0 B12R1.34 C=CC(C)N(C)c1ccccc1 867a73c44cbcf2d99abc1ebb4318c0f8 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.34 CC(C=O)N(C)c1ccccc1 f5d6d04ee745621ff9b8dd29884dcf19 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.34 CC(CO)N(C)c1ccccc1 a7ee7abf471efad76d65ff005aacf1dd [0,0,0,0,0,0|4,0,0]=4 3 B12R1.34 CC(c1ccccc1)N(C)C=O e079bef7522e1ef5cc00bc8636c131a1 [0,0,0,0,0,0|4,0,0]=4 4 B12R1.34 CCC(C)N(C)c1cccnc1 707e066f5f77e29216e51fa77aa6ca79 [0,0,0,0,0,0|4,0,0]=4 5 B12R1.34 CCC(C)N(C)c1ccncc1 628de20d8e2aadb9b61c93e1ee94b466 [0,0,0,0,0,0|4,0,0]=4 6 B12R1.34 CCN(C)C(=O)c1ccccc1 ec42892db6b620c971271a983914a3d4 [0,0,0,0,0,0|2,0,2]=4 7 B12R1.34 CCN(C)C(C)c1ccccn1 e1b322344e042da4d3c870ba415567e2 [0,0,0,0,0,0|4,0,0]=4 8 B12R1.34 CCN(C)C(C)c1ccncc1 02ec4b5351d7312edffcfac49b9e4dc2 [0,0,0,0,0,0|4,0,0]=4 9 B12R1.34 CCN(C)[C@@H](C)c1ccncc1 e6ade88ac5a50ca1ec24028b19c8dcc7 [0,0,0,0,0,0|4,0,0]=4 10 B12R1.34 C[C@@H](CO)N(C)c1ccccc1 96b24e6691fa0d3459c276c6ca2c2615 [0,0,0,0,0,0|4,0,0]=4 11 B12R1.34 C[C@@H](c1ccccc1)N(C)C=O 43f258a4426e518211b56116828aebcd [0,0,0,0,0,0|4,0,0]=4 12 B12R1.34 C[C@H](C=O)N(C)c1ccccc1 18aecb36d80866d7598cb9bc61f9cefb [0,0,0,0,0,0|4,0,0]=4 13 B12R1.34 C[C@H](CO)N(C)c1ccccc1 a37c707a1c025793f08fdf6588fbc88b [0,0,0,0,0,0|4,0,0]=4 14 B12R1.34 C[C@H](c1ccccc1)N(C)C=O aead6dfaf118bd90be7abe9a0f430aad [0,0,0,0,0,0|4,0,0]=4 15 B11R1.16 CCCN(C)c1ccccc1 5333b12ce18e2a38096b8e486fed114a [1,0,0,0,0,0|3,0,0]=4 16 B11R1.16 CCNC(C)c1ccccc1 af03e39d181c5fd668bda5d6f7d06e14 [1,0,0,0,0,0|3,0,0]=4 17 B11R1.16 CCN[C@@H](C)c1ccccc1 994b5b0b50363ecab1efd5b7f9e6d7cd [1,0,0,0,0,0|3,0,0]=4 18 B11R1.16 CCN[C@H](C)c1ccccc1 af432512ad94856da6ef9d44592c3502 [1,0,0,0,0,0|3,0,0]=4 19 B11R1.16 CCOC(C)c1ccccc1 37108e833ff536d25c550cb5b37c873d [1,0,0,0,0,0|3,0,0]=4 20 B11R1.16 CCO[C@@H](C)c1ccccc1 e4f11a13dd3f609e6f25ac3a3b969fe2 [1,0,0,0,0,0|3,0,0]=4 21 B11R1.16 CCO[C@H](C)c1ccccc1 54694971b3853f962e687b61e7c698c1 [1,0,0,0,0,0|3,0,0]=4 22 B11R1.16 COCN(C)c1ccccc1 6231e4bc9ebe3bdb02fd15faeb34634f [1,0,0,0,0,0|3,0,0]=4 23 B11R1.16 CSCN(C)c1ccccc1 6fe637e44a17092ac12098dbdcb5352f [1,0,0,0,0,0|3,0,0]=4 24 B11R1.40 C=CC(C)Nc1ccccc1 11c4f91eafeb8b3d7c22c97a0ea92d57 [1,0,0,0,0,0|2,0,1]=4 25 B11R1.40 CC(C=O)Nc1ccccc1 0d04ec44ee6fe8b8d4f3d71cd15333ba [1,0,0,0,0,0|3,0,0]=4 26 B11R1.40 CC(CO)Nc1ccccc1 28944821b2a2502f940043c73e5bee97 [1,0,0,0,0,0|3,0,0]=4 27 B11R1.40 CCC(C)Nc1ccccc1 0d73dedeab1dd8f5149c3124f0b802dc [1,0,0,0,0,0|2,0,0]=3 28 B11R1.40 CCC(C)Nc1ccccn1 bb895d27f1d9ed94ab4cd5f93b01f0bd [1,0,0,0,0,0|3,0,0]=4 29 B11R1.40 CCC(C)Nc1cccnc1 a0e745f4d44915557790daf72381f523 [1,0,0,0,0,0|3,0,0]=4 30 B11R1.40 CCC(C)Nc1ccncc1 8150e11adca204128a3ae62428597250 [1,0,0,0,0,0|3,0,0]=4 31 B11R1.40 CCC(C)Oc1ccccn1 b8b4a806c6af90298cf0d1454fda0647 [1,0,0,0,0,0|3,0,0]=4 32 B11R1.40 CCC(C)Oc1cccnc1 ea8ea3a935f9f1da0dc64162c872e010 [1,0,0,0,0,0|3,0,0]=4 33 B11R1.40 CCC(C)Oc1ccncc1 0e7c13edf9ed6b6addf466a3a8481e15 [1,0,0,0,0,0|3,0,0]=4 34 B11R1.40 CCN(C)Cc1ccccc1 c214a7b7c23665abe56278baaf98348b [1,0,0,0,0,0|2,0,0]=3 35 B11R1.40 CCN(C)Cc1ccccn1 e347cf6623c9ce49a1c94570b5d3844c [1,0,0,0,0,0|3,0,0]=4 36 B11R1.40 CCN(C)Cc1cccnc1 69e9bc72fe902e2c097b1bc797c43254 [1,0,0,0,0,0|3,0,0]=4 37 B11R1.40 CCN(C)Cc1ccncc1 ebfb44d53a95f23536771c3c1b41adfd [1,0,0,0,0,0|3,0,0]=4 38 B11R1.40 CC[C@@H](C)Nc1ccccc1 405a065880ecff40d5c3aba49f23a60f [1,0,0,0,0,0|2,0,0]=3 39 B11R1.40 CC[C@@H](C)Nc1cccnc1 d5c354fec9aa4824593a6aa370b31f97 [1,0,0,0,0,0|3,0,0]=4 40 B11R1.40 CC[C@H](C)Nc1ccccc1 bdf0fca4eb541010d4b75cf2b0618571 [1,0,0,0,0,0|2,0,0]=3 41 B11R1.40 CC[C@H](C)Nc1cccnc1 a188aeb369243191dc243d4fb98ce075 [1,0,0,0,0,0|3,0,0]=4 42 B11R1.40 CN(C=O)Cc1ccccc1 701ed8237afa851586621908f176512f [1,0,0,0,0,0|3,0,0]=4 43 B11R1.40 CN(CF)Cc1ccccc1 5e57d186c6f316353ffa6c809cb61d75 [1,0,0,0,0,0|3,0,0]=4 44 B11R1.40 CN(CO)Cc1ccccc1 c1d08d2d2c7de731954ebcb428d333e2 [1,0,0,0,0,0|3,0,0]=4 45 B11R1.40 C[C@@H](CO)Nc1ccccc1 d1a979ebd31c8c47073ae387eaa9c5f8 [1,0,0,0,0,0|3,0,0]=4 46 B11R1.40 C[C@H](C=O)Nc1ccccc1 10a4433daba67da13987d6e7cd5b7f0f [1,0,0,0,0,0|3,0,0]=4 47 B11R1.40 C[C@H](CO)Nc1ccccc1 b7592eed2c2b10dda06f47547223c567 [1,0,0,0,0,0|3,0,0]=4 48 B13R1.21 CCC(C)N(C)c1ccc(cc1)Br b47a49d7f99887c2e8ca9bdbd0cd3048 [0,1,0,0,0,0|3,0,0]=4 49 B13R1.21 CCC(C)N(C)c1ccc(cc1)C 0451a330c825a9a323b2172a8c6cc3c0 [0,1,0,0,0,0|3,0,0]=4 50 B13R1.21 CCC(C)N(C)c1ccc(cc1)F 4ed879f1df30ab7a8ac7706e364bb52b [0,1,0,0,0,0|3,0,0]=4 51 B13R1.21 CCC(C)N(C)c1ccc(cc1)I 1caac4a6d51de7296eb89f647ca5c61a [0,1,0,0,0,0|3,0,0]=4 52 B13R1.21 CCC(C)N(C)c1ccc(cc1)S ae4a3be3c7bfcc09ead074b6e1a7bde6 [0,1,0,0,0,0|3,0,0]=4 53 B13R1.22 CCC(C)N(C)c1cccc(c1)Br f2c915c0af0a4fc7cb3e27abb2941292 [0,1,0,0,0,0|3,0,0]=4 54 B13R1.22 CCC(C)N(C)c1cccc(c1)C b092541ccf649543e21d0180bd7cbbf3 [0,1,0,0,0,0|3,0,0]=4 55 B13R1.22 CCC(C)N(C)c1cccc(c1)Cl 3758b39316969d341d44788cf447a0b7 [0,1,0,0,0,0|3,0,0]=4 56 B13R1.22 CCC(C)N(C)c1cccc(c1)F 058fd2d187a55d617933e0701033672a [0,1,0,0,0,0|3,0,0]=4 57 B13R1.22 CCC(C)N(C)c1cccc(c1)I 564307b192a38dbfcb77baa2f39fe541 [0,1,0,0,0,0|3,0,0]=4 58 B13R1.47 CC(CCO)N(C)c1ccccc1 51d411ee7af644b66c64b314ff6c4761 [0,1,0,0,0,0|3,0,0]=4 59 B13R1.47 COCC(C)N(C)c1ccccc1 0cfec86547ebf1973c8d7648f58c91ce [0,1,0,0,0,0|3,0,0]=4 60 B13R1.47 C[C@@H](CCO)N(C)c1ccccc1 25be1c30d5510408379aa2146a6c4cf1 [0,1,0,0,0,0|3,0,0]=4 61 B13R1.86 CCC(CC)N(C)c1ccccc1 dae449e33937ee3442342037e2fa8253 [0,1,0,0,0,0|3,0,0]=4 62 B13R1.263 CCC(C)(C)N(C)c1ccccc1 2462804f7156f2a1f7fb7690ef5470d5 [0,1,0,0,0,0|3,0,0]=4 63 B13R1.532 C=CC(c1ccccc1)N(C)CC f1c9deaa1370722db0c82fe4307b9eda [0,1,0,0,0,0|3,0,0]=4 64 B13R1.532 CC(C#N)N(CO)c1ccccc1 23b9262b70ec3d1a9499bf66bce650e3 [0,1,0,0,0,0|3,0,0]=4 65 B13R1.532 CC(C=O)N(CO)c1ccccc1 817a8a29c95ea42d4a19ea9ae8f6ab0d [0,1,0,0,0,0|3,0,0]=4 66 B13R1.532 CCC(C)N(C#N)c1ccccc1 8438ba7addbd22e0a6524d19745d469d [0,1,0,0,0,0|3,0,0]=4 67 B13R1.532 CCN(C)C(C=O)c1ccccc1 f990741681601dfdd34b91c11a5b4755 [0,1,0,0,0,0|2,0,1]=4 68 B13R1.532 CN(C=O)C(CO)c1ccccc1 e57c45c2954ad0956c572e667abcbeb1 [0,1,0,0,0,0|3,0,0]=4 69 B13R1.532 CN(C=O)[C@@H](CO)c1ccccc1 c67500c37b604fd4f8743af8bb17a628 [0,1,0,0,0,0|3,0,0]=4 70 B13R1.532 CN(C=O)[C@H](CO)c1ccccc1 6d8a9c1f76faf7185c736de0bfbb446d [0,1,0,0,0,0|3,0,0]=4 71 B13R1.532 CN(CO)C(CO)c1ccccc1 7ad405ce53c745a0b9ed0c0b5684d363 [0,1,0,0,0,0|3,0,0]=4 72 B13R1.532 CN(CO)[C@@H](CO)c1ccccc1 83a3734315e281feaac74f943f43a7b9 [0,1,0,0,0,0|3,0,0]=4 73 B13R1.532 CN(CO)[C@H](CO)c1ccccc1 43b8f6a91940244856e14fe5e2500d1d [0,1,0,0,0,0|3,0,0]=4 74 B13R1.696 CCC(C)N(C)c1ccccc1C 6697b54a7e6bcd876ae3aac49b8a9290 [0,1,0,0,0,0|3,0,0]=4 75 B13R1.696 CCC(C)N(C)c1ccccc1F 18b83bfdf5fa92a896949138b89ee3ae [0,1,0,0,0,0|3,0,0]=4 76 B13R2.45 CCN1Cc2ccccc2[C@H]1C 92b2e4a3852f709c0936eac8269cc265 [0,0,0,1,0,0|3,0,0]=4 77 B13R2.56 CCN1CCC1c2ccccc2 fda778d48a622a61b172677bfd132183 [0,0,0,1,0,0|3,0,0]=4 78 B13R1.11 C=CC(C)NC(C)c1ccccc1 79aaae47f7827e28b52622cb8fcd832e [0,0,0,0,0,1|2,0,1]=4 79 B13R1.11 C=CC(C)N[C@@H](C)c1ccccc1 5f5f0c679946662db5947240b7c62b87 [0,0,0,0,0,1|2,0,1]=4 80 B13R1.11 C=CC(C)N[C@H](C)c1ccccc1 2af859ac0ae15bb864ad0122306e5dc1 [0,0,0,0,0,1|2,0,1]=4 81 B13R1.11 C=CC(C)OC(C)c1ccccc1 9d09fffdc7be60a3eed359b27fd06691 [0,0,0,0,0,1|2,0,1]=4 82 B13R1.11 C=CC(C)O[C@@H](C)c1ccccc1 770d524bb667e83af0e777342d670dd2 [0,0,0,0,0,1|2,0,1]=4 83 B13R1.11 C=CC(C)O[C@H](C)c1ccccc1 85b523aa995164e812a7faf46bfb2608 [0,0,0,0,0,1|2,0,1]=4 84 B13R1.11 C=C[C@H](C)OC(C)c1ccccc1 d1dfd21d34cd444f03ec2544048e6598 [0,0,0,0,0,1|2,0,1]=4 85 B13R1.11 C=C[C@H](C)O[C@@H](C)c1ccccc1 a6e21f6785118372d6940fd4b3de0051 [0,0,0,0,0,1|2,0,1]=4 86 B13R1.11 C=C[C@H](C)O[C@H](C)c1ccccc1 0111f133b0d2f2ef298ab2e8a4683610 [0,0,0,0,0,1|2,0,1]=4 87 B13R1.11 CC(C=O)NC(C)c1ccccc1 0cce7e19d47332aa47d5146fe0f289be [0,0,0,0,0,1|3,0,0]=4 88 B13R1.11 CC(C=O)N[C@@H](C)c1ccccc1 68e3abbc43142e486a2e80ee1abe681c [0,0,0,0,0,1|3,0,0]=4 89 B13R1.11 CC(C=O)N[C@H](C)c1ccccc1 32815fd5edc5568f0ef1109a250eb584 [0,0,0,0,0,1|3,0,0]=4 90 B13R1.11 CC(C=O)OC(C)c1ccccc1 4ad6644811710976fe44034865844cbb [0,0,0,0,0,1|3,0,0]=4 91 B13R1.11 CC(C=O)O[C@@H](C)c1ccccc1 e3ce2120fac756109349f29e31d3a16e [0,0,0,0,0,1|3,0,0]=4 92 B13R1.11 CC(C=O)O[C@H](C)c1ccccc1 4645553cdb320af33733ef4859fccc0c [0,0,0,0,0,1|3,0,0]=4 93 B13R1.11 CC(N[C@H](C)C=O)c1ccccc1 43fc4147a75554200daf6d355b3d1491 [0,0,0,0,0,1|3,0,0]=4 94 B13R1.11 CC(O[C@H](C)C=O)c1ccccc1 9fc6f9445a6c570fdf8eddfdf1aad36b [0,0,0,0,0,1|3,0,0]=4 95 B13R1.11 CCC(C)CN(C)c1ccccc1 e6b53dde7a74db55ad58a05fdea07312 [0,0,0,0,0,1|3,0,0]=4 96 B13R1.11 CCC(C)NC(=O)c1ccccc1 a24eb8c017f10a79362021a72e15a1c5 [0,0,0,0,0,1|1,0,2]=4 97 B13R1.11 CCC(C)NC(C)c1ccccn1 498a104f9878200df566fbdf24b20802 [0,0,0,0,0,1|3,0,0]=4 98 B13R1.11 CCC(C)NC(C)c1cccnc1 50a7995097c7904c00eedfa3e0e57b32 [0,0,0,0,0,1|3,0,0]=4 99 B13R1.11 