1.26 CC[C@@H](NCOC)c1ccccc1 918444429aba744416aef0f4b29c200d [0,2,0,0,0,0|1,0,0]=3 476 B13R1.26 CC[C@@H](NCOC)c1ccccn1 86f58128c2b85426cfe87f539fc9047e [0,2,0,0,0,0|2,0,0]=4 477 B13R1.26 CC[C@@H](NCSC)c1ccccc1 97c862d4eda53bbf7299ab22a46a9749 [0,2,0,0,0,0|1,1,0]=4 478 B13R1.26 CC[C@@H](OCC#N)c1ccccc1 f155cafcc94ad4739658b5579e227d33 [0,2,0,0,0,0|1,0,0]=3 479 B13R1.26 CC[C@@H](OCC=O)c1ccccc1 ff4d6fdd39d62cd4dd5fbc1780fcd463 [0,2,0,0,0,0|1,0,0]=3 480 B13R1.26 CC[C@@H](OCCF)c1ccccc1 72c3f45d58b4d36ff1ba570cf30b2c42 [0,2,0,0,0,0|1,0,0]=3 481 B13R1.26 CC[C@@H](OCCS)c1ccccc1 a6b9ad7d342b6e8f61dca8e38762359f [0,2,0,0,0,0|1,0,0]=3 482 B13R1.26 CC[C@@H](OCOC)c1ccccc1 4b633f127bf76346ce097d6ac89ac8fd [0,2,0,0,0,0|1,0,0]=3 483 B13R1.26 CC[C@@H](OCSC)c1ccccc1 8b80790882f9347d156804e1595be36e [0,2,0,0,0,0|1,0,0]=3 484 B13R1.26 CC[C@H](NCC#N)c1ccccc1 d0db7b96b91cff7df5635c7717bc480f [0,2,0,0,0,0|2,0,0]=4 485 B13R1.26 CC[C@H](NCC=O)c1ccccc1 33e6c884e365733829f389a52f4be184 [0,2,0,0,0,0|2,0,0]=4 486 B13R1.26 CC[C@H](NCCF)c1ccccc1 02383b94df948647add879050375728c [0,2,0,0,0,0|2,0,0]=4 487 B13R1.26 CC[C@H](NCCO)c1ccccc1 bd38bbf59fb08005243376b12639a639 [0,2,0,0,0,0|2,0,0]=4 488 B13R1.26 CC[C@H](NCCS)c1ccccc1 006b8e7ea5bb1bc1c66fd9e1f7b16f22 [0,2,0,0,0,0|2,0,0]=4 489 B13R1.26 CC[C@H](NCOC)c1ccccc1 872d56e21abb248779575e61d0dc78b2 [0,2,0,0,0,0|1,0,0]=3 490 B13R1.26 CC[C@H](NCOC)c1ccccn1 9572c1c24ab533fa5af7e192936be7ab [0,2,0,0,0,0|2,0,0]=4 491 B13R1.26 CC[C@H](NCOC)c1ccncc1 cd44912324853a0acf2d10f5098d3321 [0,2,0,0,0,0|2,0,0]=4 492 B13R1.26 CC[C@H](NCSC)c1ccccc1 4e4afdd2b51b96a25cc6ac26c27e6843 [0,2,0,0,0,0|1,1,0]=4 493 B13R1.26 CC[C@H](OCC#N)c1ccccc1 4c48e2ae28519fb46eb29d130b4ef908 [0,2,0,0,0,0|1,0,0]=3 494 B13R1.26 CC[C@H](OCC=O)c1ccccc1 151015fabcf1f0f05e31ab274278f1ef [0,2,0,0,0,0|1,0,0]=3 495 B13R1.26 CC[C@H](OCCF)c1ccccc1 da6d683a0fb694a10f2c98bb47edfc99 [0,2,0,0,0,0|1,0,0]=3 496 B13R1.26 CC[C@H](OCCS)c1ccccc1 10b38911a5a30799f51b85b1590e8fc7 [0,2,0,0,0,0|1,0,0]=3 497 B13R1.26 CC[C@H](OCOC)c1ccccc1 2766737079469ae997e70530807e8d85 [0,2,0,0,0,0|1,0,0]=3 498 B13R1.26 CC[C@H](OCSC)c1ccccc1 668ed291c9eafa17e55c61ff024199aa [0,2,0,0,0,0|1,0,0]=3 499 B13R1.26 COC(COCF)c1ccccc1 4c5c2a8d5e9e508297addc9aa9ba622b [0,2,0,0,0,0|0,0,0]=2 500 B13R1.26 COCNC(C#N)c1ccccc1 6c1d65ee1711cecff739dec1f25981ce [0,2,0,0,0,0|2,0,0]=4 501 B13R1.26 COCNC(CO)c1ccccc1 a87e140ba910236d8a8b6e7fbb6a849f [0,2,0,0,0,0|2,0,0]=4 502 B13R1.26 COCN[C@@H](CF)c1ccccc1 9bc7abb930fd1a8af02ab84af3686eaf [0,2,0,0,0,0|2,0,0]=4 503 B13R1.26 COCN[C@@H](CO)c1ccccc1 88b9d55b154b976235c9a2b3149fa190 [0,2,0,0,0,0|2,0,0]=4 504 B13R1.26 COCN[C@H](CO)c1ccccc1 5415136c8a9836c07d6e579cdd76853f [0,2,0,0,0,0|2,0,0]=4 505 B13R1.26 COCOC(C#N)c1ccccc1 5077b6c0191f5b3c74475ac127ee21d4 [0,2,0,0,0,0|2,0,0]=4 506 B13R1.26 COCOC(CF)c1ccccc1 8801fb34d98757ebd3c36999d840490e [0,2,0,0,0,0|2,0,0]=4 507 B13R1.26 COCO[C@@H](C#N)c1ccccc1 6fa3f704e532d0f967ed263cff32ebc7 [0,2,0,0,0,0|2,0,0]=4 508 B13R1.26 