0 B12R1.2629 CCNC1(CCCCC1)CCO 12bb4e1d6d93d56a1cd68dbc6248cdbe [0,0,0,0,0,0|3,0,0]=3 1 B12R1.2629 OCCC1(CCCCC1)NCF bc0b88b493b3e69fd1247d5e9a33fc8b [0,0,0,0,0,0|4,0,0]=4 2 B12R1.2629 OCCC1(CCCCC1)NCO 1baea7edfd162f9510a032c4da7a8aed [0,0,0,0,0,0|4,0,0]=4 3 B11R1.1253 C#CC1(CCCCC1)NCC b52ffe98f5f1d420f02065c6b3750b9f [1,0,0,0,0,0|1,0,2]=4 4 B11R1.1253 CCC1(CCOCC1)NCF 820ec8a8b7e8b3c7e26e7e0846589c2a [1,0,0,0,0,0|3,0,0]=4 5 B11R1.1253 CCC1(CCOCC1)NCO fd6edbeb941d1d733d30dc2f1f2c97f6 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.1253 CCNC1(CCCCC1)C#N d21c9260bd4b1d052e0dc22c9d157872 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.1253 CCNC1(CCCCC1)CO f7262f6d71b9e1bd59676dbdb0987030 [1,0,0,0,0,0|2,0,0]=3 8 B11R1.1253 CCNC1(CCOCC1)CC 904abf06506dfbcc4751ef0a7b40e8f1 [1,0,0,0,0,0|2,0,0]=3 9 B11R1.1253 CCNC1(CCOCC1)CO d8ba07d6f76f7a489271b81ca91e9c94 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.1253 CCNC1(CCSCC1)CO 482e89e1b984f44dacb32043d4af765a [1,0,0,0,0,0|3,0,0]=4 11 B11R1.1253 OCC1(CCCCC1)NCF 8536d78bdf5a6bd6debd568b9f5b3893 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.1253 OCNC1(CCCCC1)CO eb9901c2517aa77af4f8b8f3f5232792 [1,0,0,0,0,0|3,0,0]=4 13 B13R1.6426 CCCNC1(CCCCC1)CCO f80ebde591a4faff973f42ec414445f1 [0,1,0,0,0,0|3,0,0]=4 14 B13R1.6426 COCNC1(CCCCC1)CCO 2097c37d15963151379af673acd84761 [0,1,0,0,0,0|3,0,0]=4 15 B13R1.6426 CSCNC1(CCCCC1)CCO 05d8479d880a9e3dfa73b9ed96c9ec5c [0,1,0,0,0,0|3,0,0]=4 16 B13R1.6426 OCCC1(CCCCC1)NCCF 3e92ffa9b7e4ef0b0e6cca6896d9aad6 [0,1,0,0,0,0|3,0,0]=4 17 B13R1.6426 OCCC1(CCCCC1)NCCS bc704074df0be0ded2cfb0c6b22c88ba [0,1,0,0,0,0|3,0,0]=4 18 B13R1.6426 OCCNC1(CCCCC1)CCO 0c7a94ea99c1264034bbda949082f665 [0,1,0,0,0,0|3,0,0]=4 19 B13R1.7332 CCNC1(CCCCC1)C(=O)NC cfdc5345948d51e570301671490f8538 [0,1,0,0,0,0|3,0,0]=4 20 B13R1.7334 CC(C)NC1(CCCCC1)CCO 68cefa1b53fbbfa2ca17192c5e90fa40 [0,1,0,0,0,0|3,0,0]=4 21 B11R0.80 C#CCNCC(OCC)OCC 8ff9daf8d0de56eefed4a459927bb509 [0,0,1,0,0,0|1,0,2]=4 22 B11R0.80 C#CCOCC(OCC)OCC f439713db5f333277d5ccba6aecd1666 [0,0,1,0,0,0|1,0,2]=4 23 B11R0.80 C=C=CC(CCCCC)OCC 9acd64db7cc79b554d2a4c22afc1d1ab [0,0,1,0,0,0|1,0,2]=4 24 B11R0.80 C=CCC(CCCCC)OCC 3e5711888ef58950fa6b5eb2161ea271 [0,0,1,0,0,0|1,0,2]=4 25 B11R0.80 C=CCNCC(OCC)OCC 536d663a4aec1ee86ce409668b3fd236 [0,0,1,0,0,0|1,0,2]=4 26 B11R0.80 C=CCOCC(OCC)OCC 5cc6e24bbb9b9a83b9e28d66248a6721 [0,0,1,0,0,0|1,0,2]=4 27 B11R0.80 CCCCCC(CCC)OCC 87d2a9a9cf4ed9470371e4de97224290 [0,0,1,0,0,0|1,0,0]=2 28 B11R0.80 CCCCCC(CCC)OCF 53e39fee68638e86fdbaf437d28b7aab [0,0,1,0,0,0|2,0,0]=3 29 B11R0.80 CCCCCN(CCC)CCC 42aad926df9bd349a4d8eb326ce7cdcf [0,0,1,0,0,0|3,0,0]=4 30 B11R0.80 CCCCNC(CCC)CCC 63287083f7ee9e706c49f6e4c48afd2d [0,0,1,0,0,0|3,0,0]=4 31 B11R0.80 CCCCOC(CCC)CCC 