CCC(C)NC(C)c1ccncc1 c130d2abe008aede779ee8e1abe1b3bf [0,0,0,0,0,1|3,0,0]=4 100 B13R1.11 CCC(C)N[C@@H](C)c1ccccn1 3d3a429d4eb95f1b789a2c00d4bda22c [0,0,0,0,0,1|3,0,0]=4 101 B13R1.11 CCC(C)N[C@@H](C)c1cccnc1 7801b331fbf515423d93ba492f510fb9 [0,0,0,0,0,1|3,0,0]=4 102 B13R1.11 CCC(C)N[C@@H](C)c1ccncc1 60db1cf0c2f9949fd0c0bf1d60683986 [0,0,0,0,0,1|3,0,0]=4 103 B13R1.11 CCC(C)N[C@H](C)c1ccccn1 18fdbc9cc9f4d92c9ecbf2680367e8c0 [0,0,0,0,0,1|3,0,0]=4 104 B13R1.11 CCC(C)N[C@H](C)c1cccnc1 d51e02d9903f6254d1e2f5dca1b07f91 [0,0,0,0,0,1|3,0,0]=4 105 B13R1.11 CCC(C)N[C@H](C)c1ccncc1 32cea4133f0771c77cbd8a70087308c7 [0,0,0,0,0,1|3,0,0]=4 106 B13R1.11 CCC(C)OC(C)c1ccccc1 23996e8320585cc0f93c0989f3fb53ed [0,0,0,0,0,1|2,0,0]=3 107 B13R1.11 CCC(C)OC(C)c1ccccn1 950cafcb86fdf11b17caa04898a7b20f [0,0,0,0,0,1|3,0,0]=4 108 B13R1.11 CCC(C)OC(C)c1cccnc1 d287b281bda0acbe8d6a36bc6bb3d0f9 [0,0,0,0,0,1|3,0,0]=4 109 B13R1.11 CCC(C)OC(C)c1ccncc1 50cae2d2cbd4b18983e183d682c33517 [0,0,0,0,0,1|3,0,0]=4 110 B13R1.11 CCC(C)O[C@@H](C)c1ccccc1 a545d3c69554c273a1806cb61b834219 [0,0,0,0,0,1|2,0,0]=3 111 B13R1.11 CCC(C)O[C@@H](C)c1ccccn1 131ce7b73a877c68147476eef823886d [0,0,0,0,0,1|3,0,0]=4 112 B13R1.11 CCC(C)O[C@@H](C)c1cccnc1 c48537db31809afaa539d575804e279a [0,0,0,0,0,1|3,0,0]=4 113 B13R1.11 CCC(C)O[C@@H](C)c1ccncc1 453f86d2da5720b97ecc89ee7381ca36 [0,0,0,0,0,1|3,0,0]=4 114 B13R1.11 CCC(C)O[C@H](C)c1ccccc1 f0a1bee70840c95fe08a6ed0b3477055 [0,0,0,0,0,1|2,0,0]=3 115 B13R1.11 CCC(C)O[C@H](C)c1ccccn1 7a3c864382f535b22e728ce5200ecee2 [0,0,0,0,0,1|3,0,0]=4 116 B13R1.11 CCC(C)O[C@H](C)c1cccnc1 c7d70fe40218da242020d10ce6bac8bf [0,0,0,0,0,1|3,0,0]=4 117 B13R1.11 CCC(C)O[C@H](C)c1ccncc1 f8b07197a88a8dc14f26e07bacdef2b5 [0,0,0,0,0,1|3,0,0]=4 118 B13R1.11 CCN(C)CC(O)c1ccccc1 d45ab040335d9c291ff1d0dee78bd157 [0,0,0,0,0,1|2,0,0]=3 119 B13R1.11 CCN(C)CC(O)c1ccncc1 9273c394c3fdf3a9c27474444b1ffa87 [0,0,0,0,0,1|3,0,0]=4 120 B13R1.11 CCN(C)C[C@H](O)c1ccccc1 f912c0d939165dc0f095ac8f10acbab6 [0,0,0,0,0,1|2,0,0]=3 121 B13R1.11 CC[C@@H](C)NC(=O)c1ccccc1 5ab596bb25c88592dc60fb3be166fea6 [0,0,0,0,0,1|1,0,2]=4 122 B13R1.11 CC[C@H](C)CN(C)c1ccccc1 5ad2d6fc9d65f8f5d517bc8783d741f0 [0,0,0,0,0,1|3,0,0]=4 123 B13R1.11 CC[C@H](C)NC(=O)c1ccccc1 c658e513af3b9f827ed093c5c341ea70 [0,0,0,0,0,1|1,0,2]=4 124 B13R1.11 CN(C=O)CC(O)c1ccccc1 90fced2ff5c20b184a913b9c4bc05a79 [0,0,0,0,0,1|3,0,0]=4 125 B13R1.11 CN(C=O)C[C@H](O)c1ccccc1 8ad75ee8fd38591335e54b54c0c7070f [0,0,0,0,0,1|3,0,0]=4 126 B13R1.11 CN(CF)CC(O)c1ccccc1 6044e9a09e29a14190a89ebe0cb6c0ed [0,0,0,0,0,1|3,0,0]=4 127 B13R1.11 CN(CF)C[C@H](O)c1ccccc1 2cd27be8bf81e10e8ef14649c6ead622 [0,0,0,0,0,1|3,0,0]=4 128 B13R1.11 CN(CO)CC(O)c1ccccc1 55c7d0f76d5ec974a482765492db178d [0,0,0,0,0,1|3,0,0]=4 129 B13R1.11 CN(CO)C[C@H](O)c1ccccc1 c6cc3889b9bff3c54b6be7f32b542a6f [0,0,0,0,0,1|3,0,0]=4 130 B13R1.11 COC(C)CN(C)c1ccccc1 d616416c2702bd0786f998a85bbdf71b [0,0,0,0,0,1|3,0,0]=4 131 B13R1.11 CO[C@@H](C)CN(C)c1ccccc1 2636c0c0747c6ae31ac651ee8b8f1e50 [0,0,0,0,0,1|3,0,0]=4 132 B13R1.11 CO[C@H](C)CN(C)c1ccccc1 b80b3cc9c6f1adc4a460ed4bbb66e862 [0,0,0,0,0,1|3,0,0]=4 133 B13R1.11 C[C@H](C=O)N[C@@H](C)c1ccccc1 bc6fb7a7e98fddd224eae4cd3bcb23e0 [0,0,0,0,0,1|3,0,0]=4 134 B13R1.11 C[C@H](C=O)N[C@H](C)c1ccccc1 54ab07ab3039a0ed30a0ba1bda36a4d0 [0,0,0,0,0,1|3,0,0]=4 135 B13R1.11 C[C@H](C=O)O[C@@H](C)c1ccccc1 645e3b7ed725cbd7b3af2b8c0ab6cd34 [0,0,0,0,0,1|3,0,0]=4 136 B13R1.11 C[C@H](C=O)O[C@H](C)c1ccccc1 a94276114d8264bc4ad2237b77ccada1 [0,0,0,0,0,1|3,0,0]=4 137 B13R1.135 CCC(C)C(C)Nc1ccccc1 73b2cd226841b6348e2e0f4edcd68945 [0,0,0,0,0,1|2,0,0]=3 138 B13R1.135 CCC(C)C(C)Nc1cccnc1 05223aa2d93f73fb074c1f5a61decae9 [0,0,0,0,0,1|3,0,0]=4 139 B13R1.135 CCC(C)N(C)Cc1ccccc1 e234f9a3b43c51cdfa21362e0b953970 [0,0,0,0,0,1|3,0,0]=4 140 B13R1.135 CNC(=O)C(C)Nc1ccccc1 4de166c801e40f8dc86b34a6349f43e4 [0,0,0,0,0,1|2,0,1]=4 141 B10R1.15 CCN(C)c1ccccc1 9cc6568b1f30abe04427bdea858da30e [2,0,0,0,0,0|2,0,0]=4 142 B10R1.17 CCCNc1ccccc1 b539dcf8361adb43cc5ffbb8617222f9 [2,0,0,0,0,0|2,0,0]=4 143 B10R1.17 CCNCc1ccccc1 b1285c6596ffdf0473a3780bf23df272 [2,0,0,0,0,0|2,0,0]=4 144 B10R1.17 CCOCc1ccccc1 551a24ad73c54bc42b4e27015fdb411f [2,0,0,0,0,0|2,0,0]=4 145 B10R1.17 COCNc1ccccc1 6c62c6b48b6ce69fe29d4b52e03d5674 [2,0,0,0,0,0|2,0,0]=4 146 B10R1.17 CSCNc1ccccc1 7a27a5c68b132b0ae36908396631930e [2,0,0,0,0,0|2,0,0]=4 147 B10R1.18 CC(C)Nc1ccccc1 678b2595d663b993cd638fb4df86366a [2,0,0,0,0,0|1,0,0]=3 148 B10R1.18 CC(C)Nc1ccccn1 8f41ba2831fdc97ef841b17526dcf604 [2,0,0,0,0,0|2,0,0]=4 149 B10R1.18 CC(C)Nc1cccnc1 b32b013363863cea153240b96e97c19f [2,0,0,0,0,0|2,0,0]=4 150 B10R1.18 CC(C)Nc1ccncc1 ed919cf6533ea85c87fe5a974cf5c4b4 [2,0,0,0,0,0|2,0,0]=4 151 B10R1.18 CC(C)Oc1ccccn1 0855bdc27823287e98107cda25a8e4de [2,0,0,0,0,0|2,0,0]=4 152 B10R1.18 CC(C)Oc1cccnc1 2d5fbf8b6573bcaaa6ad1437daf348fa [2,0,0,0,0,0|2,0,0]=4 153 B10R1.18 CC(C)Oc1ccncc1 fcbd1de824cfd0b7040632344868de57 [2,0,0,0,0,0|2,0,0]=4 154 B12R1.3 CCCN(CO)c1ccccc1 332945179d143a8b0cba1e51c0b9da9c [1,1,0,0,0,0|2,0,0]=4 155 B12R1.3 CCNC(CO)c1ccccc1 614d7335d28e1b76b7f75c607857ca9e [1,1,0,0,0,0|2,0,0]=4 156 B12R1.3 CCN[C@@H](CO)c1ccccc1 9d47715e51326d3f123529a31c888612 [1,1,0,0,0,0|2,0,0]=4 157 B12R1.3 CCN[C@H](CO)c1ccccc1 73c9e00984005addb2e89adfbc35e5fb [1,1,0,0,0,0|2,0,0]=4 158 B12R1.30 CC(CNC#N)c1ccccc1 d5f4eb607db5752f9711ebcab25281e7 [1,1,0,0,0,0|1,0,1]=4 159 B12R1.30 CC(CNC=O)c1ccccc1 383885393da95737b5a43ceb7230b818 [1,1,0,0,0,0|1,0,1]=4 160 B12R1.30 CC(CNCF)c1ccccc1 5f1d9fd84074424c65197fad8c2e5513 [1,1,0,0,0,0|1,0,0]=3 161 B12R1.30 CC(CNCO)c1ccccc1 462ae9832b5de19cce882c0427ce8c7b [1,1,0,0,0,0|1,0,0]=3 162 B12R1.30 CC(COCF)c1ccccc1 c129742ad0b3dcb07ba4c78eb9851e3b [1,1,0,0,0,0|2,0,0]=4 163 B12R1.30 CCCNC(C)c1ccccc1 37d48536a03c5d64ae70e596dd73ed85 [1,1,0,0,0,0|2,0,0]=4 164 B12R1.30 CCCN[C@@H](C)c1ccccc1 604408ade040f4a9c55069b166a57921 [1,1,0,0,0,0|2,0,0]=4 165 B12R1.30 CCCN[C@H](C)c1ccccc1 b93dc36e1ac43b4dfb18fc821dba383a [1,1,0,0,0,0|2,0,0]=4 166 B12R1.30 CCCOC(C)c1ccccc1 b3e8a20aaf9fee6fd90ba3c942d17cbb [1,1,0,0,0,0|2,0,0]=4 167 B12R1.30 CCCO[C@@H](C)c1ccccc1 b5a89a5e2269c078fad9874c053ef84d [1,1,0,0,0,0|2,0,0]=4 168 B12R1.30 CCCO[C@H](C)c1ccccc1 ae53c06444379dfac4167ac84138cfb9 [1,1,0,0,0,0|2,0,0]=4 169 B12R1.30 CCNCC(=O)c1ccccc1 120782ba76f814e86bdef32896186f08 [1,1,0,0,0,0|0,0,2]=4 170 B12R1.30 CCNCC(C)c1ccccc1 9cbf919020878038d0809e43f1be15bb [1,1,0,0,0,0|1,0,0]=3 171 B12R1.30 CCNCC(O)c1ccccc1 2c7684bc90e6b6f2eb9cc788b34e49e9 [1,1,0,0,0,0|0,0,0]=2 172 B12R1.30 CCNCC(O)c1ccccn1 6b1c434bb8a1b8b261ec43b19c8a9bde [1,1,0,0,0,0|1,0,0]=3 173 B12R1.30 CCNCC(O)c1cccnc1 855e09cd2dd0a891326c5d3074b7ce5d [1,1,0,0,0,0|1,0,0]=3 174 B12R1.30 CCNCC(O)c1ccncc1 3f7210030fe9a0f2bae5b80e88f85abe [1,1,0,0,0,0|1,0,0]=3 175 B12R1.30 CCNC[C@@H](C)c1ccccc1 6865a599cc7f5b285bd8c007b28c9b34 [1,1,0,0,0,0|1,0,0]=3 176 B12R1.30 CCNC[C@@H](O)c1ccccc1 1fa8d71540df38b9b8cbd54368ff1949 [1,1,0,0,0,0|0,0,0]=2 177 B12R1.30 CCNC[C@H](C)c1ccccc1 ff4ae3e1c0acb37fe8ab1f33c54ee87a [1,1,0,0,0,0|1,0,0]=3 178 B12R1.30 CCNC[C@H](O)c1ccccc1 a3ad7a2afde7d6051248f34aaf7ade1e [1,1,0,0,0,0|0,0,0]=2 179 B12R1.30 CCOCC(C)c1ccccc1 7d0863132e6f64e2e8f3b829c1ba4213 [1,1,0,0,0,0|2,0,0]=4 180 B12R1.30 CCOC[C@@H](C)c1ccccc1 5d4adf02715a7dc88fd8e9ed1c1ccac0 [1,1,0,0,0,0|2,0,0]=4 181 B12R1.30 CCOC[C@H](C)c1ccccc1 71da89b37784dc3a33c9c6970d6f6435 [1,1,0,0,0,0|2,0,0]=4 182 B12R1.30 COCNC(C)c1ccccc1 da3a97833b329d52bf380d21525de137 [1,1,0,0,0,0|2,0,0]=4 183 B12R1.30 COCN[C@@H](C)c1ccccc1 b0afc671726e2aa3bbf25811f588d87b [1,1,0,0,0,0|2,0,0]=4 184 B12R1.30 COCN[C@H](C)c1ccccc1 9e08f5d5391d04ef9dca8846d7c418b1 [1,1,0,0,0,0|2,0,0]=4 185 B12R1.30 COCOC(C)c1ccccc1 0b1f9c9cdb2cc63a37919c47ba14afe7 [1,1,0,0,0,0|2,0,0]=4 186 B12R1.30 COCO[C@@H](C)c1ccccc1 4f223b91f36fa3bfe971e90568b0e3b0 [1,1,0,0,0,0|2,0,0]=4 187 B12R1.30 COCO[C@H](C)c1ccccc1 ba83963d37e25f49896a3a9bad50ab4f [1,1,0,0,0,0|2,0,0]=4 188 B12R1.30 CSCNC(C)c1ccccc1 6f92386efe5ddba474bf8f6e5b5463ff [1,1,0,0,0,0|2,0,0]=4 189 B12R1.30 CSCN[C@@H](C)c1ccccc1 845e66030d932d6618c275454e4a088a [1,1,0,0,0,0|2,0,0]=4 190 B12R1.30 CSCN[C@H](C)c1ccccc1 30f91454a02398d41f15145ae4807b21 [1,1,0,0,0,0|2,0,0]=4 191 B12R1.30 CSCOC(C)c1ccccc1 641ae777302bb1952ab6a4af8532f275 [1,1,0,0,0,0|2,0,0]=4 192 B12R1.30 CSCO[C@@H](C)c1ccccc1 4fac534708704f5d5e3429eb46cba8d5 [1,1,0,0,0,0|2,0,0]=4 193 B12R1.30 CSCO[C@H](C)c1ccccc1 6e65c7d8640db47c99545e1f59d710dc [1,1,0,0,0,0|2,0,0]=4 194 B12R1.30 C[C@@H](CNC=O)c1ccccc1 4fd65e091e214d9221c262810e411c80 [1,1,0,0,0,0|1,0,1]=4 195 B12R1.30 C[C@@H](CNCF)c1ccccc1 796d7cc72a99b25de3cd91eec937f176 [1,1,0,0,0,0|1,0,0]=3 196 B12R1.30 C[C@@H](CNCO)c1ccccc1 742ee8e739f2ff7dbfa020bf6612568d [1,1,0,0,0,0|1,0,0]=3 197 B12R1.30 C[C@@H](COCF)c1ccccc1 3ef1be7494a491550febb3ea126e0341 [1,1,0,0,0,0|2,0,0]=4 198 B12R1.30 