COCO[C@H](CF)c1ccccc1 17d411770c823149db6cb6c615a4e300 [0,2,0,0,0,0|2,0,0]=4 509 B13R1.26 CO[C@@H](COCF)c1ccccc1 37676f4079ef7f9e9b2a2a18f5ca4f03 [0,2,0,0,0,0|0,0,0]=2 510 B13R1.26 CSCOC(C#N)c1ccccc1 788ab91820fcfedcb9d5917bdfb1262c [0,2,0,0,0,0|2,0,0]=4 511 B13R1.26 CSCOC(CF)c1ccccc1 f5e82a8e77bf56f3695c2bf7f773717f [0,2,0,0,0,0|2,0,0]=4 512 B13R1.26 CSCO[C@@H](C#N)c1ccccc1 869b9ee93de92babab896c00200d5c21 [0,2,0,0,0,0|2,0,0]=4 513 B13R1.26 CSCO[C@H](CF)c1ccccc1 497fafbd85c31d2f9db702e24b309f85 [0,2,0,0,0,0|2,0,0]=4 514 B13R1.26 FCC(OCCS)c1ccccc1 f14128ab74a731ffe2db33f9a17766b0 [0,2,0,0,0,0|2,0,0]=4 515 B13R1.26 FCCOC(CF)c1ccccc1 df9286c85f4065f9a35afcbbea9feeae [0,2,0,0,0,0|2,0,0]=4 516 B13R1.26 FCCO[C@H](CF)c1ccccc1 9957d8d4e96c7f4027257ae5a09c0d92 [0,2,0,0,0,0|2,0,0]=4 517 B13R1.26 FC[C@@H](OCCS)c1ccccc1 4da4cfa247a5fc6e4fcd193056ba2da9 [0,2,0,0,0,0|2,0,0]=4 518 B13R1.26 N#CC(COCF)c1ccccc1 e92ad80c82ef9f5a5760c0a621e3f0c1 [0,2,0,0,0,0|2,0,0]=4 519 B13R1.26 N#CC(OCC=O)c1ccccc1 240ebe24472510b54ca90630e7cf49b3 [0,2,0,0,0,0|2,0,0]=4 520 B13R1.26 N#CC(OCCF)c1ccccc1 27240763403a4cdcf3ce004025920d50 [0,2,0,0,0,0|2,0,0]=4 521 B13R1.26 N#CC(OCCS)c1ccccc1 9012617e72972f85a0feb6d172b35e61 [0,2,0,0,0,0|2,0,0]=4 522 B13R1.26 N#CCOC(C#N)c1ccccc1 beff14812ea9036d93aa55e86051e8bb [0,2,0,0,0,0|2,0,0]=4 523 B13R1.26 N#CCOC(CF)c1ccccc1 0be322228e533516181edbeaf9365684 [0,2,0,0,0,0|2,0,0]=4 524 B13R1.26 N#CCO[C@@H](C#N)c1ccccc1 ffc4b5be76f87fbd68c136a85829bdee [0,2,0,0,0,0|2,0,0]=4 525 B13R1.26 N#CCO[C@H](CF)c1ccccc1 49d00f0c9172e15413d42268b9e676d0 [0,2,0,0,0,0|2,0,0]=4 526 B13R1.26 N#C[C@H](OCC=O)c1ccccc1 916a5bab888c9212c5c780a9dfa38ac5 [0,2,0,0,0,0|2,0,0]=4 527 B13R1.26 N#C[C@H](OCCF)c1ccccc1 ecb37fae9f9d8f2e98455a3abfb5ff5e [0,2,0,0,0,0|2,0,0]=4 528 B13R1.26 N#C[C@H](OCCS)c1ccccc1 a3ae3faaca5937c5663a8af5ec417a56 [0,2,0,0,0,0|2,0,0]=4 529 B13R1.26 O=CCOC(CF)c1ccccc1 5e4660b1a262a4c67a5b6127259a7957 [0,2,0,0,0,0|2,0,0]=4 530 B13R1.26 O=CCOC(CS)c1ccccc1 19fe704dc6299bdb4faf1f6a52fe9b0b [0,2,0,0,0,0|2,0,0]=4 531 B13R1.26 O=CCO[C@H](CF)c1ccccc1 fd15e8addba21a86cd799012dbcdecef [0,2,0,0,0,0|2,0,0]=4 532 B13R1.26 SCCOC(CS)c1ccccc1 477237e5b5d9e36f346c4c759b492e11 [0,2,0,0,0,0|2,0,0]=4 533 B13R1.173 C#CC(OCC)c1ccccc1Cl cae5214e1bb8a240913eeb84bfdf2934 [0,2,0,0,0,0|1,0,1]=4 534 B13R1.173 C#CC(OCC)c1ccccc1F 61a100a713ab76dd0f91c2fcbb9114af [0,2,0,0,0,0|1,0,1]=4 535 B13R1.173 C#CC(OCF)c1ccccc1F 731b877aba1ff70c47f17ccfe512d1f1 [0,2,0,0,0,0|1,0,1]=4 536 B13R1.173 C=CC(OCC)c1ccccc1C 6de4d5603794207235fdb90a8ba16daa [0,2,0,0,0,0|1,0,1]=4 537 B13R1.173 C=CC(OCC)c1ccccc1Cl 4fc46676b348d4226aca410c3302e1e9 [0,2,0,0,0,0|1,0,1]=4 538 B13R1.173 C=CC(OCC)c1ccccc1F 169091a16477bd04c5c3c3f45fb528e5 [0,2,0,0,0,0|1,0,1]=4 539 B13R1.173 C=CC(OCF)c1ccccc1C c379a8bad7fc573d2c4bb2349aa52f27 [0,2,0,0,0,0|1,0,1]=4 540 B13R1.173 C=CC(OCF)c1ccccc1Cl fd183280fab852c001156bf3ff3a7e8e [0,2,0,0,0,0|1,0,1]=4 541 B13R1.173 C=CC(OCF)c1ccccc1F e805e0fd9b890c58dce51c63f05e3bb4 [0,2,0,0,0,0|1,0,1]=4 542 B13R1.173 CCC(NCF)c1ccccc1C 174b7c1c388186a9aa99b1e71221ae75 [0,2,0,0,0,0|2,0,0]=4 543 B13R1.173 CCC(NCF)c1ccccc1Cl d7c6ba8abc8758f25dadc81c9bdb8cfb [0,2,0,0,0,0|2,0,0]=4 544 B13R1.173 CCC(NCF)c1ccccc1F 875825433d08052efc8bdb51e159915f [0,2,0,0,0,0|2,0,0]=4 545 B13R1.173 CCC(NCO)c1ccccc1C cdd8a4e1fa41101c31167f0e8e96acdd [0,2,0,0,0,0|2,0,0]=4 546 B13R1.173 CCC(NCO)c1ccccc1Cl 5b23c8699d128efe97c467ce6e49ac78 [0,2,0,0,0,0|2,0,0]=4 547 B13R1.173 CCC(NCO)c1ccccc1F 63b5c35d3fb4612923d3fc3ad7e5d74c [0,2,0,0,0,0|2,0,0]=4 548 B13R1.173 CCC(OCF)c1ccccc1Cl 925314a4c04d11a7de8091b831c78656 [0,2,0,0,0,0|1,0,0]=3 549 B13R1.173 CCC(OCF)c1ccccc1F 406d1135e134588c7cc869b8ebc783f4 [0,2,0,0,0,0|1,0,0]=3 550 B13R1.173 CCC(OCF)c1ccccc1I f0432e878dcd9e7e3430c90c58de933b [0,2,0,0,0,0|1,0,0]=3 551 B13R1.173 CCC(OCF)c1ccncc1Cl 2fdccb875dcfb8260c1bbfaaedb3c766 [0,2,0,0,0,0|2,0,0]=4 552 B13R1.173 CCC(OCF)c1ccncc1F b603c0d943954715e6b2d0628062b7df [0,2,0,0,0,0|2,0,0]=4 553 B13R1.173 CCNC(CC)c1ccccc1C fe8f928b003693ea42fb78e520639b15 [0,2,0,0,0,0|2,0,0]=4 554 B13R1.173 CCNC(CC)c1ccccc1Cl cf83a3e41812855299f7c11a4003cbe0 [0,2,0,0,0,0|2,0,0]=4 555 B13R1.173 CCNC(CC)c1ccccc1F f779411eb66dc6fe5b8395e3d3f7a414 [0,2,0,0,0,0|2,0,0]=4 556 B13R1.173 CCN[C@@H](CC)c1ccccc1F 684a298359f7411683c90066ff61c183 [0,2,0,0,0,0|2,0,0]=4 557 B13R1.173 CCOC(CC)c1ccccc1Cl cd63563c2e2d93fcb90d57a538660584 [0,2,0,0,0,0|1,0,0]=3 558 B13R1.173 CCOC(CC)c1ccccc1F 37595bcbf81ada6cd3816c35771011a9 [0,2,0,0,0,0|1,0,0]=3 559 B13R1.173 CCOC(CC)c1ccccc1I c0664ffbdd3ad8a77ae8af77f8a3ad7c [0,2,0,0,0,0|1,0,0]=3 560 B13R1.173 CCOC(CC)c1ccncc1Cl ad3a444f84f44f91e5d5a9e57c7d2f9c [0,2,0,0,0,0|2,0,0]=4 561 B13R1.173 CCOC(CC)c1ccncc1F d30dee34477967364b1bbf277d0b8846 [0,2,0,0,0,0|2,0,0]=4 562 B13R1.173 CC[C@H](NCF)c1ccccc1F 9dd3a3186e167e12aaaf9ec043c4a54c [0,2,0,0,0,0|2,0,0]=4 563 B13R1.173 CC[C@H](NCO)c1ccccc1F 91514fc721bfa4ea9687caddc46e4790 [0,2,0,0,0,0|2,0,0]=4 564 B13R1.398 C#CCC(OCC)c1ccccc1 1dae7551cf566ec05aa7ad0fae0d6bc4 [0,2,0,0,0,0|1,0,1]=4 565 B13R1.398 C#CCC(OCF)c1ccccc1 99018293fffaa2ab15ab91132e52c87c [0,2,0,0,0,0|1,0,1]=4 566 B13R1.398 C=CCC(OCC)c1ccccc1 a4657ed7da3cce6d02fc90b54c66bb6b [0,2,0,0,0,0|1,0,1]=4 567 B13R1.398 C=CCC(OCF)c1ccccc1 2c1095f226792f2244d53250b796d47f [0,2,0,0,0,0|1,0,1]=4 568 B13R1.398 CCCC(NCC)c1ccccc1 efc1934e8ac0e9eaf0d234978f9d0c0c [0,2,0,0,0,0|2,0,0]=4 569 B13R1.398 CCCC(NCF)c1ccccc1 f92f626e8295b5e311b8cb02d2079228 [0,2,0,0,0,0|2,0,0]=4 570 B13R1.398 CCCC(NCO)c1ccccc1 41f9fe7dd83c9ad5337ca4e5f7cd941b [0,2,0,0,0,0|2,0,0]=4 571 B13R1.398 CCCC(OCC)c1ccccc1 1cc1a4cc3f334b214c9cb547ca17caa9 [0,2,0,0,0,0|1,0,0]=3 572 B13R1.398 CCCC(OCF)c1ccccc1 7630e368d3b7be22c06f8db98f3a3854 [0,2,0,0,0,0|1,0,0]=3 573 B13R1.398 CCCN(COC)c1ccccc1 735668ff67e4473dd73867339f0275b0 [0,2,0,0,0,0|2,0,0]=4 574 B13R1.398 CCC[C@@H](NCC)c1ccccc1 d3993ac1fe7d1000481f66e09a619792 [0,2,0,0,0,0|2,0,0]=4 575 B13R1.398 CCC[C@@H](NCF)c1ccccc1 