167f934a469f966a87a7bdd76f70d4d6 [0,0,1,0,0,0|3,0,0]=4 32 B11R0.80 CCCNCC(CCC)CCC 94f6b394310c79c236f146cbc95f6114 [0,0,1,0,0,0|3,0,0]=4 33 B11R0.80 CCCNCC(OCC)OCC 5e8677cde19978ca6dda6311b454a4b3 [0,0,1,0,0,0|1,0,0]=2 34 B11R0.80 CCCOCC(CCC)CCC dd5fd45f3f26a6c282bf0758daa6f465 [0,0,1,0,0,0|3,0,0]=4 35 B11R0.80 CCCOCC(OCC)OCC 6c5077e376baa01c1f04d590ffcefdeb [0,0,1,0,0,0|1,0,0]=2 36 B11R0.80 CCNCCC(OCC)OCC a22bce1ae0dfd66e44fa52d1caf1cad7 [0,0,1,0,0,0|1,0,0]=2 37 B11R0.80 CCOC(CCNC#N)OCC 9fe2318a8c8aa6b7e8e7a7174add69ee [0,0,1,0,0,0|2,0,1]=4 38 B11R0.80 CCOC(CCNC=O)OCC b58390559e3d8b3ab166e537dc1007bb [0,0,1,0,0,0|2,0,1]=4 39 B11R0.80 CCOC(CCNCF)OCC 50b4f6ff98138f31b33a26ffef5215c9 [0,0,1,0,0,0|2,0,0]=3 40 B11R0.80 CCOC(CCNCO)OCC 4787ada1abbd7d9f893467eadd078e8d [0,0,1,0,0,0|2,0,0]=3 41 B11R0.80 CCOC(CCOCF)OCC 439d020f6e1fd2f3ef4f67b4041d2e11 [0,0,1,0,0,0|2,0,0]=3 42 B11R0.80 CCOC(CNCC#N)OCC 80cd9e998d451bad137c6bd8147d6894 [0,0,1,0,0,0|2,0,1]=4 43 B11R0.80 CCOC(CNCC=O)OCC 623231f12c5028a18dce2f1da3fcb3e0 [0,0,1,0,0,0|2,0,1]=4 44 B11R0.80 CCOC(CNCCBr)OCC 75b938a33ff857b6b9264ca35b621caf [0,0,1,0,0,0|2,0,0]=3 45 B11R0.80 CCOC(CNCCF)OCC eadcd06707221e4d035caf64fd07d7ef [0,0,1,0,0,0|2,0,0]=3 46 B11R0.80 CCOC(CNCCI)OCC 0c0185cbb5379c926f133d346791d05a [0,0,1,0,0,0|2,0,0]=3 47 B11R0.80 CCOC(CNCCO)OCC cc468a0d8180a8f64f8af80b2a491527 [0,0,1,0,0,0|2,0,0]=3 48 B11R0.80 CCOC(CNCCS)OCC c36c98641f38b716b88d47bb25981c04 [0,0,1,0,0,0|2,0,0]=3 49 B11R0.80 CCOC(CNCOC)OCC 161f8a854c2a3a4e748cab69ff443f16 [0,0,1,0,0,0|2,0,0]=3 50 B11R0.80 CCOC(CNCSC)OCC 002ec51e2cac8f47bba0c140168a7f45 [0,0,1,0,0,0|2,0,0]=3 51 B11R0.80 CCOC(COCC#N)OCC a3d278c7d3744ec7971f548ce2ad7cf5 [0,0,1,0,0,0|2,0,1]=4 52 B11R0.80 CCOC(COCC=O)OCC 18ea7e79f4e17b5d49dcbb40056fbb2e [0,0,1,0,0,0|2,0,1]=4 53 B11R0.80 CCOC(COCCF)OCC 80d5de563968f5be37fb0f73852ae8ee [0,0,1,0,0,0|2,0,0]=3 54 B11R0.80 CCOC(COCCS)OCC 90691a5a10e3e64884811adb4b4b7fc3 [0,0,1,0,0,0|2,0,0]=3 55 B11R0.80 CCOC(COCOC)OCC 2dd0fa600d7d519469bcb29c9734e819 [0,0,1,0,0,0|2,0,0]=3 56 B11R0.80 CCOC(COCSC)OCC 2f56c547abcd661de3ce10bbb1376cd4 [0,0,1,0,0,0|2,0,0]=3 57 B11R0.80 CCOCCC(OCC)OCC 0fd56b960e759c52db7846cacfc22354 [0,0,1,0,0,0|1,0,0]=2 58 B13R2.6 CCN1CCCC12CCCCC2 45935dd51adaabc98dfa30064e370905 [0,0,0,1,0,0|2,0,0]=3 59 B13R2.6 CCN1CCCC12CCOCC2 2f1847810cbc05c0e84ca9a3a6723f00 [0,0,0,1,0,0|3,0,0]=4 60 B13R2.6 CCN1CCOC12CCCCC2 676e4b6df21ffd8b6be80ea545401fc1 [0,0,0,1,0,0|1,0,0]=2 61 B13R2.6 CCN1CCSC12CCCCC2 28feaa19bebf652bb4fc93e601a5b6fa [0,0,0,1,0,0|1,1,0]=3 62 B13R2.6 FCN1CCCC12CCCCC2 f656e1d56b18a87321ae9a4a2f57f521 [0,0,0,1,0,0|3,0,0]=4 63 B13R2.6 FCN1CCOC12CCCCC2 7aed709c25073ae155f645921e0370d5 [0,0,0,1,0,0|2,0,0]=3 64 B13R2.6 FCN1CCSC12CCCCC2 f31f5f9627c74c603f0bcb8fcd8d022d [0,0,0,1,0,0|2,1,0]=4 65 