C[C@H](CNC#N)c1ccccc1 82cbedd68be846042bfc1a0fd0ff5ef2 [1,1,0,0,0,0|1,0,1]=4 199 B12R1.30 C[C@H](CNC=O)c1ccccc1 d012ad42959d735a95ee99ba7191a36d [1,1,0,0,0,0|1,0,1]=4 200 B12R1.30 C[C@H](CNCF)c1ccccc1 b55b7c71b6efb4d2ef804c8c8ecd1876 [1,1,0,0,0,0|1,0,0]=3 201 B12R1.30 C[C@H](CNCO)c1ccccc1 348e8a14ee3f664d50cb7fb06a3ca693 [1,1,0,0,0,0|1,0,0]=3 202 B12R1.30 C[C@H](COCF)c1ccccc1 dfac0c7125baf2c94bf4011a8539eabb [1,1,0,0,0,0|2,0,0]=4 203 B12R1.30 N#CNCC(O)c1ccccc1 9720d365060a0fcf7ba83a373e380727 [1,1,0,0,0,0|0,0,1]=3 204 B12R1.30 O=C(CNCF)c1ccccc1 b008ddf68ca6c6ff7ea37d0a87275ccd [1,1,0,0,0,0|0,0,2]=4 205 B12R1.30 O=C(CNCO)c1ccccc1 1f6ea0716cbea011ade59a66de8cfc95 [1,1,0,0,0,0|0,0,2]=4 206 B12R1.30 O=CNCC(O)c1ccccc1 bd6972d51445a44c3965cbebc4bd5db7 [1,1,0,0,0,0|0,0,1]=3 207 B12R1.30 O=CNCC(O)c1ccccn1 f74fbe719d6356bfc273d26f7795d584 [1,1,0,0,0,0|1,0,1]=4 208 B12R1.30 O=CNCC(O)c1cccnc1 649ef114aa6b94c66d68f5702aa02ff0 [1,1,0,0,0,0|1,0,1]=4 209 B12R1.30 O=CNCC(O)c1ccncc1 84598c4a8b9207c0e76a904644972bf2 [1,1,0,0,0,0|1,0,1]=4 210 B12R1.30 O=CNC[C@@H](O)c1ccccc1 d65458916acffc3e27ffc1f7d36d329e [1,1,0,0,0,0|0,0,1]=3 211 B12R1.30 O=CNC[C@H](O)c1ccccc1 f93baa496dc07ecacf88304e0a316c36 [1,1,0,0,0,0|0,0,1]=3 212 B12R1.30 OC(CNCF)c1ccccc1 dadff12dfa7b072497d1230db84a7ab0 [1,1,0,0,0,0|0,0,0]=2 213 B12R1.30 OC(CNCF)c1ccccn1 28b23d2b21264b95b0a73626d3ab73c9 [1,1,0,0,0,0|1,0,0]=3 214 B12R1.30 OC(CNCF)c1cccnc1 cf35ee8aac22551332adc042d29300c0 [1,1,0,0,0,0|1,0,0]=3 215 B12R1.30 OC(CNCF)c1ccncc1 0e2adfe79ee4a1ae9e152358d2961a9a [1,1,0,0,0,0|1,0,0]=3 216 B12R1.30 OCNCC(O)c1ccccc1 a1873e0f542e845030155bc61f7ab033 [1,1,0,0,0,0|0,0,0]=2 217 B12R1.30 OCNCC(O)c1ccccn1 ec2dcb570a75423958acfe8c8ceb5bda [1,1,0,0,0,0|1,0,0]=3 218 B12R1.30 OCNCC(O)c1cccnc1 706b32d1f3a3c7b4480e7c94bfb1ff54 [1,1,0,0,0,0|1,0,0]=3 219 B12R1.30 OCNCC(O)c1ccncc1 1f895db4e7084cce9c369909872cb36b [1,1,0,0,0,0|1,0,0]=3 220 B12R1.30 OCNC[C@@H](O)c1ccccc1 6b625a35862ee45205a70adf222a9a23 [1,1,0,0,0,0|0,0,0]=2 221 B12R1.30 OCNC[C@H](O)c1ccccc1 a19c64470da13d711a93a5da873610b8 [1,1,0,0,0,0|0,0,0]=2 222 B12R1.30 O[C@@H](CNCF)c1ccccc1 17594babf953eee0d2b4c962daa025ce [1,1,0,0,0,0|0,0,0]=2 223 B12R1.30 O[C@H](CNCF)c1ccccc1 1fae90a4e809b4254f08900139a841ce [1,1,0,0,0,0|0,0,0]=2 224 B12R1.20 CC(C)N(C)c1ccc(cc1)S 724cc7d86a6eca1c3614ec86435eba77 [1,1,0,0,0,0|2,0,0]=4 225 B12R1.225 CC(C)N(C)c1cccc(c1)Br 404c236cddda68afae2a72dcb1e91c48 [1,1,0,0,0,0|2,0,0]=4 226 B12R1.225 CC(C)N(C)c1cccc(c1)I 4d85a7a31cabd784005d5d22697530e3 [1,1,0,0,0,0|2,0,0]=4 227 B12R1.478 CC(C)N(C#N)c1ccccc1 791504caa838a69af0259636516d458c [1,1,0,0,0,0|2,0,0]=4 228 B12R1.564 CN(c1ccccc1)C(C)(C)C e80532fb4161df898c2fab27c7c13676 [1,1,0,0,0,0|2,0,0]=4 229 B12R1.32 CC(CCO)Nc1ccccc1 9bf70c52b6fbdda0acbad0fbf8bda5d0 [1,1,0,0,0,0|2,0,0]=4 230 B12R1.32 CC(Cc1ccccn1)NC=O a741ecaffa437be6e161ee51f0aaadec [1,1,0,0,0,0|1,0,1]=4 231 B12R1.32 CC(Cc1ccccn1)NCF d5fdd6b98c347b6317b5d0d8cf3c28b6 [1,1,0,0,0,0|1,0,0]=3 232 B12R1.32 CC(Cc1ccccn1)NCO eb641c414d0b15108bf9321647b7890c [1,1,0,0,0,0|1,0,0]=3 233 B12R1.32 CC(Cc1ccccn1)OCF d6c424851ea201f763a1418247a6eb34 [1,1,0,0,0,0|2,0,0]=4 234 B12R1.32 CC(Cc1cccnc1)NC=O e18776756d7d00508626c4e693f182de [1,1,0,0,0,0|1,0,1]=4 235 B12R1.32 CC(Cc1cccnc1)NCF 0a8331e6b65f8d98e5c22c4682170fe6 [1,1,0,0,0,0|1,0,0]=3 236 B12R1.32 CC(Cc1cccnc1)NCO 2d1e9d214ab4e58b5282fe30111314e4 [1,1,0,0,0,0|1,0,0]=3 237 B12R1.32 CC(Cc1ccncc1)NC=O 59e23cb398e665def29f344e98cae0bc [1,1,0,0,0,0|1,0,1]=4 238 B12R1.32 CC(Cc1ccncc1)NCF 552d22a85f958469339986039ae7dce3 [1,1,0,0,0,0|1,0,0]=3 239 B12R1.32 CC(Cc1ccncc1)NCO def23991f96c3f6436149b61afb90490 [1,1,0,0,0,0|1,0,0]=3 240 B12R1.32 CC(Cc1cnccn1)NCF 162ba9574e5d80553a18bb0728d80865 [1,1,0,0,0,0|2,0,0]=4 241 B12R1.32 CC(Cc1cnccn1)NCO f86cc27b8a2719a3865d7f92ea5b3f87 [1,1,0,0,0,0|2,0,0]=4 242 B12R1.32 CCCC(C)Nc1ccccc1 0980d123cfa1556625b2cd315916fb5f [1,1,0,0,0,0|2,0,0]=4 243 B12R1.32 CCCN(C)Cc1ccccc1 4eed5f3692a34dc05deac3e14f757f4f [1,1,0,0,0,0|2,0,0]=4 244 B12R1.32 CCC[C@H](C)Nc1ccccc1 14114dc7aca9a95d33818d8f8cfafa73 [1,1,0,0,0,0|2,0,0]=4 245 B12R1.32 CCNC(C)Cc1ccccn1 3f739570fdaf944ffb41444c69149a83 [1,1,0,0,0,0|1,0,0]=3 246 B12R1.32 CCNC(C)Cc1cccnc1 1c73ce06501092b14624237b8eaa830e [1,1,0,0,0,0|1,0,0]=3 247 B12R1.32 CCNC(C)Cc1ccncc1 1ac39eab33f6c8633237d01993a17382 [1,1,0,0,0,0|1,0,0]=3 248 B12R1.32 CCNC(C)Cc1cnccn1 bda15725b23b5e321786fab09c3daddb [1,1,0,0,0,0|2,0,0]=4 249 B12R1.32 CCOC(C)Cc1ccccc1 37a2c2b5ef50b1a7cf2088b7456e4451 [1,1,0,0,0,0|1,0,0]=3 250 B12R1.32 CCOC(C)Cc1ccccn1 144eae020541eabb52d7b3534ceef0a4 [1,1,0,0,0,0|2,0,0]=4 251 B12R1.32 CCO[C@@H](C)Cc1ccccc1 19276107fa4d022850aeee4089dafd0c [1,1,0,0,0,0|1,0,0]=3 252 B12R1.32 CCO[C@H](C)Cc1ccccc1 2f8e91d1dc9d2f9667dcff63e87e082c [1,1,0,0,0,0|1,0,0]=3 253 B12R1.32 CN(CCF)Cc1ccccc1 c2bce3f6897fd6361961da43db186c6c [1,1,0,0,0,0|2,0,0]=4 254 B12R1.32 CN(CCO)Cc1ccccc1 757bf36fdf4b02517da3241e86467be6 [1,1,0,0,0,0|2,0,0]=4 255 B12R1.32 CN(CCS)Cc1ccccc1 8e8f744accb260bbf35bc2715f513a4e [1,1,0,0,0,0|2,0,0]=4 256 B12R1.32 COCC(C)Nc1ccccc1 918c3e9faef698920f78ca93350fda53 [1,1,0,0,0,0|2,0,0]=4 257 B12R1.32 COCN(C)Cc1ccccc1 4d05c3d6ddf3ecec9a6b681c1068023b [1,1,0,0,0,0|2,0,0]=4 258 B12R1.32 COC[C@@H](C)Nc1ccccc1 b6337fbd6f770477a80a235354ba550b [1,1,0,0,0,0|2,0,0]=4 259 B12R1.32 COC[C@H](C)Nc1ccccc1 6b0bb5bdf147fc56918f57a798a463a2 [1,1,0,0,0,0|2,0,0]=4 260 B12R1.32 CSCN(C)Cc1ccccc1 d9791fc92d257d5436d9d59fe9a2c04e [1,1,0,0,0,0|2,0,0]=4 261 B12R1.32 C[C@@H](CCO)Nc1ccccc1 fc83b26b05d5bb1e6a4de978429a6aa3 [1,1,0,0,0,0|2,0,0]=4 262 B12R1.32 C[C@H](CCO)Nc1ccccc1 83604672ebfdf7df8b733c8cb4f2aa8a [1,1,0,0,0,0|2,0,0]=4 263 B12R1.43 CC(=O)C(C)Nc1ccccc1 a5a89e613210df479342158a0b1bf72b [1,1,0,0,0,0|2,0,0]=4 264 B12R1.43 CC(=O)N(C)Cc1ccccc1 b985bf2c7484ae6a34647301b4683566 [1,1,0,0,0,0|2,0,0]=4 265 B12R1.43 CC(C)C(C)Nc1ccccc1 48093fab6ce2f9bea5eaf7557d6a555a [1,1,0,0,0,0|2,0,0]=4 266 B12R1.43 CC(C)N(C)Cc1ccccc1 d5edd43e495581ab07d4c878cf7efc6a [1,1,0,0,0,0|2,0,0]=4 267 B12R1.43 CC(C)[C@@H](C)Nc1ccccc1 638de983f09ad8573a19e829866f679b [1,1,0,0,0,0|2,0,0]=4 268 B12R1.43 CC(C)[C@H](C)Nc1ccccc1 37a4cc2968d8598e2dd44bb0f3ee65d4 [1,1,0,0,0,0|2,0,0]=4 269 B12R1.43 CC(O)C(C)Nc1ccccc1 807016486516eda629177f9c4eb1e753 [1,1,0,0,0,0|2,0,0]=4 270 B12R1.49 CCC(C)Nc1ccc(cc1)Br 4d1c483cf4afbfba9a2f8d3db94bec3f [1,1,0,0,0,0|2,0,0]=4 271 B12R1.49 CCC(C)Nc1ccc(cc1)C 3b1fa0514d720f4b3db404292b778124 [1,1,0,0,0,0|2,0,0]=4 272 B12R1.49 CCC(C)Nc1ccc(cc1)Cl 76d63efd5fc59378ea17379a47e7b19f [1,1,0,0,0,0|2,0,0]=4 273 B12R1.49 CCC(C)Nc1ccc(cc1)F e00a92636e95efc27604581ea177b931 [1,1,0,0,0,0|2,0,0]=4 274 B12R1.49 CCC(C)Nc1ccc(cc1)I 442f4ce893379ae3f70afc3980567446 [1,1,0,0,0,0|2,0,0]=4 275 B12R1.49 CCC(C)Nc1ccc(cc1)S d4e426a89d91db8144c9fb2dff511b9d [1,1,0,0,0,0|2,0,0]=4 276 B12R1.49 CCC(C)Oc1ccc(cc1)Br e9ac760eb966c46626ad8cc78ce8ab95 [1,1,0,0,0,0|2,0,0]=4 277 B12R1.49 CCC(C)Oc1ccc(cc1)C 7e96b7f640ec60a64eac66e0769be3a7 [1,1,0,0,0,0|2,0,0]=4 278 B12R1.49 CCC(C)Oc1ccc(cc1)Cl e4591e0baef7f8d77d4837bf4d9fdb37 [1,1,0,0,0,0|2,0,0]=4 279 B12R1.49 CCC(C)Oc1ccc(cc1)F c16cd2d17d48a9601c3d676d21db62eb [1,1,0,0,0,0|2,0,0]=4 280 B12R1.49 CCC(C)Oc1ccc(cc1)I 1f03b3dddba16cff63099651f2c3fd3b [1,1,0,0,0,0|2,0,0]=4 281 B12R1.49 CCC(C)Oc1ccc(cc1)S d9f5a2f73690dbd57408915a8a39b443 [1,1,0,0,0,0|2,0,0]=4 282 B12R1.49 CCN(C)Cc1ccc(cc1)Br 1cd45e4ca45fae9e98f9fb1c46e39cc6 [1,1,0,0,0,0|2,0,0]=4 283 B12R1.49 CCN(C)Cc1ccc(cc1)C 055291017524f626e0726902d4240145 [1,1,0,0,0,0|2,0,0]=4 284 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 44a860069a7f680293c76e814fd41a95 [1,1,0,0,0,0|2,0,0]=4 285 B12R1.49 CCN(C)Cc1ccc(cc1)F 54dace8f30df290c27637058b77ffe21 [1,1,0,0,0,0|2,0,0]=4 286 B12R1.49 CCN(C)Cc1ccc(cc1)I 5d72761060d288ad1c94906cd08bd152 [1,1,0,0,0,0|2,0,0]=4 287 B12R1.49 CC[C@@H](C)Nc1ccc(cc1)S cbd8e9c1c5acf2775569733e10999d98 [1,1,0,0,0,0|2,0,0]=4 288 B12R1.49 CC[C@H](C)Nc1ccc(cc1)S fffd6af76aaef88a5e0ba51aece02cfc [1,1,0,0,0,0|2,0,0]=4 289 B12R1.50 CCC(C)Nc1cccc(c1)Br 1d66578ce06ff9734ac9091e085e6a07 [1,1,0,0,0,0|2,0,0]=4 290 B12R1.50 CCC(C)Nc1cccc(c1)C d7cf6e3b62030f874de6f1eb9d16cf4f [1,1,0,0,0,0|2,0,0]=4 291 B12R1.50 CCC(C)Nc1cccc(c1)Cl 08bdcd143bf3141bf35886f1a7a48241 [1,1,0,0,0,0|2,0,0]=4 292 B12R1.50 CCC(C)Nc1cccc(c1)F abc1ee7f668b8358dc6ca8fd4a50a6d5 [1,1,0,0,0,0|2,0,0]=4 293 B12R1.50 CCC(C)Nc1cccc(c1)I bc6d04f9805b80597b81c6888c542900 [1,1,0,0,0,0|2,0,0]=4 294 B12R1.50 CCC(C)Nc1cccc(c1)S 2cd18a9ced79be6a90be5bf41232bef9 [1,1,0,0,0,0|2,0,0]=4 295 B12R1.50 CCC(C)Oc1cccc(c1)Br 11f5b596601cd571c59ff2afebc8ce7a [1,1,0,0,0,0|2,0,0]=4 296 B12R1.50 CCC(C)Oc1cccc(c1)C 9cbbc47209d16c8e877df0d39e5bcab2 [1,1,0,0,0,0|2,0,0]=4 297 B12R1.50 CCC(C)Oc1cccc(c1)Cl 3dfa34a86dfbb1225b2fc77d38aaa045 [1,1,0,0,0,0|2,0,0]=4 298 B12R1.50 CCC(C)Oc1cccc(c1)F 