3e531e0345907b81bbc914c2562b18e3 [0,2,0,0,0,0|2,0,0]=4 576 B13R1.398 CCC[C@@H](NCO)c1ccccc1 f0244fea9b9d4cbb8c3e2b745ab91f6c [0,2,0,0,0,0|2,0,0]=4 577 B13R1.398 CCC[C@@H](OCC)c1ccccc1 38fac7afa3522c365d281f27829e3da9 [0,2,0,0,0,0|1,0,0]=3 578 B13R1.398 CCC[C@@H](OCF)c1ccccc1 b600c1c84e7df60b30991a558f914901 [0,2,0,0,0,0|1,0,0]=3 579 B13R1.398 CCC[C@H](NCC)c1ccccc1 14f7e6a73494f1a6eea5a519e3fe28e7 [0,2,0,0,0,0|2,0,0]=4 580 B13R1.398 CCC[C@H](NCF)c1ccccc1 4f613701a2917983892fa99d666b7cba [0,2,0,0,0,0|2,0,0]=4 581 B13R1.398 CCC[C@H](NCO)c1ccccc1 7ffa5fe71e790a995fb3fb0ee954c3b9 [0,2,0,0,0,0|2,0,0]=4 582 B13R1.398 CCC[C@H](OCC)c1ccccc1 c3efcc6ce5a488ec88cbb48dde6ce64c [0,2,0,0,0,0|1,0,0]=3 583 B13R1.398 CCC[C@H](OCF)c1ccccc1 9dc7ca1fe8419121f5ca50300ab8a74e [0,2,0,0,0,0|1,0,0]=3 584 B13R1.398 CCNC(CCO)c1ccccc1 f825b938a15b874444b8f237da39bad0 [0,2,0,0,0,0|2,0,0]=4 585 B13R1.398 CCNC(COC)c1ccccc1 0b06c193b0a1efc5d6e1f6faf0767fe1 [0,2,0,0,0,0|1,0,0]=3 586 B13R1.398 CCN[C@@H](CCO)c1ccccc1 1ad509dbf441e9b3489226982640c6e0 [0,2,0,0,0,0|2,0,0]=4 587 B13R1.398 CCN[C@@H](COC)c1ccccc1 768dbfe514aab97f88bb6c78f6b0bf87 [0,2,0,0,0,0|1,0,0]=3 588 B13R1.398 CCN[C@H](CCO)c1ccccc1 c225a2b2b9731b3897e8e04f441056ac [0,2,0,0,0,0|2,0,0]=4 589 B13R1.398 CCN[C@H](COC)c1ccccc1 d202722122e916c8e6e7a31aa145020b [0,2,0,0,0,0|1,0,0]=3 590 B13R1.398 CCOC(CC#N)c1ccccc1 2bbb28c9c7213946a1986d74269d5084 [0,2,0,0,0,0|1,0,1]=4 591 B13R1.398 COCC(NC=O)c1ccccc1 a63a2b8fc8294f3146c0134b647a19a8 [0,2,0,0,0,0|1,0,1]=4 592 B13R1.398 COCC(NCF)c1ccccc1 423979c9c624b5f3b2ae3cde07803a7c [0,2,0,0,0,0|1,0,0]=3 593 B13R1.398 COCC(NCO)c1ccccc1 2bca9b677601cd5fa537edf151753047 [0,2,0,0,0,0|1,0,0]=3 594 B13R1.398 COCN(CCF)c1ccccc1 ad7ae6d40fc6af53b527f226453ba06f [0,2,0,0,0,0|2,0,0]=4 595 B13R1.398 COCN(CCO)c1ccccc1 8581515eb5e2ba890deb08e3cf043416 [0,2,0,0,0,0|2,0,0]=4 596 B13R1.398 COC[C@@H](NC=O)c1ccccc1 067546f851be66827736fa1cacee56a9 [0,2,0,0,0,0|1,0,1]=4 597 B13R1.398 COC[C@@H](NCF)c1ccccc1 7b6d67951a06df484ce865545c838acb [0,2,0,0,0,0|1,0,0]=3 598 B13R1.398 COC[C@@H](NCO)c1ccccc1 21ba03523a718e551ad2b9dd9bdc3c99 [0,2,0,0,0,0|1,0,0]=3 599 B13R1.398 COC[C@H](NC=O)c1ccccc1 a4f1c8db94e3be1a8f7c9063e4eec989 [0,2,0,0,0,0|1,0,1]=4 600 B13R1.398 COC[C@H](NCF)c1ccccc1 e862b758a0f9a71496f3bdfc20e3bad4 [0,2,0,0,0,0|1,0,0]=3 601 B13R1.398 COC[C@H](NCO)c1ccccc1 4a1fbce80583268118d1a3bd73f21590 [0,2,0,0,0,0|1,0,0]=3 602 B13R1.398 N#CCC(OCF)c1ccccc1 a4db1de75c8088347d357d56775aac34 [0,2,0,0,0,0|1,0,1]=4 603 B13R1.398 OCCC(NCF)c1ccccc1 27cac894e0cb4f700fac3e2ca8d3691c [0,2,0,0,0,0|2,0,0]=4 604 B13R1.398 OCCC(NCO)c1ccccc1 d06d82acc0008a3acf948beab3cc6742 [0,2,0,0,0,0|2,0,0]=4 605 B13R1.398 OCC[C@@H](NCF)c1ccccc1 a35cbe99580cc91d8d77f5d237015fcd [0,2,0,0,0,0|2,0,0]=4 606 B13R1.398 OCC[C@@H](NCO)c1ccccc1 d10930d8efdca07ceeb30493da503a33 [0,2,0,0,0,0|2,0,0]=4 607 B13R1.398 OCC[C@H](NCF)c1ccccc1 da2bd12ad1908f7de12b900a2a0391f2 [0,2,0,0,0,0|2,0,0]=4 608 B13R1.398 OCC[C@H](NCO)c1ccccc1 