B13R2.6 O=CN1CCOC12CCCCC2 4d25149f49eb10a65d65c6403f20e83f [0,0,0,1,0,0|2,0,1]=4 66 B13R2.6 OCN1CCCC12CCCCC2 5842010d1cb7a0eb7e6bd18316a09be1 [0,0,0,1,0,0|3,0,0]=4 67 B13R2.6 OCN1CCOC12CCCCC2 add980324c9bd7c83cbdd2ead4f4f936 [0,0,0,1,0,0|2,0,0]=3 68 B13R2.6 OCN1CCSC12CCCCC2 641ca4e8186a8841da3ea0a5dc068693 [0,0,0,1,0,0|2,1,0]=4 69 B11R1.1242 CCNC1(CCCC1)CCO 63549c7f7ce4f0e6d0f3f1216ba1b3be [0,0,0,0,1,0|3,0,0]=4 70 B11R1.1242 CCNC1(CCCC1)COC 4098114ced6d0ea2a95c330d1dc36e5c [0,0,0,0,1,0|3,0,0]=4 71 B10R0.24 C#CC(CCCCC)OCC 90058fe546fc9404f4e240cfaf3f05cf [1,0,1,0,0,0|0,0,2]=4 72 B10R0.24 C#C[C@H](CCCCC)OCC cd21c033028f0cdb6396d49acdb07a59 [1,0,1,0,0,0|0,0,2]=4 73 B10R0.24 C=CC(CCCCC)OCC 6d5704efc3b1195bb916339612770471 [1,0,1,0,0,0|0,0,2]=4 74 B10R0.24 C=C[C@H](CCCCC)OCC 3a4d862c38cdc003a94c27a4e7b8df7f [1,0,1,0,0,0|0,0,2]=4 75 B10R0.24 CCCCCC(CC)OCC f1e5ecf57e6b559d8bd03908dd3f1294 [1,0,1,0,0,0|0,0,0]=2 76 B10R0.24 CCCCCC(CC)OCF 59d4d2947f06fa2eb36f9741580b0b52 [1,0,1,0,0,0|1,0,0]=3 77 B10R0.24 CCCCCN(CC)CCC f4575dfb52731309a5e57b12315cb064 [1,0,1,0,0,0|2,0,0]=4 78 B10R0.24 CCCCC[C@H](CC)OCC 40180de9fd9da42585f0165bff867107 [1,0,1,0,0,0|0,0,0]=2 79 B10R0.24 CCCCC[C@H](CC)OCF 652f1d5170cc534d22e3ce5296582866 [1,0,1,0,0,0|1,0,0]=3 80 B10R0.24 CCCCNC(CC)CCC ed05c4384a15381fe88f3d26b3376572 [1,0,1,0,0,0|2,0,0]=4 81 B10R0.24 CCCCOC(CC)CCC 5a3345c3fdcca9a094cc115eabb5cbe3 [1,0,1,0,0,0|2,0,0]=4 82 B10R0.24 CCCCO[C@H](CC)CCC a393df8aa8abbe82bcb4c3927372605f [1,0,1,0,0,0|2,0,0]=4 83 B10R0.24 CCCNCC(CC)OCC 2661ff2c6f6fc5b6dd3fed21ca2b480c [1,0,1,0,0,0|1,0,0]=3 84 B10R0.24 CCCOCC(CC)CCC 867870a6cc4bcebcf95a7d9dd0253964 [1,0,1,0,0,0|2,0,0]=4 85 B10R0.24 CCCOCC(CC)OCC 8066c8c754614fdb8f0636686e665743 [1,0,1,0,0,0|1,0,0]=3 86 B10R0.24 CCOC(CC)CNCCBr e6d7acd269d9f10d08b90f78534c6abb [1,0,1,0,0,0|2,0,0]=4 87 B10R0.24 CCOC(CC)CNCCF 69f837cf292ff74c69d8eb11a5eabe32 [1,0,1,0,0,0|2,0,0]=4 88 B10R0.24 CCOC(CC)CNCCI c09e16a2b9331c3e6029bdefe8d20af4 [1,0,1,0,0,0|2,0,0]=4 89 B10R0.24 CCOC(CC)CNCCO b2a99dfa4f3691b08b4064b6a840d631 [1,0,1,0,0,0|2,0,0]=4 90 B10R0.24 CCOC(CC)CNCCS 2283f03d8415f63e36966dede0f1e9c8 [1,0,1,0,0,0|2,0,0]=4 91 B10R0.24 CCOC(CC)COCCS 4bcfc008ee3d6f9ece1fbd29533ffc6d [1,0,1,0,0,0|2,0,0]=4 92 B10R0.24 CCOC(CC)COCOC cfdde3707e341fa5e25bcd0dc10fb155 [1,0,1,0,0,0|2,0,0]=4 93 B10R0.90 CCCCC(CCC)OCC 7572e0cccc824aa217c3aec8a6bd23e0 [1,0,1,0,0,0|1,0,0]=3 94 B10R0.90 CCCCC(CCC)OCF 1348fbc2125e146f3af9815a2756daed [1,0,1,0,0,0|2,0,0]=4 95 B10R0.90 CCNCC(OCC)OCC bd404d2490ffb437b699538e1ef6c965 [1,0,1,0,0,0|1,0,0]=3 96 B10R0.90 CCOC(CNCF)OCC d9ecbeaa79d39714311a398b1ae61e2e [1,0,1,0,0,0|2,0,0]=4 97 B10R0.90 CCOC(CNCO)OCC 3686836e7b627fe8f54004adbc963a45 [1,0,1,0,0,0|2,0,0]=4 98 B10R0.90 CCOC(COCF)OCC 17256885c6e25f28a36f518219f12af8 [1,0,1,0,0,0|2,0,0]=4 99 B10R0.90 CCOCC(OCC)OCC 341891c4b45763dbfd1555fa25b3e934 [1,0,1,0,0,0|1,0,0]=3 100 B10R1.377 CC1(CCCCC1)NCF 8572a67883f415f592d0fcf6b91e1df6 [2,0,0,0,0,0|2,0,0]=4 101 B10R1.377 CC1(CCCCC1)NCO f2c2c67aa89f96e757f2d9d4c78c9e25 [2,0,0,0,0,0|2,0,0]=4 102 B10R1.377 CCNC1(CCCCC1)C 7bc1f4879cc7d7ffbc85efc0d1503c20 [2,0,0,0,0,0|1,0,0]=3 103 B10R1.377 CCNC1(CCOCC1)C f4ee0ce5d70c5f29761ca5ca9f407dde [2,0,0,0,0,0|2,0,0]=4 104 B12R0.22 CCCN(C)CC(OCC)OCC f8586bde9605fb0e7a29eeaeb3a140cc [0,1,1,0,0,0|1,0,0]=3 105 B12R0.22 CCOC(CN(C)CCF)OCC e44f7a96f394932ddaee8ff696419f25 [0,1,1,0,0,0|2,0,0]=4 106 B12R0.22 CCOC(CN(C)CCO)OCC 3c2af6f443d1617889c6abcd01040e14 [0,1,1,0,0,0|2,0,0]=4 107 B12R0.22 CCOC(CN(C)CCS)OCC e3b9f2819467eac624c3bf6990084e66 [0,1,1,0,0,0|2,0,0]=4 108 B12R0.22 CCOC(CN(C)COC)OCC a376c305cbdede43456eb7c727d3f71b [0,1,1,0,0,0|2,0,0]=4 109 B12R0.22 CCOC(CN(C)CSC)OCC 76ce08c71ff286933b5734e12c927f74 [0,1,1,0,0,0|2,0,0]=4 110 B12R0.100 CCCNC(=O)C(OCC)OCC 3b4cb12d43c7cedac57746585fd2477f [0,1,1,0,0,0|1,0,1]=4 111 B12R0.100 CCCNC(C)C(OCC)OCC bcb745cfa27a8cf40b0d33de617725c4 [0,1,1,0,0,0|1,0,0]=3 112 B12R0.100 CCCOC(C)C(OCC)OCC 4a4dcfd3b87400820214ecf53f7d8e38 [0,1,1,0,0,0|1,0,0]=3 113 B12R0.100 CCOC(OCC)C(C)NCCBr 62a074eeb743e1e46b5e12e2650ca5f1 [0,1,1,0,0,0|2,0,0]=4 114 B12R0.100 CCOC(OCC)C(C)NCCF 894b96be9aed3d704e0990c1341f30d7 [0,1,1,0,0,0|2,0,0]=4 115 B12R0.100 CCOC(OCC)C(C)NCCI 1e237751dbc727f17135e1ad26b93be8 [0,1,1,0,0,0|2,0,0]=4 116 B12R0.100 CCOC(OCC)C(C)NCCO 8b8bc982c98198c1012553de58c517ee [0,1,1,0,0,0|2,0,0]=4 117 B12R0.100 CCOC(OCC)C(C)NCCS fada5f3f2962515a81d9218a6d96852d [0,1,1,0,0,0|2,0,0]=4 118 B12R0.100 CCOC(OCC)C(C)NCOC 731979b3cbe9a084ddf22040e625ab5c [0,1,1,0,0,0|2,0,0]=4 119 B12R0.100 CCOC(OCC)C(C)NCSC 665459e4b7efa168d94a41b9225e9ea0 [0,1,1,0,0,0|2,0,0]=4 120 B12R0.100 CCOC(OCC)C(C)OCCS d00a1d025841bd1bd893d7c3bb96c79b [0,1,1,0,0,0|2,0,0]=4 121 B12R0.100 CCOC(OCC)C(C)OCOC 5b5b05d622d212e8c5ca88009c232c89 [0,1,1,0,0,0|2,0,0]=4 122 B12R0.118 C#CCOC(CCC)CCCCC 99d689a6f80effbced6549c0fbecd721 [0,1,1,0,0,0|1,0,1]=4 123 B12R0.118 C=CCOC(CCC)CCCCC c18543b18f2e684b76f4730140ca065d [0,1,1,0,0,0|1,0,1]=4 124 B12R0.118 CCCCCC(CCC)COCC 10b67198435768dda34c7d59fa8ad013 [0,1,1,0,0,0|1,0,0]=3 125 B12R0.118 CCCCCC(CCC)COCF 7dfcac9b065149947284aa0699c2a7ed [0,1,1,0,0,0|2,0,0]=4 126 B12R0.118 CCCCCC(CCC)OCC#N 7c6852e9ed33f86c58a1da911880ee96 [0,1,1,0,0,0|1,0,1]=4 127 B12R0.118 CCCCCC(CCC)OCC=O cd9148449207fbf4fc0f65e13553a140 [0,1,1,0,0,0|1,0,1]=4 128 B12R0.118 CCCCCC(CCC)OCCC a58fb59e7ab541d08a21b2ed8870a7c5 [0,1,1,0,0,0|1,0,0]=3 129 B12R0.118 CCCCCC(CCC)OCCF 46da2a23fb1fa176d26913874af89e56 [0,1,1,0,0,0|1,0,0]=3 130 B12R0.118 CCCCCC(CCC)OCCS ddaa3f63941f5c881ac2945f8ad66805 [0,1,1,0,0,0|1,0,0]=3 