11c1cebedbe6e61c8d433bebe0c72b96 [1,1,0,0,0,0|2,0,0]=4 299 B12R1.50 CCC(C)Oc1cccc(c1)I 7ed5e0b105802053e06ca681572fa199 [1,1,0,0,0,0|2,0,0]=4 300 B12R1.50 CCC(C)Oc1cccc(c1)S 4218a788a21d0fc160d2648a272c1309 [1,1,0,0,0,0|2,0,0]=4 301 B12R1.50 CCN(C)Cc1cccc(c1)Br 0cfb611857c5cb7cc30f39c3873140b0 [1,1,0,0,0,0|2,0,0]=4 302 B12R1.50 CCN(C)Cc1cccc(c1)C 53ad3a118e4ee122b8b7018696871a03 [1,1,0,0,0,0|2,0,0]=4 303 B12R1.50 CCN(C)Cc1cccc(c1)Cl e6a716bb03372171d841e30f8f33fb19 [1,1,0,0,0,0|2,0,0]=4 304 B12R1.50 CCN(C)Cc1cccc(c1)F f82e676ee923805ac44e861b9bf86187 [1,1,0,0,0,0|2,0,0]=4 305 B12R1.50 CCN(C)Cc1cccc(c1)I e43924ee04038b2970f0d94ad73ebdd0 [1,1,0,0,0,0|2,0,0]=4 306 B12R1.50 CC[C@@H](C)Nc1cccc(c1)C 45d939f81c7b7d38cc39ca453cc6d8b9 [1,1,0,0,0,0|2,0,0]=4 307 B12R1.50 CC[C@H](C)Nc1cccc(c1)C 5181036d0ad680b57bb138220216ae0c [1,1,0,0,0,0|2,0,0]=4 308 B12R1.118 CCC(CC)Nc1ccccc1 62a5bbda4663c06f44e205dbfccb7cfa [1,1,0,0,0,0|2,0,0]=4 309 B12R1.118 CCC(CO)Nc1ccccc1 4bbd0090e2c789b85e6c79fc920a972e [1,1,0,0,0,0|2,0,0]=4 310 B12R1.118 CC[C@@H](CO)Nc1ccccc1 4e6d1044dff6b69bba19855888009bcf [1,1,0,0,0,0|2,0,0]=4 311 B12R1.118 CC[C@H](CO)Nc1ccccc1 6e84965dfbcccf2d9d399d53a4428cff [1,1,0,0,0,0|2,0,0]=4 312 B12R1.194 CCC(C)(C)Nc1ccccc1 17a09be9f9cdec5da28d382a8493f798 [1,1,0,0,0,0|2,0,0]=4 313 B12R1.371 CCC(C)Nc1ccccc1Cl de4bf505a5bbedeb31e8a75347207b67 [1,1,0,0,0,0|2,0,0]=4 314 B12R1.371 CCC(C)Nc1ccccc1I cd67cc2bf7f4f6d6c61e47b710e1bb55 [1,1,0,0,0,0|2,0,0]=4 315 B12R1.371 CCC(C)Nc1ccccc1S ecd9db41f3061f567fc7308b02ebdeed [1,1,0,0,0,0|2,0,0]=4 316 B12R1.371 CCC(C)Oc1ccccc1C a9f8caaebcb535b77e0f35c5ea074362 [1,1,0,0,0,0|2,0,0]=4 317 B12R1.371 CCC(C)Oc1ccccc1Cl 6f598d947434a44e209cdf34b797bf91 [1,1,0,0,0,0|2,0,0]=4 318 B12R1.371 CCC(C)Oc1ccccc1F b533bd9cc207ae92fa5d1dd0e1595cbc [1,1,0,0,0,0|2,0,0]=4 319 B12R1.371 CCC(C)Oc1ccccc1I 35e6ee1db321949fbb0c54358fea5b12 [1,1,0,0,0,0|2,0,0]=4 320 B12R1.371 CCC(C)Oc1ccccc1S 430f323aec7886fe8f11d201c4780b84 [1,1,0,0,0,0|2,0,0]=4 321 B12R1.371 CCN(C)Cc1ccccc1Cl e51c361dfc91d5636e1e5a4513a1b110 [1,1,0,0,0,0|2,0,0]=4 322 B12R1.371 CCN(C)Cc1ccccc1F 7c051a9a85266df48aaa13dcfa2254cd [1,1,0,0,0,0|2,0,0]=4 323 B12R1.371 CCN(C)Cc1ccccc1I 83032bc0e16de05a0971afc60500c87f [1,1,0,0,0,0|2,0,0]=4 324 B14R1.10 CCC(C)NC(C)c1ccc(cc1)F 6aa077a34eb27fbc2e0ea72e53be89b9 [0,1,0,0,0,1|2,0,0]=4 325 B14R1.10 CCC(C)NC(C)c1ccc(cc1)I 673fa4acadc8c6e7dc7bb066d2c14e86 [0,1,0,0,0,1|2,0,0]=4 326 B14R1.10 CCC(C)N[C@@H](C)c1ccc(cc1)F 458c910741f1b1075bedc8e66a5409ff [0,1,0,0,0,1|2,0,0]=4 327 B14R1.10 CCC(C)N[C@@H](C)c1ccc(cc1)I 29420fd3623006fcdb19c0bf826c2fb2 [0,1,0,0,0,1|2,0,0]=4 328 B14R1.10 CCC(C)N[C@H](C)c1ccc(cc1)F 273233857aad4d82fefe0b5ee2c99080 [0,1,0,0,0,1|2,0,0]=4 329 B14R1.10 CCC(C)N[C@H](C)c1ccc(cc1)I 235b8168c2e5239e7c8978af06d70e45 [0,1,0,0,0,1|2,0,0]=4 330 B14R1.10 CCC(C)OC(C)c1ccc(cc1)Br 16ecfdfa4f4ba06e87b9bda64925a6ac [0,1,0,0,0,1|2,0,0]=4 331 B14R1.10 CCC(C)OC(C)c1ccc(cc1)C 10ca464387d7ef78a30f78c1ec7d31db [0,1,0,0,0,1|2,0,0]=4 332 B14R1.10 CCC(C)OC(C)c1ccc(cc1)Cl d6a728ec7ecbff0fc4ff3363b21e0fc2 [0,1,0,0,0,1|2,0,0]=4 333 B14R1.10 CCC(C)OC(C)c1ccc(cc1)F b6d60d33d9cb93fc0256e2b5c143a554 [0,1,0,0,0,1|2,0,0]=4 334 B14R1.10 CCC(C)OC(C)c1ccc(cc1)I 985090ad4a0d50c6ea52679702c663bd [0,1,0,0,0,1|2,0,0]=4 335 B14R1.10 CCC(C)O[C@@H](C)c1ccc(cc1)Br 24755e2fe0b4ef288f1b5f1881aa8281 [0,1,0,0,0,1|2,0,0]=4 336 B14R1.10 CCC(C)O[C@@H](C)c1ccc(cc1)C f9bc00dc780845c8332895225d03804f [0,1,0,0,0,1|2,0,0]=4 337 B14R1.10 CCC(C)O[C@@H](C)c1ccc(cc1)Cl 00304ae6e47faeed5c7872a55217d595 [0,1,0,0,0,1|2,0,0]=4 338 B14R1.10 CCC(C)O[C@@H](C)c1ccc(cc1)F 70d95cd5a605824b7ff9f460628104bb [0,1,0,0,0,1|2,0,0]=4 339 B14R1.10 CCC(C)O[C@@H](C)c1ccc(cc1)I 2bb1db0f0b4d5e05ccc6231cb3ec7063 [0,1,0,0,0,1|2,0,0]=4 340 B14R1.10 CCC(C)O[C@H](C)c1ccc(cc1)Br cf0f71081f8ea718d072df0b6305deee [0,1,0,0,0,1|2,0,0]=4 341 B14R1.10 CCC(C)O[C@H](C)c1ccc(cc1)C 922954967c8736fdcc40e9cfd37ee1c6 [0,1,0,0,0,1|2,0,0]=4 342 B14R1.10 CCC(C)O[C@H](C)c1ccc(cc1)Cl 040923d9d1aa38d06176e8c5e53a6734 [0,1,0,0,0,1|2,0,0]=4 343 B14R1.10 CCC(C)O[C@H](C)c1ccc(cc1)F f49ffc5f7f08a28f815ceee3fd084480 [0,1,0,0,0,1|2,0,0]=4 344 B14R1.10 CCC(C)O[C@H](C)c1ccc(cc1)I f20a19db4d1fef7632a525c6ce7bab14 [0,1,0,0,0,1|2,0,0]=4 345 B14R1.10 CCN(C)C[C@@H](O)c1ccc(cc1)F ed6615cc8f760e9345a8fa0a59be734e [0,1,0,0,0,1|2,0,0]=4 346 B14R1.10 CCN(C)C[C@H](O)c1ccc(cc1)F 0e7b85df109e12cd7a1cda602a182c44 [0,1,0,0,0,1|2,0,0]=4 347 B14R1.10 CC[C@@H](C)OC(C)c1ccc(cc1)F 8c8f0231997709baeb02c29c09349f42 [0,1,0,0,0,1|2,0,0]=4 348 B14R1.10 CC[C@H](C)OC(C)c1ccc(cc1)F d3aa04c6f8aaf874f0c109d77f5dd6d3 [0,1,0,0,0,1|2,0,0]=4 349 B14R1.11 CCC(C)NC(C)c1cccc(c1)C 7879a32ca0f7aaccd2ceb7ab1eb6e6e8 [0,1,0,0,0,1|2,0,0]=4 350 B14R1.11 CCC(C)NC(C)c1cccc(c1)F 4abe7b6731b72185cf0a13bb40f0de69 [0,1,0,0,0,1|2,0,0]=4 351 B14R1.11 CCC(C)N[C@@H](C)c1cccc(c1)C bbdf542f569810441b097008df2a22eb [0,1,0,0,0,1|2,0,0]=4 352 B14R1.11 CCC(C)N[C@@H](C)c1cccc(c1)F 25650340e689a7d69fd34c5899fb8752 [0,1,0,0,0,1|2,0,0]=4 353 B14R1.11 CCC(C)N[C@H](C)c1cccc(c1)C 8b6811146f139e9b46755fabb9edd0d8 [0,1,0,0,0,1|2,0,0]=4 354 B14R1.11 CCC(C)N[C@H](C)c1cccc(c1)F 2af8a1c48a5e26df85da99e3dbae0410 [0,1,0,0,0,1|2,0,0]=4 355 B14R1.11 CCC(C)OC(C)c1cccc(c1)Br 75181f870ed659616fbeaaaf6d9e0b7a [0,1,0,0,0,1|2,0,0]=4 356 B14R1.11 CCC(C)OC(C)c1cccc(c1)C 1b937ccff27ed69345d133a8ca9c28d4 [0,1,0,0,0,1|2,0,0]=4 357 B14R1.11 CCC(C)OC(C)c1cccc(c1)Cl e0b550c80a035cca2fe37b79d91fd267 [0,1,0,0,0,1|2,0,0]=4 358 B14R1.11 CCC(C)OC(C)c1cccc(c1)F 7e102a01dc736adbad7d71a17578595d [0,1,0,0,0,1|2,0,0]=4 359 B14R1.11 CCC(C)OC(C)c1cccc(c1)I a45fa299cacab8bf9dfde1babcd8c832 [0,1,0,0,0,1|2,0,0]=4 360 B14R1.11 CCC(C)O[C@@H](C)c1cccc(c1)Br 9f9906a536a2fc98dc4585610098f756 [0,1,0,0,0,1|2,0,0]=4 361 B14R1.11 CCC(C)O[C@@H](C)c1cccc(c1)C 30224e50741a543635c30a0b946519bd [0,1,0,0,0,1|2,0,0]=4 362 B14R1.11 CCC(C)O[C@@H](C)c1cccc(c1)Cl 16c773462548f1ab5619770702553309 [0,1,0,0,0,1|2,0,0]=4 363 B14R1.11 CCC(C)O[C@@H](C)c1cccc(c1)F 84339fb401484819ee6d143a4226166c [0,1,0,0,0,1|2,0,0]=4 364 B14R1.11 CCC(C)O[C@H](C)c1cccc(c1)Br e9dc3b6ea4bfb2e7044b09eb564c2679 [0,1,0,0,0,1|2,0,0]=4 365 B14R1.11 CCC(C)O[C@H](C)c1cccc(c1)C 297d452f3f2d4b23bda29139ab9269b7 [0,1,0,0,0,1|2,0,0]=4 366 B14R1.11 CCC(C)O[C@H](C)c1cccc(c1)Cl 7e8a1a6db73079573571c5e33b2756cd [0,1,0,0,0,1|2,0,0]=4 367 B14R1.11 CCC(C)O[C@H](C)c1cccc(c1)F 16fe54bc70ea66dbaff2cee63d76a071 [0,1,0,0,0,1|2,0,0]=4 368 B14R1.11 CCN(C)C[C@H](O)c1cccc(c1)Cl f2026fe9318a58adc59d1f43363750f7 [0,1,0,0,0,1|2,0,0]=4 369 B14R1.11 CC[C@@H](C)OC(C)c1cccc(c1)Cl 90d67e9edc4a4be23bd5c08c47d7991d [0,1,0,0,0,1|2,0,0]=4 370 B14R1.11 CC[C@@H](C)OC(C)c1cccc(c1)F 4adf3dc451a4bad0c5966c47fe48701a [0,1,0,0,0,1|2,0,0]=4 371 B14R1.11 CC[C@H](C)OC(C)c1cccc(c1)Cl 33a61da40adce3da70a907d38c6df42d [0,1,0,0,0,1|2,0,0]=4 372 B14R1.11 CC[C@H](C)OC(C)c1cccc(c1)F ba597a9a7d8563365f95158b35cd4b46 [0,1,0,0,0,1|2,0,0]=4 373 B14R1.29 C/C=C/C(C)OC(C)c1ccccc1 2be31e0722e920e0e2ddc8544e6a8f43 [0,1,0,0,0,1|2,0,0]=4 374 B14R1.29 C/C=C/C(C)O[C@@H](C)c1ccccc1 feee2e09704aae0d0a22d1b237bd45ab [0,1,0,0,0,1|2,0,0]=4 375 B14R1.29 C/C=C/C(C)O[C@H](C)c1ccccc1 36d050956e4cc1722a7985e094f07e38 [0,1,0,0,0,1|2,0,0]=4 376 B14R1.29 CC=CC(C)OC(C)c1ccccc1 714e1efb4b96a2e2243993b09ba0cd9b [0,1,0,0,0,1|2,0,0]=4 377 B14R1.29 CC=CC(C)O[C@@H](C)c1ccccc1 10e4a423023ab6a6bc094727422c3ced [0,1,0,0,0,1|2,0,0]=4 378 B14R1.29 CC=CC(C)O[C@H](C)c1ccccc1 def6793054584e37748bc398118106f9 [0,1,0,0,0,1|2,0,0]=4 379 B14R1.29 CCCN(C)CC(O)c1ccccc1 b90a1dc84cbcfac4dcf7ff788c68d2dc [0,1,0,0,0,1|2,0,0]=4 380 B14R1.29 CCCN(C)C[C@H](O)c1ccccc1 5e312c0a98e57adca5f81aea162253cf [0,1,0,0,0,1|2,0,0]=4 381 B14R1.29 CN(CCF)CC(O)c1ccccc1 edd12d1d9a080bc7a8ef5b60585f26c1 [0,1,0,0,0,1|2,0,0]=4 382 B14R1.29 CN(CCF)C[C@H](O)c1ccccc1 00abfe292d122e3f570ab8427ef8caa8 [0,1,0,0,0,1|2,0,0]=4 383 B14R1.29 CN(CCO)CC(O)c1ccccc1 cc94471c57a33dd17330aae3a8bb5ab3 [0,1,0,0,0,1|2,0,0]=4 384 B14R1.29 CN(CCO)C[C@H](O)c1ccccc1 9145f290e70408a94f719176421f344d [0,1,0,0,0,1|2,0,0]=4 385 B14R1.29 CN(CCS)CC(O)c1ccccc1 e2fe0ddabe77e6c0b0e38231f0cff7d1 [0,1,0,0,0,1|2,0,0]=4 386 B14R1.29 CN(CCS)C[C@H](O)c1ccccc1 444592d55a70f458ddd1dd7244684192 [0,1,0,0,0,1|2,0,0]=4 387 B14R1.29 COCC(C)NC(C)c1ccccc1 d8ed5b88bef57a80010208401f5e0cfe [0,1,0,0,0,1|2,0,0]=4 388 B14R1.29 COCC(C)N[C@@H](C)c1ccccc1 20a55f0a239c1464617a086dd3928879 [0,1,0,0,0,1|2,0,0]=4 389 B14R1.29 COCC(C)N[C@H](C)c1ccccc1 ce5cc1254a92fc6d123c905c15ccc9c2 [0,1,0,0,0,1|2,0,0]=4 390 B14R1.29 COCC(C)OC(C)c1ccccc1 10eec98043cdf890521027eabe29898f [0,1,0,0,0,1|2,0,0]=4 391 B14R1.29 COCC(C)O[C@@H](C)c1ccccc1 b22f4ed60f30f1c2d52f46d9f07e342c [0,1,0,0,0,1|2,0,0]=4 392 B14R1.29 COCC(C)O[C@H](C)c1ccccc1 c3e1666fde2cfa199aefe3a848b1459b [0,1,0,0,0,1|2,0,0]=4 393 B14R1.29 COCN(C)CC(O)c1ccccc1 87f54cc7de0d27966905b69525db21a8 [0,1,0,0,0,1|2,0,0]=4 394 B14R1.29 COCN(C)C[C@H](O)c1ccccc1 6b8474b0f389e41fb96310a3176cad3f [0,1,0,0,0,1|2,0,0]=4 395 B14R1.29 CSCN(C)CC(O)c1ccccc1 2472e6fa11640fc109662fb6c179d5ab [0,1,0,0,0,1|2,0,0]=4 396 B14R1.29 CSCN(C)C[C@H](O)c1ccccc1 157e52ad634b0a0eb14f252e900a7aa4 [0,1,0,0,0,1|2,0,0]=4 397 B14R1.58 CCC(CC)OC(C)c1ccccc1 1d1227d6a7424d259deef47b2e6782ea [0,1,0,0,0,1|2,0,0]=4 398 B14R1.58 CCC(CC)O[C@@H](C)c1ccccc1 ed1054a11ce72a2881a7288aa31a10b3 [0,1,0,0,0,1|2,0,0]=4 399 B14R1.58 CCC(CC)O[C@H](C)c1ccccc1 eb5ab6891209faffe7a1ec9f48c2bc87 [0,1,0,0,0,1|2,0,0]=4 400 B14R1.85 CCC(C)N(C)C(C)c1ccccc1 35f1aa71026f994aee5de74c071ea687 [0,1,0,0,0,1|2,0,0]=4 401 B14R1.85 CCC(C)N(C)[C@@H](C)c1ccccc1 d09c8eff281d85037fc736abef2cad01 [0,1,0,0,0,1|2,0,0]=4 402 B14R1.85 CCC(C)N(C)[C@H](C)c1ccccc1 282a7e5ccc63242779e08e70843229c9 [0,1,0,0,0,1|2,0,0]=4 403 B14R1.85 CCN(C)C(=O)C(O)c1ccccc1 4992e5a6c35d410ee428a97f7e9b1579 [0,1,0,0,0,1|2,0,0]=4 404 B14R1.85 CCN(C)C(=O)[C@@H](O)c1ccccc1 daa2877bbc42ab4d0865180a31ece2f6 [0,1,0,0,0,1|2,0,0]=4 405 B14R1.85 CCN(C)C(=O)[C@H](O)c1ccccc1 27ef431d2b7d420aea18a92fbc479144 [0,1,0,0,0,1|2,0,0]=4 406 B14R1.415 CC(=O)N(C)CC(O)c1ccccc1 7dc3b84b47b58f07f0051e8dc8db994c [0,1,0,0,0,1|2,0,0]=4 407 B14R1.415 CC(=O)N(C)C[C@H](O)c1ccccc1 69239e1548c1040d8f31ded7fb912924 [0,1,0,0,0,1|2,0,0]=4 408 B14R1.415 CC(C)C(C)O[C@@H](C)c1ccccc1 96f9f7423627d02f020238c25477b245 [0,1,0,0,0,1|2,0,0]=4 409 B14R1.415 CC(C)C(C)O[C@H](C)c1ccccc1 1fa49cb5cdb2431ae6854251fb2a28a7 [0,1,0,0,0,1|2,0,0]=4 410 B14R1.415 CC(C)N(C)CC(O)c1ccccc1 5665bdd4d1ca6fbb706520bdc68eec0c [0,1,0,0,0,1|2,0,0]=4 411 B14R1.415 CC(C)N(C)C[C@H](O)c1ccccc1 99795443fc336206eca6b00917e4cfe1 [0,1,0,0,0,1|2,0,0]=4 412 B14R1.415 CC(OC(C)C(C)C)c1ccccc1 28ba324a28fb13434a7558de75ce7396 [0,1,0,0,0,1|2,0,0]=4 413 B14R1.587 CCC(C)NC(C)c1ccccc1F 26474490a120994ca0d1650540447f03 [0,1,0,0,0,1|2,0,0]=4 414 B14R1.587 CCC(C)N[C@@H](C)c1ccccc1F 781d65dbd12c359874dd8143e76987d4 [0,1,0,0,0,1|2,0,0]=4 415 B14R1.587 CCC(C)N[C@H](C)c1ccccc1F 5cec6afc1cbf4d35c3cd63cf7ef1be73 [0,1,0,0,0,1|2,0,0]=4 416 B14R1.587 CCC(C)OC(C)c1ccccc1Cl 2fa69df8dd08728148081e3f18ea25f9 [0,1,0,0,0,1|2,0,0]=4 417 B14R1.587 CCC(C)OC(C)c1ccccc1F a1e293afd7222748ebff261e1303f389 [0,1,0,0,0,1|2,0,0]=4 418 B14R1.587 CCC(C)O[C@@H](C)c1ccccc1Cl 9966f0d0b10b53fdaa9df0d2637f61fd [0,1,0,0,0,1|2,0,0]=4 419 B14R1.587 CCC(C)O[C@@H](C)c1ccccc1F 12e7a33b5bef9fba00922d4f08de9445 [0,1,0,0,0,1|2,0,0]=4 420 B14R1.587 CCC(C)O[C@H](C)c1ccccc1Cl 25d9cd506067aec7f98b9773ed269572 [0,1,0,0,0,1|2,0,0]=4 421 B14R1.587 CCC(C)O[C@H](C)c1ccccc1F 64f569d5d1734e4f6e68cafa473a07be [0,1,0,0,0,1|2,0,0]=4 422 B14R1.741 CCC(C)OC(C)(C)c1ccccc1 821d11244c7f6307c1616cde30f282ee [0,1,0,0,0,1|2,0,0]=4 423 B14R1.3297 C#CC(OC(C)CC)c1ccccc1 58ea702665db5a075be7b4afa5724d30 [0,1,0,0,0,1|2,0,0]=4 424 B14R1.3297 C#C[C@@H](OC(C)CC)c1ccccc1 351d865befec81a3397805dd451b1c46 [0,1,0,0,0,1|2,0,0]=4 425 B14R1.3297 C#C[C@H](OC(C)CC)c1ccccc1 00f4d928ddde554f9c28e29ca52871d7 [0,1,0,0,0,1|2,0,0]=4 426 B14R1.3297 C=CC(C)NC(CO)c1ccccc1 068c54cb780d602cf18e58919b4aae4a [0,1,0,0,0,1|1,0,1]=4 427 B14R1.3297 C=CC(C)N[C@@H](CO)c1ccccc1 1b7a00c6a18d44d0273d986a15b7f270 [0,1,0,0,0,1|1,0,1]=4 428 B14R1.3297 C=CC(C)N[C@H](CO)c1ccccc1 307ced4ba07d662cf9ed80a7e22691e5 [0,1,0,0,0,1|1,0,1]=4 429 B14R1.3297 C=CC(NC(C)CC)c1ccccc1 c7876fb56a81619e5e8030548dee5423 [0,1,0,0,0,1|2,0,0]=4 430 B14R1.3297 C=CC(N[C@@H](C)CC)c1ccccc1 58ebc5772ef8b66326daa200efe70aaa [0,1,0,0,0,1|2,0,0]=4 431 B14R1.3297 C=CC(N[C@H](C)CC)c1ccccc1 5aee508d0d9c13c429e70906f4eb9f5a [0,1,0,0,0,1|2,0,0]=4 432 B14R1.3297 C=CC(OC(C)CC)c1ccccc1 a3cddb626c91dc73fa2383fc4ee7e0ce [0,1,0,0,0,1|2,0,0]=4 433 B14R1.3297 C=CC(O[C@@H](C)CC)c1ccccc1 db4ad1db847246830a689857efde2e24 [0,1,0,0,0,1|2,0,0]=4 434 B14R1.3297 C=CC(O[C@H](C)CC)c1ccccc1 8d454071b0472f3cc54feb7cc490c9d1 [0,1,0,0,0,1|2,0,0]=4 435 B14R1.3297 C=C[C@@H](NC(C)CC)c1ccccc1 8487a12b8d74010aaf442386ed97bf61 [0,1,0,0,0,1|2,0,0]=4 436 B14R1.3297 C=C[C@H](NC(C)CC)c1ccccc1 42701e16f1aff02a368d302b8e37eeee [0,1,0,0,0,1|2,0,0]=4 437 B14R1.3297 CC(C=O)NC(CO)c1ccccc1 e6a461bc78539286dc0cfae9a7929952 [0,1,0,0,0,1|2,0,0]=4 438 B14R1.3297 CC(C=O)N[C@@H](CO)c1ccccc1 cfd4579cb4c140c8b83371e7666ee290 [0,1,0,0,0,1|2,0,0]=4 439 B14R1.3297 CC(C=O)N[C@H](CO)c1ccccc1 6690e85780f529c7bbc8a25054827f5c [0,1,0,0,0,1|2,0,0]=4 440 B14R1.3297 CC(CO)NC(CO)c1ccccc1 57c29504789fd1e11897c301b5c6e83e [0,1,0,0,0,1|2,0,0]=4 441 B14R1.3297 CC(CO)N[C@@H](CO)c1ccccc1 decfa5fb62b11b7dbd331c51431c589b [0,1,0,0,0,1|2,0,0]=4 442 B14R1.3297 CC(CO)N[C@H](CO)c1ccccc1 a5efda3bb1a61692fe0e150b10a2ae4b [0,1,0,0,0,1|2,0,0]=4 443 B14R1.3297 CCC(C)NC(C#N)c1ccccc1 fcd9b17bee2262dcd1c19d3b28aba2df [0,1,0,0,0,1|2,0,0]=4 444 B14R1.3297 CCC(C)NC(C=O)c1ccccc1 99660b0977e6745d1a0894680ba799ec [0,1,0,0,0,1|1,0,1]=4 445 B14R1.3297 CCC(C)NC(CC)c1ccccc1 47958d3b0b58748c7a6dd3b29de31b8c [0,1,0,0,0,1|2,0,0]=4 446 B14R1.3297 CCC(C)NC(CO)c1ccccc1 1dc30b068223a36404a4eba662bddd91 [0,1,0,0,0,1|1,0,0]=3 447 B14R1.3297 CCC(C)NC(CO)c1ccccn1 d45c78786f9799b56e3ed34465895e22 [0,1,0,0,0,1|2,0,0]=4 448 B14R1.3297 CCC(C)NC(CO)c1cccnc1 9e78dfa148b02b70cfa5d3f84a713454 [0,1,0,0,0,1|2,0,0]=4 449 B14R1.3297 CCC(C)NC(CO)c1ccncc1 79d422bca2dbc07bdb224cb6265b74fb [0,1,0,0,0,1|2,0,0]=4 450 B14R1.3297 CCC(C)N[C@@H](CC)c1ccccc1 31938c0a9d7ed4d6d9afc04365eda354 [0,1,0,0,0,1|2,0,0]=4 451 B14R1.3297 CCC(C)N[C@@H](CF)c1ccccc1 090dd38669f212ca640f422a418eeeee [0,1,0,0,0,1|2,0,0]=4 452 B14R1.3297 CCC(C)N[C@@H](CO)c1ccccc1 5596269bee25fbecb570ec9a47d21621 [0,1,0,0,0,1|1,0,0]=3 453 B14R1.3297 CCC(C)N[C@@H](CO)c1cccnc1 bf207ef97b22728c6871e94b232a57b1 [0,1,0,0,0,1|2,0,0]=4 454 B14R1.3297 CCC(C)N[C@H](CC)c1ccccc1 f73704b7b5170d6080da8fae5516de0d [0,1,0,0,0,1|2,0,0]=4 455 B14R1.3297 CCC(C)N[C@H](CO)c1ccccc1 9bf24e53354b6fa5a111eea74809625e [0,1,0,0,0,1|1,0,0]=3 456 B14R1.3297 CCC(C)N[C@H](CO)c1cccnc1 9d0dd79a62b6d6a3c06ab36ed9e0c3e7 [0,1,0,0,0,1|2,0,0]=4 457 B14R1.3297 CCC(C)N[C@H](CO)c1ccncc1 46bac86c5c653a9fe54f98b8fe82920b [0,1,0,0,0,1|2,0,0]=4 458 B14R1.3297 CCC(C)OC(C#N)c1ccccc1 6998abb9ac6857f7d86e9517feb92b75 [0,1,0,0,0,1|2,0,0]=4 459 B14R1.3297 CCC(C)OC(C=O)c1ccccc1 bae862ae502a35078e206f063074729c [0,1,0,0,0,1|1,0,1]=4 460 B14R1.3297 CCC(C)OC(CC)c1ccccc1 9cfb25338b60ca136478aec192b4e403 [0,1,0,0,0,1|2,0,0]=4 461 B14R1.3297 CCC(C)OC(CF)c1ccccc1 aba669f1144b3ae9e44c5520f0b5cb36 [0,1,0,0,0,1|2,0,0]=4 462 B14R1.3297 CCC(C)O[C@@H](C#N)c1ccccc1 ae26afe15357f2925fe00020b1d50b92 [0,1,0,0,0,1|2,0,0]=4 463 B14R1.3297 CCC(C)O[C@@H](CC)c1ccccc1 bf14b951a9fa828d225ec4e497e25adb [0,1,0,0,0,1|2,0,0]=4 464 B14R1.3297 CCC(C)O[C@H](CC)c1ccccc1 39ff3b86ae00c84723a01da13ed80c7b [0,1,0,0,0,1|2,0,0]=4 465 B14R1.3297 CCC(C)O[C@H](CF)c1ccccc1 00034dd3e1872667362f6e185b830056 [0,1,0,0,0,1|2,0,0]=4 466 B14R1.3297 CCC(N[C@@H](C)CC)c1ccccc1 6364e989ceb17da39b4ae3d586d20490 [0,1,0,0,0,1|2,0,0]=4 467 B14R1.3297 CCC(N[C@H](C)CC)c1ccccc1 b7cd0a8c746d6a4cad36d06356929688 [0,1,0,0,0,1|2,0,0]=4 468 B14R1.3297 CCC(O[C@@H](C)CC)c1ccccc1 d70114a7ff0ceda15fbfd9fc03eb39e5 [0,1,0,0,0,1|2,0,0]=4 469 B14R1.3297 CCC(O[C@H](C)CC)c1ccccc1 7e77be5d7a2b13d4a9d6ad87f3aa14c8 [0,1,0,0,0,1|2,0,0]=4 470 B14R1.3297 CC[C@@H](C)NC(C=O)c1ccccc1 b06793a68f51c67c22349c8e92537df3 [0,1,0,0,0,1|1,0,1]=4 471 B14R1.3297 CC[C@@H](C)OC(C=O)c1ccccc1 dc46d7ddf963cbd62673d4e2cf4c0afa [0,1,0,0,0,1|1,0,1]=4 472 B14R1.3297 CC[C@H](C)NC(C=O)c1ccccc1 f82b5cfce35c12ac735b4e6b3fb51a49 [0,1,0,0,0,1|1,0,1]=4 473 B14R1.3297 CC[C@H](C)OC(C=O)c1ccccc1 241643d876ba3409a7469ef5f3bc7e7b [0,1,0,0,0,1|1,0,1]=4 474 B14R1.3297 C[C@H](C=O)NC(CO)c1ccccc1 2e81768e8185f9a65149298321fe9c74 [0,1,0,0,0,1|2,0,0]=4 475 B14R1.3297 C[C@H](C=O)N[C@@H](CO)c1ccccc1 532f3aa2d40f9ae1fda457ad9970531c [0,1,0,0,0,1|2,0,0]=4 476 B14R1.3297 C[C@H](C=O)N[C@H](CO)c1ccccc1 7275139db720d0ddf5cba67536e842cf [0,1,0,0,0,1|2,0,0]=4 477 B14R1.60 CC(NCF)C(=O)Nc1ccccc1 04cd1265690217bb42956a6f777f5439 [0,1,0,0,0,1|0,0,2]=4 478 B14R1.60 CC(NCO)C(=O)Nc1ccccc1 828de54ee0dc5e869573b3e20538ee3a [0,1,0,0,0,1|0,0,2]=4 479 B14R1.60 C[C@H](NCF)C(=O)Nc1ccccc1 f7c2b0c9575d0e070ef28af9ec1066bd [0,1,0,0,0,1|0,0,2]=4 480 B14R1.60 C[C@H](NCO)C(=O)Nc1ccccc1 a4e939590dd496134272dac3430b8421 [0,1,0,0,0,1|0,0,2]=4 481 B14R1.134 CCC(C)C(C)Nc1ccc(cc1)S 56c1446c52d2a989a0c4dac34bd13357 [0,1,0,0,0,1|2,0,0]=4 482 B14R1.135 CCC(C)C(C)Nc1cccc(c1)C f9358e8f9d28a15367c1c37b958260f5 [0,1,0,0,0,1|2,0,0]=4 483 B14R1.135 CCC(C)C(C)Nc1cccc(c1)F 240c6c81b6095cec3604856d7957f116 [0,1,0,0,0,1|2,0,0]=4 484 B14R1.532 COC(OC)C(C)Nc1ccccc1 c557937053b27f17d5a98acbfb3319b9 [0,1,0,0,0,1|2,0,0]=4 485 B14R1.1031 CCC(C)C(CO)Nc1ccccc1 95b3fecdbfab977903c900d8b4d0a2b7 [0,1,0,0,0,1|1,0,0]=3 486 B14R1.1031 CCC(C)C(CO)Nc1ccccn1 58b86ef3bac12a7d7a5779ccc5435c47 [0,1,0,0,0,1|2,0,0]=4 