2888f6b910856545dad37fc4eb463f00 [0,2,0,0,0,0|2,0,0]=4 609 B13R1.402 C#CC(C)(OCC)c1ccccc1 4fed3d5f01f8f46ebaceef8c85389573 [0,2,0,0,0,0|1,0,1]=4 610 B13R1.402 C#CC(C)(OCF)c1ccccc1 004c0d8b87aca4e6122cbd4d2326e5ac [0,2,0,0,0,0|1,0,1]=4 611 B13R1.402 CC(C=O)(OCF)c1ccccc1 abfa187ae8de8100bdc6c8007653d746 [0,2,0,0,0,0|2,0,0]=4 612 B13R1.402 CCC(C)(OCF)c1ccccc1 48334484c6fd3557a5867a2e676a56a0 [0,2,0,0,0,0|1,0,0]=3 613 B13R1.402 CCOC(C)(C=O)c1ccccc1 98bf4a06a3acb9fdae1b015022e8ee05 [0,2,0,0,0,0|2,0,0]=4 614 B13R1.402 CCOC(C)(CC)c1ccccc1 a053c083e6d29ed7f63232525570fa6e [0,2,0,0,0,0|1,0,0]=3 615 B13R1.402 CCO[C@@](C)(CC)c1ccccc1 2ec6efe95004a9dee46e1161f78ac68a [0,2,0,0,0,0|1,0,0]=3 616 B13R1.402 CCO[C@](C)(CC)c1ccccc1 31c9afdcb58f3616f0e363e2edb559d9 [0,2,0,0,0,0|1,0,0]=3 617 B13R1.402 CC[C@@](C)(OCF)c1ccccc1 24763ce907257ad353511bcd4f3b9389 [0,2,0,0,0,0|1,0,0]=3 618 B13R1.402 CC[C@](C)(OCF)c1ccccc1 2451db777b642eb53e2229ac77e913ad [0,2,0,0,0,0|1,0,0]=3 619 B13R1.405 CC(=O)C(OCF)c1ccccc1 c3d3e521c28656480f76530200b274cc [0,2,0,0,0,0|1,0,0]=3 620 B13R1.405 CC(C)C(NCO)c1ccccc1 07de733553453cfe8576721a28d22697 [0,2,0,0,0,0|2,0,0]=4 621 B13R1.405 CC(C)C(OCF)c1cccnc1 8dae260b884c7f842ddf11f6df2ee2f9 [0,2,0,0,0,0|2,0,0]=4 622 B13R1.405 CC(C)[C@@H](NCO)c1ccccc1 55249c4e59a4f4ba5caf32b3fb2c6fc4 [0,2,0,0,0,0|2,0,0]=4 623 B13R1.405 CC(C)[C@H](NCO)c1ccccc1 7b2f227d3ed432baf39efac7bfeab67c [0,2,0,0,0,0|2,0,0]=4 624 B13R1.405 CC(O)C(NCO)c1ccccc1 5efad585560be632273fbbc5f0cee689 [0,2,0,0,0,0|2,0,0]=4 625 B13R1.405 CCNC(c1ccccc1)C(C)C b59bdf62bf1823d4ac621438087875da [0,2,0,0,0,0|2,0,0]=4 626 B13R1.405 CCNC(c1ccccc1)C(C)O 988d7623da86c7523910834be7c2cbf2 [0,2,0,0,0,0|2,0,0]=4 627 B13R1.405 CCN[C@@H](c1ccccc1)C(C)C 16a72345cfec2784acf07e0d35e5e53e [0,2,0,0,0,0|2,0,0]=4 628 B13R1.405 CCN[C@@H](c1ccccc1)[C@@H](C)O f20ca8406b180490a93f6c7162117bab [0,2,0,0,0,0|2,0,0]=4 629 B13R1.405 CCN[C@H](c1ccccc1)C(C)C 181aa7a59d98b9cd3ee9d00dfa22451a [0,2,0,0,0,0|2,0,0]=4 630 B13R1.405 CCN[C@H](c1ccccc1)[C@H](C)O 6991d7a1243e3ded31841a19ec54220a [0,2,0,0,0,0|2,0,0]=4 631 B13R1.405 CCOC(C(=O)C)c1ccccc1 978b8a065cefe3dd4c48c28bab1ef6f1 [0,2,0,0,0,0|1,0,0]=3 632 B13R1.405 CCOC(C(=O)N)c1ccccc1 4cadd269f5009a12d685dab928c6328d [0,2,0,0,0,0|2,0,0]=4 633 B13R1.405 CCOC(C(=O)O)c1ccccc1 bf2a391e548c65a683a0a45a2b3fdcac [0,2,0,0,0,0|2,0,0]=4 634 B13R1.405 CCOC(c1ccccc1)C(F)F 8da5284f5cca73d650f6889df3a1e49a [0,2,0,0,0,0|2,0,0]=4 635 B13R1.405 CCOC(c1cccnc1)C(C)C f86acb3a30e25400750e314358896b16 [0,2,0,0,0,0|2,0,0]=4 636 B13R1.405 CCO[C@@H](C(=O)N)c1ccccc1 93f6fc7d6947450b6bb9e9e3f4e8d071 [0,2,0,0,0,0|2,0,0]=4 637 B13R1.405 CCO[C@@H](C(=O)O)c1ccccc1 26ff87578b2634a5a13bd7cc5cbb3ff5 [0,2,0,0,0,0|2,0,0]=4 638 B13R1.405 CCO[C@H](C(=O)N)c1ccccc1 a51bdf38f41c41f4f543792d8b6211e5 [0,2,0,0,0,0|2,0,0]=4 639 B13R1.405 CCO[C@H](C(=O)O)c1ccccc1 a9cfff70734151ac3e9919424a3b721c [0,2,0,0,0,0|2,0,0]=4 640 B13R1.405 C[C@@H](O)[C@@H](NCO)c1ccccc1 b6ccc7e84e97380662f586d14119671b [0,2,0,0,0,0|2,0,0]=4 641 B13R1.405 C[C@H](O)[C@H](NCO)c1ccccc1 a7a91df13472e0f9cb26ceb89e783eba [0,2,0,0,0,0|2,0,0]=4 642 B13R1.405 NC(=O)C(OCF)c1ccccc1 813096555c1d692b6040dd3bf22dbde1 [0,2,0,0,0,0|2,0,0]=4 643 B13R1.405 NC(=O)[C@@H](OCF)c1ccccc1 3f84489714d9310293f6c0293883ca25 [0,2,0,0,0,0|2,0,0]=4 644 B13R1.405 NC(=O)[C@H](OCF)c1ccccc1 5648bc8df0a24083a38304060e0b33b8 [0,2,0,0,0,0|2,0,0]=4 645 B13R1.405 O=C(O)C(OCF)c1ccccc1 9b4de0fe878b86051b4e49a3c1325a7a [0,2,0,0,0,0|2,0,0]=4 646 B13R1.405 O=C(O)[C@@H](OCF)c1ccccc1 61775100312073eda0e34d8b62fb2254 [0,2,0,0,0,0|2,0,0]=4 647 B13R1.405 O=C(O)[C@H](OCF)c1ccccc1 e24f0f0979ad51ee6162490ba466ae90 [0,2,0,0,0,0|2,0,0]=4 648 B13R1.532 CCC(c1ccccc1)N(C)C=O 0baedd380245cbde3752614e065679d3 [0,2,0,0,0,0|2,0,0]=4 649 B13R1.713 C#CC(OC(C)C)c1ccccc1 65b6523fa03011b37932b4d97b01b814 [0,2,0,0,0,0|1,0,1]=4 650 B13R1.713 C#C[C@@H](OC(C)C)c1ccccc1 65a79cec3b3d9cd654c66d27198ab0ac [0,2,0,0,0,0|1,0,1]=4 651 B13R1.713 C#C[C@H](OC(C)C)c1ccccc1 68ef7b637ee397331239e908c82abbac [0,2,0,0,0,0|1,0,1]=4 652 B13R1.713 C=CC(OC(C)C)c1ccccc1 4857960945659ab57a7f2afd00cc12a0 [0,2,0,0,0,0|1,0,1]=4 653 B13R1.713 CC(C)OC(C=O)c1ccccc1 355a7c4982edcf5a0ba8a1ae1b147522 [0,2,0,0,0,0|2,0,0]=4 654 B13R1.713 CC(C)OC(CF)c1ccccc1 03ea8247c3bef549e5323aad73c0e9e2 [0,2,0,0,0,0|2,0,0]=4 655 B13R1.713 CC(C)O[C@H](CF)c1ccccc1 43ec51a283e680ab66757e5360eee212 [0,2,0,0,0,0|2,0,0]=4 656 B13R1.713 CCC(NC(=O)C)c1ccccc1 4b108746296086381277dbefdf93545f [0,2,0,0,0,0|2,0,0]=4 657 B13R1.713 CCC(NC(C)C)c1ccccc1 678ffab07e2c862b09480e42d5c62f0b [0,2,0,0,0,0|2,0,0]=4 658 B13R1.713 CCC(OC(C)C)c1ccccc1 24bcd37e5706ce8532e06856db5b06fd [0,2,0,0,0,0|1,0,0]=3 659 B13R1.713 CC[C@@H](NC(=O)C)c1ccccc1 dad02339beaab90891ee585072e399a5 [0,2,0,0,0,0|2,0,0]=4 660 B13R1.713 CC[C@@H](NC(C)C)c1ccccc1 9588b9e4a1b27c4e5eca895799854d2b [0,2,0,0,0,0|2,0,0]=4 661 B13R1.713 CC[C@@H](OC(C)C)c1ccccc1 9f269c7a31a314929ac7b227fcb61d60 [0,2,0,0,0,0|1,0,0]=3 662 B13R1.713 CC[C@H](NC(=O)C)c1ccccc1 1d4236e7dfe81bf263a1136947ca95b3 [0,2,0,0,0,0|2,0,0]=4 663 B13R1.713 CC[C@H](NC(C)C)c1ccccc1 99c4bf6e064840cc67e52a3c4d7765f0 [0,2,0,0,0,0|2,0,0]=4 664 B13R1.713 CC[C@H](OC(C)C)c1ccccc1 aec7232310e4a007d528dd1069053632 [0,2,0,0,0,0|1,0,0]=3 665 B13R2.27 C[C@@H]1CC[C@@H]1Nc2ccccc2 684c63eb5cb578cf14151b91d0b0133b [0,0,0,1,0,1|2,0,0]=4 666 B13R2.27 C[C@@H]1CC[C@H]1Nc2ccccc2 a6e394c4737b64f13f3ac1a417405627 [0,0,0,1,0,1|2,0,0]=4 667 B13R2.1 CCNC1CCc2c1cccc2 a2f9a7034c524e36dce9da570b8eed38 [0,1,0,1,0,0|2,0,0]=4 668 B13R2.1 CCN[C@@H]1CCc2c1cccc2 5aed7c7d3dcee97baa206f32f1362e41 [0,1,0,1,0,0|2,0,0]=4 669 B13R2.1 CCN[C@H]1CCc2c1cccc2 f19fd7a3a0767a9c0a83a9bd087dc982 [0,1,0,1,0,0|2,0,0]=4 670 B13R2.1 CCOC1CCc2c1cccc2 0a564ddb836ef50c1bf85fb2687fd49d [0,1,0,1,0,0|1,0,0]=3 671 B13R2.1 CCOC1CCc2c1cccn2 c6c0f5cd67dfc92d9347f34d8def883b [0,1,0,1,0,0|2,0,0]=4 672 B13R2.1 CCOC1CCc2c1ccnc2 441ac8e26c735e6d9097823a2774ca38 [0,1,0,1,0,0|2,0,0]=4 673 B13R2.1 CCOC1CCc2c1nccc2 