131 B12R0.118 CCCCCC(CCC)OCOC 74e2e6d8aab0f420f806a6a760c4fe6b [0,1,1,0,0,0|1,0,0]=3 132 B12R0.118 CCCCCC(CCC)OCSC 69c9e62a8043da2b65f3ce594cfe520e [0,1,1,0,0,0|1,0,0]=3 133 B12R0.118 CCCCCC(CCCC)OCC 65d9d726b9fdca5ccf68389c15e6ef14 [0,1,1,0,0,0|1,0,0]=3 134 B12R0.118 CCCCCC(CCCC)OCF 26530da26053fea7297ac1d47ea82a4c [0,1,1,0,0,0|2,0,0]=4 135 B12R0.118 CCCCCN(CCC)COCC e726987c0c186388602bfc9c251a4704 [0,1,1,0,0,0|2,0,0]=4 136 B12R0.160 CCOC(CCN(C)CC)OCC 71a7aaa54c5b7a4236a78714979de95f [0,1,1,0,0,0|1,0,0]=3 137 B12R0.160 CCOC(CNC(=O)CC)OCC d17d50dc8f6f4a07c93b02749a78db33 [0,1,1,0,0,0|1,0,1]=4 138 B12R0.160 CCOC(CNC(C)CC)OCC bbac98ca37041e0b7feb032b9d5223ca [0,1,1,0,0,0|1,0,0]=3 139 B12R0.160 CCOC(CNC(C)CO)OCC 51e614323d7974b7f25a4389d8cc6492 [0,1,1,0,0,0|2,0,0]=4 140 B12R0.160 CCOC(CN[C@@H](C)CC)OCC daf63fc2ff270f87e16cf97d8f95a3df [0,1,1,0,0,0|1,0,0]=3 141 B12R0.160 CCOC(CN[C@@H](C)CO)OCC b0868a74f8c8c647c8f8ea0172769814 [0,1,1,0,0,0|2,0,0]=4 142 B12R0.160 CCOC(CN[C@H](C)CC)OCC 3c8f957d3cb7829c593612b1228d1782 [0,1,1,0,0,0|1,0,0]=3 143 B12R0.160 CCOC(CN[C@H](C)CO)OCC e49362d6b415f87b978a9e7937be6e59 [0,1,1,0,0,0|2,0,0]=4 144 B12R0.160 CCOC(COC(C)CC)OCC 956c1151176aec6241cdb5ad030e6ef9 [0,1,1,0,0,0|1,0,0]=3 145 B12R0.160 CCOC(COC(C)CF)OCC 2f9c9d9a08132773524714feee471727 [0,1,1,0,0,0|2,0,0]=4 146 B12R0.160 CCOC(COC(C)CS)OCC 68620e6c629a5267ba0a6a3ebd72b979 [0,1,1,0,0,0|2,0,0]=4 147 B12R0.160 CCOC(CO[C@@H](C)CC)OCC 8fca7b18e6bec21c48c30deda41a2a4c [0,1,1,0,0,0|1,0,0]=3 148 B12R0.160 CCOC(CO[C@H](C)CC)OCC 54928ad0021aa7060e9951158b3d3299 [0,1,1,0,0,0|1,0,0]=3 149 B12R0.160 CCOC(CO[C@H](C)CS)OCC 8d4aa94dedfaf4b2dcc99a72212a8ec2 [0,1,1,0,0,0|2,0,0]=4 150 B12R0.164 C=C(C)CNCC(OCC)OCC b8c4588a2a967a604db91b794d0a58a7 [0,1,1,0,0,0|1,0,1]=4 151 B12R0.164 C=C(C)COCC(OCC)OCC a9ee2e8a6fadb520c70736be9470f195 [0,1,1,0,0,0|1,0,1]=4 152 B12R0.164 CCOC(CCNC(=O)C)OCC ed8f6aadaa7f59d153b846ba352d1f81 [0,1,1,0,0,0|1,0,1]=4 153 B12R0.164 CCOC(CCNC(C)C)OCC 84d9f09ca7405b58be3c5276744d0087 [0,1,1,0,0,0|1,0,0]=3 154 B12R0.164 CCOC(CCOC(C)C)OCC 8648bda03dfa6c8cf4a4fe24f2c798b1 [0,1,1,0,0,0|1,0,0]=3 155 B12R0.164 CCOC(CNCC(=O)C)OCC b38c63a4de647234befcd9f3403db6ad [0,1,1,0,0,0|1,0,1]=4 156 B12R0.164 CCOC(CNCC(C)C)OCC 41711a9855e77c6a637ec23dfb808c28 [0,1,1,0,0,0|1,0,0]=3 157 B12R0.164 CCOC(CNCC(C)O)OCC 7760c4b4c4309b9e1a0b0df401292f77 [0,1,1,0,0,0|1,0,0]=3 158 B12R0.164 CCOC(CNCC(F)F)OCC 69e7f0c2128f24c9e964ec6de0e8f666 [0,1,1,0,0,0|2,0,0]=4 159 B12R0.164 CCOC(CNCN(C)C)OCC dab6d46a525180425aab775752ac3bbc [0,1,1,0,0,0|2,0,0]=4 160 B12R0.164 CCOC(CNC[C@@H](C)O)OCC 783fcf1aeb7a073e099c2f97cc988392 [0,1,1,0,0,0|1,0,0]=3 161 B12R0.164 CCOC(CNC[C@H](C)O)OCC 1edf821e4b0e3f9da8620e5aac3c4f5d [0,1,1,0,0,0|1,0,0]=3 162 B12R0.164 CCOC(COCC(=O)C)OCC