487 B14R1.1031 CCC(C)C(CO)Nc1cccnc1 2095cf3d2ddc3e3c3df3bd17ee1ade8d [0,1,0,0,0,1|2,0,0]=4 488 B14R1.1031 CCC(C)C(CO)Nc1ccncc1 d83fd1b8b1c21d71fb24221ef1f2dcb5 [0,1,0,0,0,1|2,0,0]=4 489 B14R1.1031 CC[C@@H](C)[C@H](CO)Nc1ccccc1 5358bf5573898e52e6188064c1432161 [0,1,0,0,0,1|1,0,0]=3 490 B14R1.1031 CC[C@@H](C)[C@H](CO)Nc1ccccn1 b69f8b76904e4ced872a2bdbbcd54129 [0,1,0,0,0,1|2,0,0]=4 491 B14R1.1031 CC[C@@H](C)[C@H](CO)Nc1cccnc1 80ef43cab61347df7a11d5b22968acd6 [0,1,0,0,0,1|2,0,0]=4 492 B14R1.1031 CC[C@@H](C)[C@H](CO)Nc1ccncc1 54ce531dd80c27d20c6444452615685f [0,1,0,0,0,1|2,0,0]=4 493 B14R1.1031 CC[C@H](C)[C@@H](CO)Nc1ccccc1 155db6f578bf2b655c9476247e5f41bd [0,1,0,0,0,1|1,0,0]=3 494 B14R1.1031 CC[C@H](C)[C@@H](CO)Nc1ccccn1 ae014c76d4d13b305536cee379002f15 [0,1,0,0,0,1|2,0,0]=4 495 B14R1.1031 CC[C@H](C)[C@@H](CO)Nc1cccnc1 f7ed7fb768db860a0f09336c0e37d4e0 [0,1,0,0,0,1|2,0,0]=4 496 B14R1.1031 CC[C@H](C)[C@@H](CO)Nc1ccncc1 4e8c4262caf5ea8ed22629338ecf8368 [0,1,0,0,0,1|2,0,0]=4 497 B14R1.1031 CNC(=O)C(CO)Nc1ccccc1 5a2cee6ddcc94f97765e1f77c25d3967 [0,1,0,0,0,1|1,0,1]=4 498 B14R1.35 CC(NC=O)C(O)c1ccc(cc1)Cl 4cb393b7f7b1b1726d423616cfead0d8 [0,2,0,0,0,0|0,0,1]=3 499 B14R1.35 CC(NCO)C(O)c1ccc(cc1)Cl acbff08a685dac5031ece3a9bcdaf4b2 [0,2,0,0,0,0|0,0,0]=2 500 B14R1.166 C#CCNC(=O)C(O)c1ccccc1 21e9a5e8dc0ae02ed214bf707249efbe [0,2,0,0,0,0|1,0,1]=4 501 B14R1.166 C#CCNC(=O)[C@@H](O)c1ccccc1 f7ce0a64446a71f89db782ce81d580b5 [0,2,0,0,0,0|1,0,1]=4 502 B14R1.166 C#CCNC(=O)[C@H](O)c1ccccc1 29bdf14e977cca15afa69af8577775f3 [0,2,0,0,0,0|1,0,1]=4 503 B14R1.166 CCCNC(=O)C(O)c1ccccc1 f4c76d401218dc8acb1ef4a8ea4c71db [0,2,0,0,0,0|1,0,1]=4 504 B14R1.166 CCCNC(=O)[C@@H](O)c1ccccc1 0aaeae0135a6a12c67ce963ad3c419ea [0,2,0,0,0,0|1,0,1]=4 505 B14R1.166 CCCNC(=O)[C@H](O)c1ccccc1 0f749445a05c28dd77b1c49d0ccf4e2e [0,2,0,0,0,0|1,0,1]=4 506 B14R1.166 N#CCNC(=O)C(O)c1ccccc1 6c6c16902348b9a58f5118636e87571d [0,2,0,0,0,0|1,0,1]=4 507 B14R1.166 N#CCNC(=O)[C@@H](O)c1ccccc1 3712ffb241b38ae2b5591d018d459f2c [0,2,0,0,0,0|1,0,1]=4 508 B14R1.166 N#CCNC(=O)[C@H](O)c1ccccc1 837f6cb5f5fef2655b33d58fdb777c16 [0,2,0,0,0,0|1,0,1]=4 509 B14R1.166 O=C(NCCF)C(O)c1ccccc1 26530bba8a3942093e0aa879be3b309f [0,2,0,0,0,0|1,0,1]=4 510 B14R1.166 O=C(NCCF)[C@@H](O)c1ccccc1 c3a1d5913bd05e8f83ada43f4f9824ea [0,2,0,0,0,0|1,0,1]=4 511 B14R1.166 O=C(NCCF)[C@H](O)c1ccccc1 d8cf96c84642cac861c9e43973ef6d80 [0,2,0,0,0,0|1,0,1]=4 512 B14R1.166 O=C(NCCI)C(O)c1ccccc1 3dd2e9f1c26e8c331cea7731c6b7067d [0,2,0,0,0,0|1,0,1]=4 513 B14R1.166 O=C(NCCI)[C@@H](O)c1ccccc1 53d91f4d2ff0294a2dbaf3a85aa5c64c [0,2,0,0,0,0|1,0,1]=4 514 B14R1.166 O=C(NCCI)[C@H](O)c1ccccc1 1d0d5ca5054c32d43ea5658811cbb208 [0,2,0,0,0,0|1,0,1]=4 515 B14R1.166 O=C(NCCO)C(O)c1ccccc1 316dbbc8cc0cf815f4ac9d638e45041e [0,2,0,0,0,0|1,0,1]=4 516 B14R1.166 O=C(NCCO)[C@@H](O)c1ccccc1 bfcaa5f38dee123b1e1864958dba4b21 [0,2,0,0,0,0|1,0,1]=4 517 B14R1.166 O=C(NCCO)[C@H](O)c1ccccc1 d736eda0279b73b25df8c756c5532926 [0,2,0,0,0,0|1,0,1]=4 518 B14R1.166 O=C(NCCS)C(O)c1ccccc1 4751772bc9e51800daf8671a9f489fc3 [0,2,0,0,0,0|1,0,1]=4 519 B14R1.166 O=C(NCCS)[C@@H](O)c1ccccc1 097d7cb4a18ab45f11ab3e504c0b88ba [0,2,0,0,0,0|1,0,1]=4 520 B14R1.166 O=C(NCCS)[C@H](O)c1ccccc1 edfdd3aa49601f58c53a6002efd28a87 [0,2,0,0,0,0|1,0,1]=4 521 B14R1.478 CCNC(CO)C(O)c1ccccc1 03c25e7c08b17bfd0493fbc11920083b [0,2,0,0,0,0|0,0,0]=2 522 B14R1.478 CCN[C@@H](CO)[C@@H](O)c1ccccc1 7579f24b57044614e4ca00d4ce74d5a9 [0,2,0,0,0,0|0,0,0]=2 523 B14R1.478 CCN[C@H](CO)[C@H](O)c1ccccc1 54b0023f41629b5e25be56eb6ccfece2 [0,2,0,0,0,0|0,0,0]=2 524 B14R1.478 O=CNC(CO)C(O)c1ccccc1 c873524bf6f062bb69d46085f5570371 [0,2,0,0,0,0|0,0,1]=3 525 B14R1.478 O=CN[C@@H](CO)[C@@H](O)c1ccccc1 0463a971f2081278bdd269cfa2b85437 [0,2,0,0,0,0|0,0,1]=3 526 B14R1.478 O=CN[C@H](CO)[C@H](O)c1ccccc1 287cbe396d4904d7fda13743c6b34403 [0,2,0,0,0,0|0,0,1]=3 527 B14R1.478 OCC(NCF)C(O)c1ccccc1 0909022510d2303b0e0ec75b44d2d8b4 [0,2,0,0,0,0|0,0,0]=2 528 B14R1.478 OCNC(CO)C(O)c1ccccc1 7ecc6348d51fe84867d75385f7a3aece [0,2,0,0,0,0|0,0,0]=2 529 B14R1.478 OCN[C@@H](CO)[C@@H](O)c1ccccc1 fa50348878292b537e5ee51e0947d63a [0,2,0,0,0,0|0,0,0]=2 530 B14R1.478 OCN[C@H](CO)[C@H](O)c1ccccc1 02821cf77cada78108e248dbb88944da [0,2,0,0,0,0|0,0,0]=2 531 B14R1.478 OC[C@@H](NCF)[C@H](O)c1ccccc1 420eb7336e9252d1cfe9852579723b90 [0,2,0,0,0,0|0,0,0]=2 532 B14R1.478 OC[C@H](NCF)[C@@H](O)c1ccccc1 5bd566ceb22ba9e66ecf38f101bfbab4 [0,2,0,0,0,0|0,0,0]=2 533 B14R1.604 CCCN(C)C(CO)c1ccccc1 df53ca81491d0c6975758052b92d1542 [0,2,0,0,0,0|2,0,0]=4 534 B14R1.604 CCCN(C)[C@@H](CO)c1ccccc1 0b597cc6954ecda264dc98fe7eb0fc2b [0,2,0,0,0,0|2,0,0]=4 535 B14R1.604 CCCN(C)[C@H](CO)c1ccccc1 bcdcfc083e958c98140fbaa06d218c6b [0,2,0,0,0,0|2,0,0]=4 536 B14R1.604 CN(CCF)C(CO)c1ccccc1 3af2c4f207dcdf573da3d7b2cd024d7c [0,2,0,0,0,0|2,0,0]=4 537 B14R1.604 CN(CCF)[C@@H](CO)c1ccccc1 6701e919dfacecde0eb841433efd5dc5 [0,2,0,0,0,0|2,0,0]=4 538 B14R1.604 CN(CCF)[C@H](CO)c1ccccc1 90093110223117aae5a636bf9bb75930 [0,2,0,0,0,0|2,0,0]=4 539 B14R1.604 CN(CCO)C(CO)c1ccccc1 1b7ccfe0d92c38fef4c766ab50a68242 [0,2,0,0,0,0|2,0,0]=4 540 B14R1.604 CN(CCO)[C@@H](CO)c1ccccc1 cf74bee259346e0a75fb5fa989e3f0f1 [0,2,0,0,0,0|2,0,0]=4 541 B14R1.604 CN(CCO)[C@H](CO)c1ccccc1 cc270f7b30a03de8242210dffb5ef450 [0,2,0,0,0,0|2,0,0]=4 542 B14R1.604 CN(CCS)C(CO)c1ccccc1 e1fe1570bd47ed703ecd0612b4ffa37d [0,2,0,0,0,0|2,0,0]=4 543 B14R1.604 CN(CCS)[C@@H](CO)c1ccccc1 a36f672e41abe224562e1b3a2de0b9b8 [0,2,0,0,0,0|2,0,0]=4 544 B14R1.604 CN(CCS)[C@H](CO)c1ccccc1 e643cbd9b7d3c129c52d91623ca9ca1e [0,2,0,0,0,0|2,0,0]=4 545 B14R1.604 COCC(C)N(CO)c1ccccc1 33fe0a081b5d6072ccba901edde2e06b [0,2,0,0,0,0|2,0,0]=4 546 B14R1.604 COCN(C)C(CO)c1ccccc1 3b9f46980a637b6693b9c984ee7f8911 [0,2,0,0,0,0|2,0,0]=4 547 B14R1.604 COCN(C)[C@@H](CO)c1ccccc1 cdfaefdd30a635ffc977c4f1b4e93dfc [0,2,0,0,0,0|2,0,0]=4 548 B14R1.604 COCN(C)[C@H](CO)c1ccccc1 256accad16d31c0572686bbb7e336351 [0,2,0,0,0,0|2,0,0]=4 549 B14R1.604 CSCN(C)C(CO)c1ccccc1 b33fc68f13a88cea8c15f5234c551ac2 [0,2,0,0,0,0|2,0,0]=4 550 B14R1.604 CSCN(C)[C@@H](CO)c1ccccc1 1455763e408183200c6527692f2dbe0d [0,2,0,0,0,0|2,0,0]=4 551 B14R1.604 CSCN(C)[C@H](CO)c1ccccc1 b6cbafe9a55ceed02daca5f1fc43bc8b [0,2,0,0,0,0|2,0,0]=4 552 B14R1.3348 Cc1ccccc1C(C)C(C)OCF 0e9e0233ee32ff15f056be53adb16cbf [0,2,0,0,0,0|2,0,0]=4 553 B14R1.1027 CC(=O)N(C)C(CO)c1ccccc1 e551231ec8dcf5f94d24d4516cf29347 [0,2,0,0,0,0|2,0,0]=4 554 B14R1.1027 CC(=O)N(C)[C@@H](CO)c1ccccc1 36bf49b3263d7814bd41e10a964c294f [0,2,0,0,0,0|2,0,0]=4 555 B14R1.1027 CC(=O)N(C)[C@H](CO)c1ccccc1 d8d2d3da8b2182c42e683febafafe0de [0,2,0,0,0,0|2,0,0]=4 556 B14R1.1027 CC(C)N(C)C(CO)c1ccccc1 a41363d8e7672d661ab76d49d5dfa341 [0,2,0,0,0,0|2,0,0]=4 557 B14R1.1027 CC(C)N(C)[C@@H](CO)c1ccccc1 5c675da79a58f22254819fff159e732e [0,2,0,0,0,0|2,0,0]=4 558 B14R1.1027 CC(C)N(C)[C@H](CO)c1ccccc1 93eead6c42b323aa7e4f8390663734f9 [0,2,0,0,0,0|2,0,0]=4 559 B14R1.521 CCOC(C(=O)NC)c1ccccc1 96c146e146582cbb0cdf5565c3701784 [0,2,0,0,0,0|1,0,1]=4 560 B14R1.521 CCO[C@@H](C(=O)NC)c1ccccc1 ad7651243ddc7d91d2bb89f93db27cfa [0,2,0,0,0,0|1,0,1]=4 561 B14R1.521 CCO[C@H](C(=O)NC)c1ccccc1 e5584fce424a463c52cda02c25e8dfb0 [0,2,0,0,0,0|1,0,1]=4 562 B14R1.521 CNC(=O)C(NCO)c1ccccc1 2d04c1989049a9d5d9c6b796e103cade [0,2,0,0,0,0|1,0,1]=4 563 B14R1.521 CNC(=O)C(OCF)c1ccccc1 64518b98ad3ef1222e0c671496a2a724 [0,2,0,0,0,0|1,0,1]=4 564 B14R1.521 CNC(=O)[C@@H](NCO)c1ccccc1 eba1f64793affe5159c52f12d776741f [0,2,0,0,0,0|1,0,1]=4 565 B14R1.521 CNC(=O)[C@@H](OCF)c1ccccc1 c524c5d0b030929ab14041fd18cc4ecc [0,2,0,0,0,0|1,0,1]=4 566 B14R1.521 CNC(=O)[C@H](NCO)c1ccccc1 560ac45a512d0f1fbe1ea9325601c58b [0,2,0,0,0,0|1,0,1]=4 567 B14R1.521 CNC(=O)[C@H](OCF)c1ccccc1 c3ed49c994fdbfc2451a2d834e8b48e4 [0,2,0,0,0,0|1,0,1]=4 568 B14R1.2984 CCN(C)C(C(=O)O)c1ccccc1 60867e42c1c725483513e5f5b7366e95 [0,2,0,0,0,0|2,0,0]=4 569 B14R1.2984 CCN(C)[C@@H](C(=O)O)c1ccccc1 727ba11513d2cbe2df3becb0f03b5a8c [0,2,0,0,0,0|2,0,0]=4 570 B14R1.2984 CCN(C)[C@H](C(=O)O)c1ccccc1 3540b3d683a6b3747adb19f4e507e53b [0,2,0,0,0,0|2,0,0]=4 571 B12R2.11 CC1CC1Nc2ccccc2 6c2b1ed9451679c2c2b0f3748602bd6d [1,0,0,1,0,0|2,0,0]=4 572 B12R2.32 CCN1Cc2ccccc2C1 20c2942768350a956e6d394a0b65e9b5 [1,0,0,1,0,0|2,0,0]=4 573 B12R2.2058 c1ccc(cc1)CN2CCC2 79f0a156a4476249fe3e90dbe2fa6274 [1,0,0,1,0,0|2,0,0]=4 574 B14R2.794 OC(CN1CCC1)c2ccccc2 df77ccedc11cc74413904e4ea85d5da2 [0,0,0,1,0,1|2,0,0]=4 575 B14R2.794 O[C@@H](CN1CCC1)c2ccccc2 b18fbb887016a6770e5d7b3c9fcba10e [0,0,0,1,0,1|2,0,0]=4 576 B14R2.794 O[C@H](CN1CCC1)c2ccccc2 de024415af69b90d21a9ef5ced1855f1 [0,0,0,1,0,1|2,0,0]=4 577 B14R2.958 CCC(C)N1CC1c2ccccc2 0fd262c587a3ac7b9869486534e97e16 [0,0,0,1,0,1|2,0,0]=4 578 B14R2.958 CCC(C)N1C[C@@H]1c2ccccc2 200fd80bf58a79bb68220dd7b0a2114a [0,0,0,1,0,1|2,0,0]=4 579 B14R2.1019 CCN1Cc2ccccc2C(C1)O 2c6639e8cb7413cd5ad138f3432dbc34 [0,0,0,1,0,1|2,0,0]=4 580 B14R2.2986 CCN1CC(C1)(O)c2ccccc2 aff246a28b9c5c88e2356cf6ebec29e2 [0,0,0,1,0,1|2,0,0]=4 581 B14R2.35816 CCC(C)OC1Cc2c1cccc2 082c1bae98a6a101a97b6e7084685819 [0,0,0,1,0,1|2,0,0]=4 582 B14R2.78 COC1CCC1Nc2ccccc2 c5660c2578d707f39833065b73710501 [0,0,0,1,0,1|2,0,0]=4 583 B14R2.78 CO[C@@H]1CC[C@@H]1Nc2ccccc2 89ea081d11b423c9f139ad5447ad246d [0,0,0,1,0,1|2,0,0]=4 584 B14R2.78 CO[C@@H]1CC[C@H]1Nc2ccccc2 b6b31ffba7586a16e5f462730237688c [0,0,0,1,0,1|2,0,0]=4 585 B14R2.78 CO[C@H]1CC[C@@H]1Nc2ccccc2 db103038ec7cbaa6041e0ae93e0e52f8 [0,0,0,1,0,1|2,0,0]=4 586 B14R2.78 CO[C@H]1CC[C@H]1Nc2ccccc2 3ff023cfebb4f6ebb21bf3221e8093d7 [0,0,0,1,0,1|2,0,0]=4 587 B14R2.44 CCNC1Cc2ccccc2C1O 140929586af21582fa2717a9eee7cfe4 [0,1,0,1,0,0|0,0,0]=2 588 B14R2.44 CCN[C@@H]1Cc2ccccc2[C@@H]1O 3a0ff08e14e7478f6704c362d97d3672 [0,1,0,1,0,0|0,0,0]=2 589 B14R2.44 N#CNC1Cc2ccccc2C1O 906af1c97043a029ad019215a032fb0b [0,1,0,1,0,0|0,0,1]=3 590 B14R2.44 N#CN[C@@H]1Cc2ccccc2[C@@H]1O 9c2b422935dfbbee68bba860b6f48a9a [0,1,0,1,0,0|0,0,1]=3 591 B14R2.44 N#CN[C@H]1Cc2ccccc2[C@@H]1O ec41a2b6df3af701a08a3d39ed838a62 [0,1,0,1,0,0|0,0,1]=3 592 B14R2.44 O=CNC1Cc2ccccc2C1O 59fb2cd9f1dab4276a08eefb94a6497a [0,1,0,1,0,0|0,0,1]=3 593 B14R2.44 O=CN[C@@H]1Cc2ccccc2[C@@H]1O 9aa4c2c5c6a75b58143045a8379b61b1 [0,1,0,1,0,0|0,0,1]=3 594 B14R2.44 OC1c2ccccc2CC1NCF 5ac51d34a27f925ba8c99b016791198c [0,1,0,1,0,0|0,0,0]=2 595 B14R2.44 OCNC1Cc2ccccc2C1O ae0c3c348131815b2e441e019f1e9ba4 [0,1,0,1,0,0|0,0,0]=2 596 B14R2.44 OCN[C@@H]1Cc2ccccc2[C@@H]1O 66ec352b95c8bdbfad1eabfabe894688 [0,1,0,1,0,0|0,0,0]=2 597 B14R2.44 O[C@H]1c2ccccc2C[C@H]1NCF cc7347bdf88eb0396c413e447ed670af [0,1,0,1,0,0|0,0,0]=2 598 B14R2.19306 CC1c2ccccc2N(C1C)C=O 109e98614a2b47e98355fd3d6ff18ca9 [0,1,0,1,0,0|1,0,1]=4 599 B14R2.203 CC1CCc2ccccc2N1CO 60508c8dffd92167266a2dae1be6c2cf [0,1,0,1,0,0|2,0,0]=4 600 B14R2.203 C[C@@H]1CCc2ccccc2N1CO 3f45d4dd0910f65e1c919f62be026e48 [0,1,0,1,0,0|2,0,0]=4 601 B14R2.203 C[C@H]1CCc2ccccc2N1CO 49644060ee5cc83ddc35b1adf8568ed5 [0,1,0,1,0,0|2,0,0]=4 602 B14R2.1129 CCN1Cc2ccccc2C1CO ccaaea39912129ede83acc55f3ea4862 [0,1,0,1,0,0|2,0,0]=4 603 B14R2.2850 OCN(c1ccccc1)C2CCC2 480bdca7395e64f237f3a8be4f324dab [0,1,0,1,0,0|2,0,0]=4 604 B12R1.27 C#CC(C)NCc1ccccc1 0c823c8410acc72523ada4697880703b [1,0,0,0,0,1|1,0,1]=4 605 B12R1.27 C#CC(C)OCc1ccccc1 f6359202a87cde289007d81369eaa165 [1,0,0,0,0,1|1,0,1]=4 606 B12R1.27 C#C[C@@H](C)NCc1ccccc1 51fd06b5dc99f337c53516eb04becf75 [1,0,0,0,0,1|1,0,1]=4 607 B12R1.27 C#C[C@@H](C)OCc1ccccc1 5a1f683c3ddc74682e7065902596ab4b [1,0,0,0,0,1|1,0,1]=4 608 B12R1.27 C#C[C@H](C)NCc1ccccc1 5c0b47a0f6d5613da204666041aaf216 [1,0,0,0,0,1|1,0,1]=4 609 B12R1.27 C#C[C@H](C)OCc1ccccc1 760d62af860bc17bf4194987b15f5245 [1,0,0,0,0,1|1,0,1]=4 610 B12R1.27 C=CC(C)NCc1ccccc1 a2d84df39e96bf4d63bb9a0f31cf21bd [1,0,0,0,0,1|1,0,1]=4 611 B12R1.27 C=CC(C)OCc1ccccc1 5eba3aa739773a1c08ab0c58859512d1 [1,0,0,0,0,1|1,0,1]=4 612 B12R1.27 C=C[C@H](C)OCc1ccccc1 723c5fd60a5c4ba97fa272fb1c420579 [1,0,0,0,0,1|1,0,1]=4 613 B12R1.27 CC(C#N)CNc1ccccc1 bca83eb9ab77da1cbd259e8c3d4283ee [1,0,0,0,0,1|2,0,0]=4 614 B12R1.27 CC(C#N)NCc1ccccc1 a297cbe65f4070e0226da02d61e71151 [1,0,0,0,0,1|2,0,0]=4 615 B12R1.27 CC(C=O)NCc1ccccc1 52acbe8f861a146c2fae15c546c154ce [1,0,0,0,0,1|2,0,0]=4 616 B12R1.27 CC(C=O)OCc1ccccc1 dab13d83530825bb9c7bbbb7bc6908d9 [1,0,0,0,0,1|2,0,0]=4 617 B12R1.27 CC(CF)OCc1ccccc1 c18da580e3dabe7992624a35c25d53e8 [1,0,0,0,0,1|2,0,0]=4 618 B12R1.27 CC(CO)CNc1ccccc1 f07a32871260f72c2fb2363a7f611104 [1,0,0,0,0,1|2,0,0]=4 619 B12R1.27 CC(CO)NCc1ccccc1 8f2e7b2c99e7f1ec8ee06bbaf841b37c [1,0,0,0,0,1|2,0,0]=4 620 B12R1.27 CC(CS)OCc1ccccc1 bf9173a456888d57225f0e1203a32c5e [1,0,0,0,0,1|2,0,0]=4 621 B12R1.27 CCC(C)CNc1ccccc1 fb8ee4288bf8853fd57c8a217184507f [1,0,0,0,0,1|1,0,0]=3 622 B12R1.27 CCC(C)CNc1ccccn1 6f2b4521dfa3e14ebf77bc9e288b8c6c [1,0,0,0,0,1|2,0,0]=4 623 B12R1.27 CCC(C)CNc1cccnc1 799d2535ec95c75adc3efc07c94a55e6 [1,0,0,0,0,1|2,0,0]=4 624 B12R1.27 CCC(C)CNc1ccncc1 1d114bdb53eb8bc5873d9cc0853c5acf [1,0,0,0,0,1|2,0,0]=4 625 B12R1.27 CCC(C)COc1ccccn1 068a7be24dc7922a67d6964a1394c7d6 [1,0,0,0,0,1|2,0,0]=4 626 B12R1.27 CCC(C)COc1cccnc1 0c32f61d8566e65294b7d65adcb5b70b [1,0,0,0,0,1|2,0,0]=4 627 B12R1.27 CCC(C)COc1ccncc1 60b90e0040b7a2f08da03a263d76f7dc [1,0,0,0,0,1|2,0,0]=4 628 B12R1.27 CCC(C)NCc1ccccc1 ab8df84230779f2ea3e6a09700944eac [1,0,0,0,0,1|1,0,0]=3 629 B12R1.27 CCC(C)NCc1ccccn1 600531c2c0367b3cbfd9810ef9c18666 [1,0,0,0,0,1|2,0,0]=4 630 B12R1.27 CCC(C)NCc1cccnc1 03aa38772555301826d5e6a7450f6276 [1,0,0,0,0,1|2,0,0]=4 631 B12R1.27 CCC(C)NCc1ccncc1 8f2ef9d0f5df7ed3c4b3d292b12e10fb [1,0,0,0,0,1|2,0,0]=4 632 B12R1.27 CCC(C)OCc1ccccc1 ecd56e0e8d83f20f8ba3d53f4367b277 [1,0,0,0,0,1|1,0,0]=3 633 B12R1.27 CCC(C)OCc1ccccn1 cdbc114ff1e98274e0c76d4efba7fd19 [1,0,0,0,0,1|2,0,0]=4 634 B12R1.27 CCC(C)OCc1cccnc1 48e9afbe8701af90763c0a4646314a57 [1,0,0,0,0,1|2,0,0]=4 635 B12R1.27 CCC(C)OCc1ccncc1 a48ab0f470a95fc03f35a49430e127c9 [1,0,0,0,0,1|2,0,0]=4 636 B12R1.27 CCC(O)CNc1ccccc1 3a32ac0a6b49d877750df15cf382268b [1,0,0,0,0,1|2,0,0]=4 637 B12R1.27 CCN(C)CCc1ccccc1 7c4ca4f684c66e96c63c7f2e129ac623 [1,0,0,0,0,1|2,0,0]=4 638 B12R1.27 CC[C@@H](C)CNc1ccccc1 7adb7de69cc286747885efdd5e0d3ab0 [1,0,0,0,0,1|1,0,0]=3 639 B12R1.27 CC[C@@H](C)CNc1ccccn1 b147644fe4c42e26e6b4ca990988fc8c [1,0,0,0,0,1|2,0,0]=4 640 B12R1.27 CC[C@@H](C)CNc1cccnc1 1eb105ddecf8c3249110848ecff4eaa7 [1,0,0,0,0,1|2,0,0]=4 641 B12R1.27 CC[C@@H](C)CNc1ccncc1 ea454cc837b589ad6fa29f9da9abac60 [1,0,0,0,0,1|2,0,0]=4 642 B12R1.27 CC[C@@H](C)COc1ccccn1 874982a66f916edcb8896717a7802590 [1,0,0,0,0,1|2,0,0]=4 643 B12R1.27 CC[C@@H](C)COc1cccnc1 58227191aae01f35afcd7cf132697857 [1,0,0,0,0,1|2,0,0]=4 644 B12R1.27 CC[C@@H](C)COc1ccncc1 d0894bc1ae7cda042c896f44faa1550c [1,0,0,0,0,1|2,0,0]=4 645 B12R1.27 CC[C@@H](C)NCc1ccccc1 1448d746eef22413d3964f8047936159 [1,0,0,0,0,1|1,0,0]=3 646 B12R1.27 CC[C@@H](C)NCc1ccccn1 abcbefa3b0b43406c128be8257adf8b2 [1,0,0,0,0,1|2,0,0]=4 647 B12R1.27 CC[C@@H](C)NCc1cccnc1 b119e02beb918b7f43cb64ab2c69b801 [1,0,0,0,0,1|2,0,0]=4 648 B12R1.27 CC[C@@H](C)OCc1ccccc1 0a5e215baf34a258dd8987ff4d2156b3 [1,0,0,0,0,1|1,0,0]=3 649 B12R1.27 CC[C@@H](C)OCc1ccccn1 01fb0c2d8a73e699c5cca2351e7c51da [1,0,0,0,0,1|2,0,0]=4 650 B12R1.27 CC[C@@H](C)OCc1cccnc1 2a740981d9be19ca809d229b469f45a2 [1,0,0,0,0,1|2,0,0]=4 651 B12R1.27 CC[C@@H](O)CNc1ccccc1 765034dc37ea09fed7d7c3321191febe [1,0,0,0,0,1|2,0,0]=4 652 B12R1.27 CC[C@H](C)CNc1ccccc1 1ad1285ada078333483cb7913624769f [1,0,0,0,0,1|1,0,0]=3 653 B12R1.27 CC[C@H](C)CNc1ccccn1 75c9b55178b9e6cbffbfe52153637e1b [1,0,0,0,0,1|2,0,0]=4 654 B12R1.27 CC[C@H](C)CNc1cccnc1 2e0a2075fe988129d1dcbf5d21b158ec [1,0,0,0,0,1|2,0,0]=4 655 B12R1.27 CC[C@H](C)CNc1ccncc1 1476b49c3603a7542420a49c2bf3dc59 [1,0,0,0,0,1|2,0,0]=4 656 B12R1.27 CC[C@H](C)COc1ccccn1 f5b749782758cf24dab04e1718b2b720 [1,0,0,0,0,1|2,0,0]=4 657 B12R1.27 CC[C@H](C)COc1cccnc1 07e42e29a9d594c30776c88035bd838e [1,0,0,0,0,1|2,0,0]=4 658 B12R1.27 CC[C@H](C)COc1ccncc1 91877b6a13f619eb114c1ca0ccf0b7a7 [1,0,0,0,0,1|2,0,0]=4 659 B12R1.27 CC[C@H](C)NCc1ccccc1 1d652b15c79b972376b40d93f2c0c28b [1,0,0,0,0,1|1,0,0]=3 660 B12R1.27 CC[C@H](C)NCc1ccccn1 db87df854d63d8a538c09dd589fcce72 [1,0,0,0,0,1|2,0,0]=4 661 B12R1.27 CC[C@H](C)NCc1cccnc1 fa7be05a72600688ba61bb2a45c0e2c1 [1,0,0,0,0,1|2,0,0]=4 662 B12R1.27 CC[C@H](C)OCc1ccccc1 b8de8bd5177d460679bde97bee24bb31 [1,0,0,0,0,1|1,0,0]=3 663 B12R1.27 CC[C@H](C)OCc1ccccn1 095ff59c775b3964aafbd1681dc69b03 [1,0,0,0,0,1|2,0,0]=4 664 B12R1.27 CC[C@H](C)OCc1cccnc1 dc7942b08bf13064943cbe342b7c887c [1,0,0,0,0,1|2,0,0]=4 665 B12R1.27 CNC(=O)CNc1ccccc1 9c8781c492a9bef282f2e4766dfd7321 [1,0,0,0,0,1|1,0,1]=4 666 B12R1.27 COC(C)CNc1ccccc1 8b7aea6540e0014f2969161722152c0a [1,0,0,0,0,1|1,0,0]=3 667 B12R1.27 COC(C)CNc1ccccn1 aa1fffc4826b028b66ca3b6131bb2129 [1,0,0,0,0,1|2,0,0]=4 668 B12R1.27 COC(C)CNc1cccnc1 22ea1776f5c64fa404e2b1d10875769b [1,0,0,0,0,1|2,0,0]=4 669 B12R1.27 COC(C)CNc1ccncc1 8583756de850d35d798b9d18e790369d [1,0,0,0,0,1|2,0,0]=4 670 B12R1.27 COC(C)COc1ccccn1 f8dc8bfeccf22df73c7ed2e356fc48da [1,0,0,0,0,1|2,0,0]=4 671 B12R1.27 COC(C)COc1cccnc1 9293f71aa0063e3b71a6c85117d16856 [1,0,0,0,0,1|2,0,0]=4 672 B12R1.27 COC(C)COc1ccncc1 5fbc7e5892edbad02dcb9a66b68a62df [1,0,0,0,0,1|2,0,0]=4 673 B12R1.27 CO[C@@H](C)CNc1ccccc1 1db51b6397d595cc5bd1ef07b3dce178 [1,0,0,0,0,1|1,0,0]=3 674 B12R1.27 CO[C@@H](C)CNc1ccccn1 3f6f24d683b32bf983db741333c2969d [1,0,0,0,0,1|2,0,0]=4 675 B12R1.27 CO[C@@H](C)CNc1cccnc1 ed45e74a30d0fad7831c896f4455a3e9 [1,0,0,0,0,1|2,0,0]=4 676 B12R1.27 CO[C@@H](C)CNc1ccncc1 321a70901c24d6141307a3fd83345c5f [1,0,0,0,0,1|2,0,0]=4 677 B12R1.27 CO[C@@H](C)COc1ccccn1 74e5eb55678aa99f2f01dd02e58c0f99 [1,0,0,0,0,1|2,0,0]=4 678 B12R1.27 CO[C@@H](C)COc1cccnc1 4625df0874e428ea62a16a84848b31c3 [1,0,0,0,0,1|2,0,0]=4 679 B12R1.27 CO[C@@H](C)COc1ccncc1 a06e60f07f6a57574e8cbc8ff90265e7 [1,0,0,0,0,1|2,0,0]=4 680 B12R1.27 CO[C@H](C)CNc1ccccc1 b7b86a2dea3233b080c54d71a8f46990 [1,0,0,0,0,1|1,0,0]=3 681 B12R1.27 CO[C@H](C)CNc1ccccn1 04ec0231ca9bc4cf1eff96f841c37724 [1,0,0,0,0,1|2,0,0]=4 682 B12R1.27 CO[C@H](C)CNc1cccnc1 3d28dbb191d334198e2e90ddce2fa1a4 [1,0,0,0,0,1|2,0,0]=4 683 B12R1.27 CO[C@H](C)CNc1ccncc1 bd2ba612a637b68c883a6591cf32e881 [1,0,0,0,0,1|2,0,0]=4 684 B12R1.27 CO[C@H](C)COc1ccccn1 48788836bfd03aade6f0bd2c51b60c5c [1,0,0,0,0,1|2,0,0]=4 685 B12R1.27 CO[C@H](C)COc1cccnc1 a0e969ee0f3c10fe22a63e3d03e64109 [1,0,0,0,0,1|2,0,0]=4 686 B12R1.27 CO[C@H](C)COc1ccncc1 8e99d9b0419ebb5515c91639e755a31d [1,0,0,0,0,1|2,0,0]=4 687 B12R1.27 C[C@@H](CO)CNc1ccccc1 8acaf8396f10bf3948fe3b52f4656e75 [1,0,0,0,0,1|2,0,0]=4 688 B12R1.27 C[C@@H](CO)NCc1ccccc1 a52866c987a35d6e1a5b62fda8afddea [1,0,0,0,0,1|2,0,0]=4 689 B12R1.27 C[C@H](C=O)NCc1ccccc1 645b627cd889138b5240bcb1ce686b72 [1,0,0,0,0,1|2,0,0]=4 690 B12R1.27 C[C@H](C=O)OCc1ccccc1 d71860644cbe1541da13b3966902f7f7 [1,0,0,0,0,1|2,0,0]=4 691 B12R1.27 C[C@H](CO)CNc1ccccc1 de01f7c1f1d3b008ec664fad35110bba [1,0,0,0,0,1|2,0,0]=4 692 B12R1.27 C[C@H](CO)NCc1ccccc1 6eed9f4ff81e8b8226b9282b8f3ad13f [1,0,0,0,0,1|2,0,0]=4 693 B12R1.27 C[C@H](CS)OCc1ccccc1 76a62ad706fe4942b152f21141bdace8 [1,0,0,0,0,1|2,0,0]=4 694 B14R1.163 C#CC(C)NCC(O)c1ccccc1 56feb5e526dcf695facb634e87fcbe81 [0,0,0,0,0,2|1,0,1]=4 695 B14R1.163 C#CC(C)NC[C@@H](O)c1ccccc1 353ef7c9fc7a2cd77305cae8f0c7d91a [0,0,0,0,0,2|1,0,1]=4 696 B14R1.163 C#CC(C)NC[C@H](O)c1ccccc1 84aedcfaee07a9ac5f83ea6317be9a18 [0,0,0,0,0,2|1,0,1]=4 697 B14R1.163 C#C[C@@H](C)NCC(O)c1ccccc1 b87a542b77b053a8449343ba1ad9fb01 [0,0,0,0,0,2|1,0,1]=4 698 B14R1.163 C#C[C@@H](C)NC[C@@H](O)c1ccccc1 8e62adcf0c80f774ac530e7532040f52 [0,0,0,0,0,2|1,0,1]=4 699 B14R1.163 C#C[C@@H](C)NC[C@H](O)c1ccccc1 0624f1d3e38de8db2d12d1ab13314206 [0,0,0,0,0,2|1,0,1]=4 700 B14R1.163 C#C[C@H](C)NCC(O)c1ccccc1 c2d3e9b3440af20f4ee0348e927226cd [0,0,0,0,0,2|1,0,1]=4 701 B14R1.163 C#C[C@H](C)NC[C@@H](O)c1ccccc1 2f09b2486c17fb9b3b0d2fcf81bd2982 [0,0,0,0,0,2|1,0,1]=4 702 B14R1.163 C#C[C@H](C)NC[C@H](O)c1ccccc1 562ea29143842ccb960f1725b29a14bd [0,0,0,0,0,2|1,0,1]=4 703 B14R1.163 C=CC(C)NCC(O)c1ccccc1 dc252c1dc42f8b1ec71d07e76f20be80 [0,0,0,0,0,2|1,0,1]=4 704 B14R1.163 C=CC(C)NC[C@@H](O)c1ccccc1 84a20c2ee32a41a16e68f9eeee45a118 [0,0,0,0,0,2|1,0,1]=4 705 B14R1.163 C=CC(C)NC[C@H](O)c1ccccc1 1cbfa080c71e5b3b6819322bbc9fcf34 [0,0,0,0,0,2|1,0,1]=4 706 B14R1.163 CC(C#N)NCC(O)c1ccccc1 f535fe6cd1017890b1c7ecf57fa231d6 [0,0,0,0,0,2|2,0,0]=4 707 B14R1.163 CC(C=O)NCC(O)c1ccccc1 f29ae7fa0a201901264677175de1df7a [0,0,0,0,0,2|2,0,0]=4 708 B14R1.163 CC(C=O)NC[C@@H](O)c1ccccc1 954942188014e3f19fd95e20d12285b2 [0,0,0,0,0,2|2,0,0]=4 709 B14R1.163 CC(C=O)NC[C@H](O)c1ccccc1 7d089167d4c3e9c93ca3d4bd7d80367d [0,0,0,0,0,2|2,0,0]=4 710 B14R1.163 CC(CO)NCC(O)c1ccccc1 b1bf557f2dee94917553147239377916 [0,0,0,0,0,2|2,0,0]=4 711 B14R1.163 CCC(C)CNC(C)c1ccccc1 7cd1e981fcc1c8678782cd7fa901e9bc [0,0,0,0,0,2|2,0,0]=4 712 B14R1.163 CCC(C)CN[C@@H](C)c1ccccc1 f0f6c01d23e84631b7f4d29f9de4b750 [0,0,0,0,0,2|2,0,0]=4 713 B14R1.163 CCC(C)CN[C@H](C)c1ccccc1 cb76c3d7b0e86a1358a0d31dda13e35a [0,0,0,0,0,2|2,0,0]=4 714 B14R1.163 CCC(C)COC(C)c1ccccc1 975a5b17cab3c8d9cf96b6303fcba723 [0,0,0,0,0,2|2,0,0]=4 715 B14R1.163 CCC(C)CO[C@@H](C)c1ccccc1 c94228baf464d0f193229170e454901e [0,0,0,0,0,2|2,0,0]=4 716 B14R1.163 CCC(C)CO[C@H](C)c1ccccc1 7d8d30cd4e3aba8617f86534376d0f59 [0,0,0,0,0,2|2,0,0]=4 717 B14R1.163 CCC(C)NCC(O)c1ccccn1 2b8a9669d29b77524742128af1dced12 [0,0,0,0,0,2|2,0,0]=4 718 B14R1.163 CCC(C)NCC(O)c1cccnc1 4b796b69fd72012f2f4edd8219dc28d5 [0,0,0,0,0,2|2,0,0]=4 719 B14R1.163 CCC(C)NCC(O)c1ccncc1 684e69e00f3bcea1189d773dbb8aea77 [0,0,0,0,0,2|2,0,0]=4 720 B14R1.163 CCC(C)OCC(C)c1ccccc1 69b7883cc3ce1ccddc196ce6b7e4e66b [0,0,0,0,0,2|2,0,0]=4 721 B14R1.163 CCC(C)OC[C@@H](C)c1ccccc1 8c7ef06481567246c537c50db0c4ac7f [0,0,0,0,0,2|2,0,0]=4 722 B14R1.163 CCC(C)OC[C@H](C)c1ccccc1 e4b9a6515ff13e453b76e31ac04aa67b [0,0,0,0,0,2|2,0,0]=4 723 B14R1.163 CCN(C)CCC(O)c1ccccc1 c873531775e8025319efbdc506925490 [0,0,0,0,0,2|2,0,0]=4 724 B14R1.163 CCN(C)CC[C@@H](O)c1ccccc1 985e343e7bde3e24f4ce7dcc21b946c1 [0,0,0,0,0,2|2,0,0]=4 725 B14R1.163 CCN(C)CC[C@H](O)c1ccccc1 23fd3c1f466d98461e26332b7dc43f18 [0,0,0,0,0,2|2,0,0]=4 726 B14R1.163 CC[C@@H](C)CNC(C)c1ccccc1 ee745d797db06f0968ccf2c8a9e0b9de [0,0,0,0,0,2|2,0,0]=4 727 B14R1.163 CC[C@@H](C)CN[C@@H](C)c1ccccc1 76ce52e33dee14ba38ff34c1b343d099 [0,0,0,0,0,2|2,0,0]=4 728 B14R1.163 CC[C@@H](C)CN[C@H](C)c1ccccc1 bd549dd213b4a546c2db8ae77877c1ba [0,0,0,0,0,2|2,0,0]=4 729 B14R1.163 CC[C@@H](C)COC(C)c1ccccc1 995843f0e92f36005d16fe6eb1c93769 [0,0,0,0,0,2|2,0,0]=4 730 B14R1.163 CC[C@@H](C)CO[C@@H](C)c1ccccc1 6a2c6bdf981d409bab863a4c60eff534 [0,0,0,0,0,2|2,0,0]=4 731 B14R1.163 CC[C@@H](C)CO[C@H](C)c1ccccc1 e48a7546dd311704ba2a59903d871e75 [0,0,0,0,0,2|2,0,0]=4 732 B14R1.163 CC[C@@H](C)OCC(C)c1ccccc1 d1674e5315aa54e8761d22cf0fc2896b [0,0,0,0,0,2|2,0,0]=4 733 B14R1.163 CC[C@@H](C)OC[C@@H](C)c1ccccc1 36101bf12b3fde398b4630fa8685ce45 [0,0,0,0,0,2|2,0,0]=4 734 B14R1.163 CC[C@H](C)CNC(C)c1ccccc1 6aa6a51c792d349e9370f457d25eed4c [0,0,0,0,0,2|2,0,0]=4 735 B14R1.163 CC[C@H](C)CN[C@@H](C)c1ccccc1 68ba1f14910361c8b89151c2f94b0791 [0,0,0,0,0,2|2,0,0]=4 736 B14R1.163 CC[C@H](C)CN[C@H](C)c1ccccc1 e5875a637731f3e8cc48a28a645c1614 [0,0,0,0,0,2|2,0,0]=4 737 B14R1.163 CC[C@H](C)COC(C)c1ccccc1 3ec3519d511b269185cb6ab2459c6ae3 [0,0,0,0,0,2|2,0,0]=4 738 B14R1.163 CC[C@H](C)CO[C@@H](C)c1ccccc1 ab7d53133bd46b189fed490833c3a489 [0,0,0,0,0,2|2,0,0]=4 739 B14R1.163 CC[C@H](C)CO[C@H](C)c1ccccc1 c3fcf8a0c7fda5db8d395eb2944a8a86 [0,0,0,0,0,2|2,0,0]=4 740 B14R1.163 CC[C@H](C)OCC(C)c1ccccc1 cce50b840d6d4c9e5d690eb69b906f0d [0,0,0,0,0,2|2,0,0]=4 741 B14R1.163 CC[C@H](C)OC[C@@H](C)c1ccccc1 a7c27defab7f5946273a20e24e687dbc [0,0,0,0,0,2|2,0,0]=4 742 B14R1.163 COC(C)CNC(C)c1ccccc1 90e2ce028614066a33eaf8c8a95d38d0 [0,0,0,0,0,2|2,0,0]=4 743 B14R1.163 COC(C)CN[C@@H](C)c1ccccc1 2d6b57269ff47f3e4136ed63a8cd4ffd [0,0,0,0,0,2|2,0,0]=4 744 B14R1.163 COC(C)CN[C@H](C)c1ccccc1 e58c65aca60923b79b737b7b3c019dbd [0,0,0,0,0,2|2,0,0]=4 745 B14R1.163 COC(C)COC(C)c1ccccc1 ccb8a030c8995d58528f029dffa61bc9 [0,0,0,0,0,2|2,0,0]=4 746 B14R1.163 COC(C)CO[C@@H](C)c1ccccc1 0efebf70772dd80875fa291d50ec11ed [0,0,0,0,0,2|2,0,0]=4 747 B14R1.163 COC(C)CO[C@H](C)c1ccccc1 94efaeeb0b7e70c51a69b0195794ce9c [0,0,0,0,0,2|2,0,0]=4 748 B14R1.163 CO[C@@H](C)CNC(C)c1ccccc1 dcc1346112caad7b834b9206f181ae4f [0,0,0,0,0,2|2,0,0]=4 749 B14R1.163 CO[C@@H](C)CN[C@@H](C)c1ccccc1 f473ce9990340d6347adc4a01c13c93c [0,0,0,0,0,2|2,0,0]=4 750 B14R1.163 CO[C@@H](C)CN[C@H](C)c1ccccc1 187bc8e4aaa6b1bcfe1aca7a496882a5 [0,0,0,0,0,2|2,0,0]=4 751 B14R1.163 CO[C@@H](C)COC(C)c1ccccc1 c3908dfdbf8cb89be4bc7f54010de310 [0,0,0,0,0,2|2,0,0]=4 752 B14R1.163 CO[C@@H](C)CO[C@@H](C)c1ccccc1 45e7e44bb61f5e59dacebb65e6587ffc [0,0,0,0,0,2|2,0,0]=4 753 B14R1.163 CO[C@@H](C)CO[C@H](C)c1ccccc1 9c43a12d4f923d6f5622365fec44f40a [0,0,0,0,0,2|2,0,0]=4 754 B14R1.163 CO[C@H](C)CNC(C)c1ccccc1 7d4f076e35d141a8895ff7b2d3c3a8cd [0,0,0,0,0,2|2,0,0]=4 755 B14R1.163 CO[C@H](C)CN[C@@H](C)c1ccccc1 ce78537a5a4144fee78a1de8a93a0ca1 [0,0,0,0,0,2|2,0,0]=4 756 B14R1.163 CO[C@H](C)CN[C@H](C)c1ccccc1 0a7795d9fd8a5a66576b1a140b52f4ff [0,0,0,0,0,2|2,0,0]=4 757 B14R1.163 CO[C@H](C)COC(C)c1ccccc1 ff2396edd3db042a89acb4423cfbbcd1 [0,0,0,0,0,2|2,0,0]=4 758 B14R1.163 CO[C@H](C)CO[C@@H](C)c1ccccc1 5abf4bbd01c61904d444c9f42279d831 [0,0,0,0,0,2|2,0,0]=4 759 B14R1.163 CO[C@H](C)CO[C@H](C)c1ccccc1 5583a969e2df2b74e0ad5984ae0c6bde [0,0,0,0,0,2|2,0,0]=4 760 B14R1.163 C[C@@H](CO)NCC(O)c1ccccc1 ec76497c5ae897e784684ce9927bc93b [0,0,0,0,0,2|2,0,0]=4 761 B14R1.163 C[C@H](C=O)NCC(O)c1ccccc1 63bc11291429700586d605edea0c9ced [0,0,0,0,0,2|2,0,0]=4 762 B14R1.163 C[C@H](C=O)NC[C@@H](O)c1ccccc1 51807f10afac146b712d4cfa0070c44e [0,0,0,0,0,2|2,0,0]=4 763 B14R1.163 C[C@H](C=O)NC[C@H](O)c1ccccc1 e8d7621340b19f82d4cf8830f97aa13d [0,0,0,0,0,2|2,0,0]=4 764 B14R1.163 C[C@H](CO)NCC(O)c1ccccc1 30e8a9d4ae11c838db549f5800460473 [0,0,0,0,0,2|2,0,0]=4 765 B14R1.743 CCC(C)CC(C)Nc1ccccc1 4b1271b4448915dc091669864234ddaf [0,0,0,0,0,2|2,0,0]=4 766 B14R1.743 CCC(C)OC(C)Cc1ccccc1 e10770498a4125a279ef5e5af43378b2 [0,0,0,0,0,2|2,0,0]=4 767 B14R1.743 CCC(C)O[C@@H](C)Cc1ccccc1 4db3c3d9c06459bb87171784720bd012 [0,0,0,0,0,2|2,0,0]=4 768 B14R1.743 CCC(C)O[C@H](C)Cc1ccccc1 ddb550692f93641235abb8b45fa9d802 [0,0,0,0,0,2|2,0,0]=4 769 B14R1.756 CCC(C)C(C)NCc1ccccc1 c90d6c560ac4d5a03bf37a35c4381698 [0,0,0,0,0,2|2,0,0]=4 770 B14R1.756 CCC(C)C(C)OCc1ccccc1 386bb5f01a1b6930bf3b75f86fa0b81e [0,0,0,0,0,2|2,0,0]=4 771 B14R1.756 COC(C)C(C)OCc1ccccc1 4e052cd4e8194630784c34820ce7c9f2 [0,0,0,0,0,2|2,0,0]=4