46712bc3b3957fef0d0bc81ccd2508cf [0,1,0,1,0,0|2,0,0]=4 674 B13R2.1 CCOC1COc2c1cccc2 169b2661bfe6b350410e42b6f532c79d [0,1,0,1,0,0|2,0,0]=4 675 B13R2.1 CCO[C@@H]1CCc2c1cccc2 d45cdcdf972d77a1482368de502027ba [0,1,0,1,0,0|1,0,0]=3 676 B13R2.1 CCO[C@@H]1CCc2c1cccn2 739a4562b2841b730dd2ec77ecb5597d [0,1,0,1,0,0|2,0,0]=4 677 B13R2.1 CCO[C@@H]1CCc2c1nccc2 d9478c8d6e3fa6b9f56b689a5a2f4ea9 [0,1,0,1,0,0|2,0,0]=4 678 B13R2.1 CCO[C@H]1CCc2c1cccc2 9fc25a59177ef73a2d9f07d6b3cf667c [0,1,0,1,0,0|1,0,0]=3 679 B13R2.1 CCO[C@H]1CCc2c1cccn2 7a0c9d9931ea97de8e992f51b791ed97 [0,1,0,1,0,0|2,0,0]=4 680 B13R2.1 CCO[C@H]1CCc2c1nccc2 49fc56ef3be913f89d886a0adc99dfba [0,1,0,1,0,0|2,0,0]=4 681 B13R2.1 COCN1CCc2c1cccc2 c60b77eab970945e626beeeffa2e13c9 [0,1,0,1,0,0|2,0,0]=4 682 B13R2.1 FCNC1CCc2c1cccc2 103eb8093388b5304c3d889b2159e580 [0,1,0,1,0,0|2,0,0]=4 683 B13R2.1 FCN[C@@H]1CCc2c1cccc2 80f4a364666628aaed4078d05ba64d81 [0,1,0,1,0,0|2,0,0]=4 684 B13R2.1 FCN[C@H]1CCc2c1cccc2 e2bc57269246b588ccdae838b66bcdab [0,1,0,1,0,0|2,0,0]=4 685 B13R2.1 FCOC1CCc2c1cccc2 220ffcfcb17950e6863e8cf7c77f0e80 [0,1,0,1,0,0|1,0,0]=3 686 B13R2.1 FCOC1CCc2c1cccn2 8d2431df3fa165c464921c4c9b505418 [0,1,0,1,0,0|2,0,0]=4 687 B13R2.1 FCOC1CCc2c1ccnc2 5c83f5ab139bba4921c36ccaab2c0635 [0,1,0,1,0,0|2,0,0]=4 688 B13R2.1 FCOC1CCc2c1nccc2 ee7af43b956b32c2730a27b2f7d46a96 [0,1,0,1,0,0|2,0,0]=4 689 B13R2.1 FCOC1COc2c1cccc2 5ce87a2713e3b1392f0ec09dfccefd22 [0,1,0,1,0,0|2,0,0]=4 690 B13R2.1 FCO[C@@H]1CCc2c1cccc2 b81c2aa02363e23e2aa7fd5b72680552 [0,1,0,1,0,0|1,0,0]=3 691 B13R2.1 FCO[C@@H]1CCc2c1cccn2 2eb2a346635122374af5fba1b76db14e [0,1,0,1,0,0|2,0,0]=4 692 B13R2.1 FCO[C@@H]1CCc2c1nccc2 3eae3d078c920eaf10c57e2c4f31cd3f [0,1,0,1,0,0|2,0,0]=4 693 B13R2.1 FCO[C@H]1CCc2c1cccc2 f0246c395c555c6bc0fc361803df6be2 [0,1,0,1,0,0|1,0,0]=3 694 B13R2.1 FCO[C@H]1CCc2c1cccn2 88dd3fc1edc745f1a691f7f8debd8268 [0,1,0,1,0,0|2,0,0]=4 695 B13R2.1 FCO[C@H]1CCc2c1nccc2 1483d0d60c2910495ba3eaedf065222a [0,1,0,1,0,0|2,0,0]=4 696 B13R2.1 OCNC1CCc2c1cccc2 68947de79947f48a5d80c9a9590ab777 [0,1,0,1,0,0|2,0,0]=4 697 B13R2.1 OCN[C@@H]1CCc2c1cccc2 6205c97f0245589d6d4ddfad23eea2a6 [0,1,0,1,0,0|2,0,0]=4 698 B13R2.1 OCN[C@H]1CCc2c1cccc2 8cbbf6faa09157d41905fc38137a0b18 [0,1,0,1,0,0|2,0,0]=4 699 B13R2.453 CCNC1(CC1)c2ccccc2 48f50d697a9247d57ed0ac1ac22085e5 [0,1,0,1,0,0|2,0,0]=4 700 B13R2.453 FCNC1(CC1)c2ccccc2 f2471daf03b425b5e028856866347e17 [0,1,0,1,0,0|2,0,0]=4 701 B13R2.453 FCOC1(CC1)c2ccccc2 374ccb98ccb7a0931c1f147807704b86 [0,1,0,1,0,0|1,0,0]=3 702 B13R2.453 OCNC1(CC1)c2ccccc2 5bd1556c7b3abc189b07e9d94d08e165 [0,1,0,1,0,0|2,0,0]=4 703 B11R1.40 C=CC(C)Nc1ccccc1 11c4f91eafeb8b3d7c22c97a0ea92d57 [1,0,0,0,0,1|1,0,1]=4 704 B11R1.40 CC(C=O)Nc1ccccc1 0d04ec44ee6fe8b8d4f3d71cd15333ba [1,0,0,0,0,1|2,0,0]=4 705 B11R1.40 CC(CO)Nc1ccccc1 28944821b2a2502f940043c73e5bee97 [1,0,0,0,0,1|2,0,0]=4 706 B11R1.40 CCC(C)Nc1ccccc1 0d73dedeab1dd8f5149c3124f0b802dc [1,0,0,0,0,1|1,0,0]=3 707 B11R1.40 CCC(C)Nc1ccccn1 bb895d27f1d9ed94ab4cd5f93b01f0bd [1,0,0,0,0,1|2,0,0]=4 708 B11R1.40 CCC(C)Nc1cccnc1 a0e745f4d44915557790daf72381f523 [1,0,0,0,0,1|2,0,0]=4 709 B11R1.40 CCC(C)Nc1ccncc1 8150e11adca204128a3ae62428597250 [1,0,0,0,0,1|2,0,0]=4 710 B11R1.40 CCC(C)Oc1ccccn1 b8b4a806c6af90298cf0d1454fda0647 [1,0,0,0,0,1|2,0,0]=4 711 B11R1.40 CCC(C)Oc1cccnc1 ea8ea3a935f9f1da0dc64162c872e010 [1,0,0,0,0,1|2,0,0]=4 712 B11R1.40 CCC(C)Oc1ccncc1 0e7c13edf9ed6b6addf466a3a8481e15 [1,0,0,0,0,1|2,0,0]=4 713 B11R1.40 CCN(C)Cc1ccccc1 c214a7b7c23665abe56278baaf98348b [1,0,0,0,0,1|2,0,0]=4 714 B11R1.40 CC[C@@H](C)Nc1ccccc1 405a065880ecff40d5c3aba49f23a60f [1,0,0,0,0,1|1,0,0]=3 715 B11R1.40 CC[C@@H](C)Nc1cccnc1 d5c354fec9aa4824593a6aa370b31f97 [1,0,0,0,0,1|2,0,0]=4 716 B11R1.40 CC[C@H](C)Nc1ccccc1 bdf0fca4eb541010d4b75cf2b0618571 [1,0,0,0,0,1|1,0,0]=3 717 B11R1.40 CC[C@H](C)Nc1cccnc1 a188aeb369243191dc243d4fb98ce075 [1,0,0,0,0,1|2,0,0]=4 718 B11R1.40 C[C@@H](CO)Nc1ccccc1 d1a979ebd31c8c47073ae387eaa9c5f8 [1,0,0,0,0,1|2,0,0]=4 719 B11R1.40 C[C@H](C=O)Nc1ccccc1 10a4433daba67da13987d6e7cd5b7f0f [1,0,0,0,0,1|2,0,0]=4 720 B11R1.40 C[C@H](CO)Nc1ccccc1 b7592eed2c2b10dda06f47547223c567 [1,0,0,0,0,1|2,0,0]=4 721 B13R1.417 CCC(CC)CNc1ccccc1 74bcf58314d6623796f9ccdf533641c4 [0,0,0,0,0,2|2,0,0]=4 722 B13R1.417 CCC(CC)NCc1ccccc1 d33e44be019531a76e706befeb4676ba [0,0,0,0,0,2|2,0,0]=4 723 B13R1.417 CCC(CC)OCc1ccccc1 f6f2f0325d2e972c2d5203c22b72617f [0,0,0,0,0,2|2,0,0]=4 724 B13R1.417 COC(CNc1ccccc1)OC 91b7154c3c67b4dd9ea38a718aacd035 [0,0,0,0,0,2|0,0,0]=2 725 B13R1.417 COC(CNc1ccccn1)OC 5f9249e6661326ac7147fa202df30911 [0,0,0,0,0,2|1,0,0]=3 726 B13R1.417 COC(CNc1cccnc1)OC 0e73c094feedf212b45252e1cb13d3f7 [0,0,0,0,0,2|1,0,0]=3 727 B13R1.417 COC(CNc1cccnn1)OC fdbd79b9eeed498f7a288e46afa69b55 [0,0,0,0,0,2|2,0,0]=4 728 B13R1.417 COC(CNc1ccncc1)OC e5bd2820da226d7fa6810d1769fe9ab5 [0,0,0,0,0,2|1,0,0]=3 729 B13R1.417 COC(CNc1ccncn1)OC 9190267baca7b1d1eb7a0c28ce92db6c [0,0,0,0,0,2|2,0,0]=4 730 B13R1.417 COC(CNc1ccnnc1)OC 140f49124e14ebf3810e2cb66cac82b1 [0,0,0,0,0,2|2,0,0]=4 731 B13R1.417 COC(CNc1cnccn1)OC 0c428539ff565da0a86e7f8d5ebc7a56 [0,0,0,0,0,2|2,0,0]=4 732 B13R1.417 COC(CNc1cncnc1)OC 579754cd5654c1733710e18d5762f760 [0,0,0,0,0,2|2,0,0]=4 733 B13R1.417 COC(CNc1ncccn1)OC 8970394ade5930a0b9d6087b240c6fa0 [0,0,0,0,0,2|2,0,0]=4 734 B13R1.417 COC(COc1ccccn1)OC b9bc763a9e580496a1ed3fd48d2cb940 [0,0,0,0,0,2|1,0,0]=3 735 B13R1.417 COC(COc1cccnc1)OC 34934926f91a76e30e53f9d3d0f0f8e9 [0,0,0,0,0,2|1,0,0]=3 736 B13R1.417 COC(COc1ccncc1)OC 9abf2a9ffc1aa61d850ab853d1ea4f9a [0,0,0,0,0,2|1,0,0]=3 737 B13R1.417 COC(COc1ccnnc1)OC 2cfd1079800f3970186442891a3ac1a8 [0,0,0,0,0,2|2,0,0]=4 738 B13R1.417 COC(COc1cnccn1)OC 9382ece84365fda0cfd88ec429f94ced [0,0,0,0,0,2|2,0,0]=4 739 B13R1.417 COC(COc1cncnc1)OC c9f2c72a01466035d6adfdc2ab1bce16 [0,0,0,0,0,2|2,0,0]=4 740 B13R1.417 COC(COc1ncccn1)OC ab4f4e8031c201b6005c68eca754a9e0 [0,0,0,0,0,2|2,0,0]=4 741 B13R1.417 CO[C@@H](CO)CNc1ccccc1 6349790bbcee1e2b7f121249b31683b8 [0,0,0,0,0,2|2,0,0]=4