acc2b5831e3dab77ba76199a571d1a99 [0,1,1,0,0,0|1,0,1]=4 163 B12R0.164 CCOC(COCC(C)C)OCC 9530df6f5507c7c5eddcd5a3615cad29 [0,1,1,0,0,0|1,0,0]=3 164 B12R0.164 CCOC(COCC(C)F)OCC 41bb1878cc5409ca602c417e67a262de [0,1,1,0,0,0|1,0,0]=3 165 B12R0.164 CCOC(COCC(C)S)OCC 005759afc0eded35cc04a099309ee45f [0,1,1,0,0,0|1,0,0]=3 166 B12R0.164 CCOC(COCC(F)F)OCC 48b13e8bd5a5c93f5588974a8f2780ea [0,1,1,0,0,0|2,0,0]=4 167 B12R0.164 CCOC(COCN(C)C)OCC 14de0aba65aae67215e1bb17fd73da64 [0,1,1,0,0,0|2,0,0]=4 168 B12R0.164 CCOC(COC[C@@H](C)F)OCC 1235db0d9a719d3ec0a83adf14469341 [0,1,1,0,0,0|1,0,0]=3 169 B12R0.164 CCOC(COC[C@H](C)F)OCC cd1b9407bbc05214e7db2f4acfbdade2 [0,1,1,0,0,0|1,0,0]=3 170 B12R0.205 C#CCCNCC(OCC)OCC 1590d8d4871e317f13a4b44ba5df7cac [0,1,1,0,0,0|0,0,2]=4 171 B12R0.205 C#CCCOCC(OCC)OCC 31a8df58ca1afb74bd673ec094663906 [0,1,1,0,0,0|0,0,2]=4 172 B12R0.205 C#CCNCCC(OCC)OCC 4fce59225387781550496d6167f5484a [0,1,1,0,0,0|0,0,2]=4 173 B12R0.205 C#CCOCCC(OCC)OCC 5fcee8ded286f755c1840c10396cb207 [0,1,1,0,0,0|0,0,2]=4 174 B12R0.205 C/C=C/CNCC(OCC)OCC 47261049854f4ad4a0051668ffa782d8 [0,1,1,0,0,0|0,0,2]=4 175 B12R0.205 C/C=C/COCC(OCC)OCC b999aaee1394ac3cbe3e5a998680b433 [0,1,1,0,0,0|0,0,2]=4 176 B12R0.205 C/C=C\CNCC(OCC)OCC 2269a6d1688b9f079c6e8de44f829735 [0,1,1,0,0,0|0,0,2]=4 177 B12R0.205 C/C=C\COCC(OCC)OCC da08fa04a04937e20020a5dd94cc2853 [0,1,1,0,0,0|0,0,2]=4 178 B12R0.205 C=CCCNCC(OCC)OCC 0748c697a3b102e07afaa68c8df4e3a9 [0,1,1,0,0,0|0,0,2]=4 179 B12R0.205 C=CCCOCC(OCC)OCC 3f0a6011b359e3c804f82f7bc53191eb [0,1,1,0,0,0|0,0,2]=4 180 B12R0.205 C=CCNCCC(OCC)OCC b54e8bffabfc260f888b83a4a659ac0a [0,1,1,0,0,0|0,0,2]=4 181 B12R0.205 C=CCOCCC(OCC)OCC 7a0e5cdf9faba789cc1b804cd5b14c57 [0,1,1,0,0,0|0,0,2]=4 182 B12R0.205 CC#CCNCC(OCC)OCC 58cf272c29c0d6c2bda28afe4852b55f [0,1,1,0,0,0|0,0,2]=4 183 B12R0.205 CC#CCOCC(OCC)OCC 039b95a0c3ced12bde1a0e504c31f34c [0,1,1,0,0,0|0,0,2]=4 184 B12R0.205 CC=CCNCC(OCC)OCC 5b4f889c10209602bcd61b9688acfd59 [0,1,1,0,0,0|0,0,2]=4 185 B12R0.205 CC=CCOCC(OCC)OCC 770c2cc0de15e714cd7600eb8f92523c [0,1,1,0,0,0|0,0,2]=4 186 B12R0.205 CCCC(CCC)CCCOCC 442726579f37314c963991a756671112 [0,1,1,0,0,0|2,0,0]=4 187 B12R0.205 CCCCCCC(CCC)OCC e83d6d710d3f909f3101e67dc65fd336 [0,1,1,0,0,0|1,0,0]=3 188 B12R0.205 CCCCCCC(CCC)OCF 80e8515d91dd9c34d61b64bc98924cd9 [0,1,1,0,0,0|2,0,0]=4 189 B12R0.205 CCCCCNC(CCC)CCC 552b3ae8177c22a44ebbb5f004f09201 [0,1,1,0,0,0|2,0,0]=4 190 B12R0.205 CCCCCOC(CCC)CCC 58a77c4e6eb8bb5d5fd7e00573c0d674 [0,1,1,0,0,0|2,0,0]=4 191 B12R0.205 CCCCNCC(CCC)CCC 78a14f062867ab6542ea7495368b0528 [0,1,1,0,0,0|2,0,0]=4 192 B12R0.205 CCCCNCC(OCC)OCC 1332bdb66780923485b8460839e3a880 [0,1,1,0,0,0|0,0,0]=2 193 B12R0.205 CCCCOCC(CCC)CCC ece54de3e440fe9fe1268a4550e5030b [0,1,1,0,0,0|2,0,0]=4 194 B12R0.205 CCCCOCC(OCC)OCC 1520bb3d11d5c19240384f55d7fd5570 [0,1,1,0,0,0|0,0,0]=2 195 B12R0.205 CCCNCCC(OCC)OCC 3adf5af34ad01ddc1cb1dfe40ac00e98 [0,1,1,0,0,0|0,0,0]=2 196 B12R0.205 CCCOCCC(OCC)OCC ae171b0287a16be1ac90993133e14abe [0,1,1,0,0,0|0,0,0]=2 197 B12R0.205 CCNCCCC(OCC)OCC c9b9835a7fafce7342ce69ed084a9f66 [0,1,1,0,0,0|0,0,0]=2 198 B12R0.205 CCOC(CCCNC#N)OCC 6672116580f857cb3d7b2eaf45bdbfb8 [0,1,1,0,0,0|1,0,1]=4 199 B12R0.205 CCOC(CCCNC=O)OCC d47ec20c99ddaf9d403b7c0af8f96d24 [0,1,1,0,0,0|1,0,1]=4 200 B12R0.205 CCOC(CCCNCF)OCC c4cf767b08ee192dfee2b64a9cf3e9f1 [0,1,1,0,0,0|1,0,0]=3 201 B12R0.205 CCOC(CCCNCO)OCC 5551e305d8f298859697f54062290f5d [0,1,1,0,0,0|1,0,0]=3 202 B12R0.205 CCOC(CCNCC#N)OCC 5223162b30e77bf93428c630efafab95 [0,1,1,0,0,0|1,0,1]=4 203 B12R0.205 CCOC(CCNCC=O)OCC 0db8a4373ed52e3fd948fe9052640f10 [0,1,1,0,0,0|1,0,1]=4 204 B12R0.205 CCOC(CCNCCBr)OCC 38920d4347b13821d775e8efe9eb53e5 [0,1,1,0,0,0|1,0,0]=3 205 B12R0.205 CCOC(CCNCCF)OCC 4e1095209eb2c12a2f2c186e5f51b211 [0,1,1,0,0,0|1,0,0]=3 206 B12R0.205 CCOC(CCNCCI)OCC 986d857ac57720dd75d06ca28e383fe5 [0,1,1,0,0,0|1,0,0]=3 207 B12R0.205 CCOC(CCNCCO)OCC e2dc1bb0cf17c1d63800a63b897670a8 [0,1,1,0,0,0|1,0,0]=3 208 B12R0.205 CCOC(CCNCCS)OCC 3a1c038f0539a57301b20ea2a984966c [0,1,1,0,0,0|1,0,0]=3 209 B12R0.205 CCOC(CCNCOC)OCC da6ff2a6e5e468989399b70c5940491b [0,1,1,0,0,0|1,0,0]=3 210 B12R0.205 CCOC(CCNCSC)OCC 99420c8ad9f0c231e2027f3ce11d66dc [0,1,1,0,0,0|1,0,0]=3 211 B12R0.205 CCOC(CCOCC#N)OCC 9e42e3ffeac772a46a39575d644b2778 [0,1,1,0,0,0|1,0,1]=4 212 B12R0.205 CCOC(CCOCC=O)OCC 11666253936f751f6ca6d111225246dc [0,1,1,0,0,0|1,0,1]=4 213 B12R0.205 CCOC(CCOCCF)OCC 142021bc9b6e8886347d6e1ef110c87d [0,1,1,0,0,0|1,0,0]=3 214 B12R0.205 CCOC(CCOCCS)OCC 4363e1fe50e37b3ab026339fce93bae1 [0,1,1,0,0,0|1,0,0]=3 215 B12R0.205 CCOC(CCOCOC)OCC 7321e61130c49b244838481f1caf72cd [0,1,1,0,0,0|1,0,0]=3 216 B12R0.205 CCOC(CCOCSC)OCC dad087a17944c5c458b6fa275c932c44 [0,1,1,0,0,0|1,0,0]=3 217 B12R0.205 CCOC(CNCCC#N)OCC 1cacae052fa0bf3c9b267d786c3e19d8 [0,1,1,0,0,0|1,0,1]=4 218 B12R0.205 CCOC(CNCCC=O)OCC bdff622029d7002c569fdb65bcce037c [0,1,1,0,0,0|1,0,1]=4 219 B12R0.205 CCOC(CNCCCCl)OCC 8f8534e54246b6cbcd78a931dc139aba [0,1,1,0,0,0|1,0,0]=3 220 B12R0.205 CCOC(CNCCCF)OCC 06c0c8f2976ab0d5729e6b5ca7b39354 [0,1,1,0,0,0|1,0,0]=3 221 B12R0.205 CCOC(CNCCCO)OCC 018fde57f3b010b1d54fb4245aa33257 [0,1,1,0,0,0|1,0,0]=3 222 B12R0.205 CCOC(CNCCCS)OCC fed4d9ecd5ee5b1ea304f7c3b4740fe7 [0,1,1,0,0,0|1,0,0]=3 223 B12R0.205 CCOC(CNCCOC)OCC b3ebb379e16a8c4877c286621ec7fa39 [0,1,1,0,0,0|1,0,0]=3 224 B12R0.205 CCOC(CNCCON)OCC 859b997d28c1b4dcafef093a0a0b8d59 [0,1,1,0,0,0|2,0,0]=4 225 B12R0.205 CCOC(CNCCSC)OCC f8dffc64f16ff8f4e34dc3e8053eaf5d [0,1,1,0,0,0|1,0,0]=3 226 B12R0.205 CCOC(COCCC#N)OCC 38ad42774554e767d19dedd3e2c3b436 [0,1,1,0,0,0|1,0,1]=4 227 B12R0.205 CCOC(COCCC=O)OCC 2c8a2efac28cb97c6d7549db9f864e5b [0,1,1,0,0,0|1,0,1]=4 228 B12R0.205 CCOC(COCCCF)OCC 6effdd01c0789b8ddaceb0b9695e96b5 [0,1,1,0,0,0|1,0,0]=3 229 B12R0.205 CCOC(COCCCS)OCC d07f38daeb56390d2876ceeb83c50c78 [0,1,1,0,0,0|1,0,0]=3 230 B12R0.205 CCOC(COCCOC)OCC 18e4e9339b41879b141043930a2c7228 [0,1,1,0,0,0|1,0,0]=3 231 B12R0.205 CCOC(COCCSC)OCC 13a75ba6c4911dedd9f0406904841e52 [0,1,1,0,0,0|1,0,0]=3 232 B12R0.205 CCOCNCC(OCC)OCC 9eb8514c315609469cd02577d7cb5ce2 [0,1,1,0,0,0|1,0,0]=3 233 B12R0.205 CCOCOCC(OCC)OCC c3d761a30ed124641b836390e6a40101 [0,1,1,0,0,0|1,0,0]=3 234 B12R0.256 CCCCCC(CCC)OC(C)C 1b2363ad2989cdbc3a46c1d41e0a7c22 [0,1,1,0,0,0|1,0,0]=3 235 B12R1.2279 CCC1(CCOCC1)COCF 527cd85bdb1a87100bbe79831d1f727d [1,1,0,0,0,0|2,0,0]=4 236 B12R1.2279 CCC1(CCOCC1)NCCF d7a1d604a953ca86f1e848819f9b579f [1,1,0,0,0,0|2,0,0]=4 237 B12R1.2279 CCC1(CCOCC1)NCCO 03b948c178e1b72ca00d56952aa00384 [1,1,0,0,0,0|2,0,0]=4 238 B12R1.2279 CCC1(CCOCC1)NCCS 9b254cda05be7f1e32ce414628db5d79 [1,1,0,0,0,0|2,0,0]=4 239 B12R1.2279 CCC1(CCOCC1)NCOC 428907298f8a4e48a64fe5edea014d3a [1,1,0,0,0,0|2,0,0]=4 240 B12R1.2279 CCC1(CCOCC1)NCSC 683b0578c72a430b1d76ee10c7bb7942 [1,1,0,0,0,0|2,0,0]=4 241 B12R1.2279 CCCNC1(CCCCC1)CO 9d2b437d400a83882b33a243f687228b [1,1,0,0,0,0|2,0,0]=4 242 B12R1.2279 CCCNC1(CCOCC1)CC 7a56e7c04b7af286c70cdbaed3b575c6 [1,1,0,0,0,0|2,0,0]=4 243 B12R1.2279 CCNCC1(CCCCC1)CO 705086fc8b2837708e3340b0cc050461 [1,1,0,0,0,0|2,0,0]=4 244 B12R1.2279 CCNCC1(CCOCC1)CC 56cfc58eecdab6052093cf3447c4877b [1,1,0,0,0,0|2,0,0]=4 245 B12R1.2279 CCNCC1(CCOCC1)OC 6cc164623a715e635770e5b58d0d23aa [1,1,0,0,0,0|2,0,0]=4 246 B12R1.2279 CCOCC1(CCCCC1)C#N 0e683051a2942ec0f69c3414e89cd6e7 [1,1,0,0,0,0|1,0,1]=4 247 B12R1.2279 CCOCC1(CCCCC1)OC 26f20f5f8cc39d5b6f8eff7424f2112e [1,1,0,0,0,0|0,0,0]=2 248 B12R1.2279 CCOCC1(CCOCC1)CC cb54b2c7fb660d699859e698ddcb5c1f [1,1,0,0,0,0|1,0,0]=3 249 B12R1.2279 CCOCC1(CCOCC1)OC 7760ddb4f4b0c34e131432462ac1275f [1,1,0,0,0,0|1,0,0]=3 250 B12R1.2279 COC1(CCCCC1)COCF dd2ee2c9b75cde8889859d0958fd3691 [1,1,0,0,0,0|1,0,0]=3 251 B12R1.2279 COC1(CCOCC1)COCF 5ba16f55babcf0a5f8e32d705137f9f2 [1,1,0,0,0,0|2,0,0]=4 252 B12R1.2279 COCNC1(CCCCC1)CO 2576cc6cbfee29fecfc2d4a687c62c55 [1,1,0,0,0,0|2,0,0]=4 253 B12R1.2279 CSCNC1(CCCCC1)CO ab683f9890ae560195677cdbc18c8fe7 [1,1,0,0,0,0|2,0,0]=4 254 B12R1.2279 OCC1(CCCCC1)NCCF 58f127db3a09ac746c8a0b0663fef0db [1,1,0,0,0,0|2,0,0]=4 255 B12R1.2279 OCC1(CCCCC1)NCCS 1e9edf41684efde43d00ca29e55c6c88 [1,1,0,0,0,0|2,0,0]=4 256 B12R1.2279 OCCNC1(CCCCC1)CO ba89aa0e192a3445fbfe21012db46e5a [1,1,0,0,0,0|2,0,0]=4 257 B12R1.3862 CC(C)NC1(CCCCC1)CO 025f5085f4eea8264a0ef539705105ab [1,1,0,0,0,0|2,0,0]=4 258 B12R1.3862 CCC1(CCOCC1)NC(C)C 17eedaed72e48b93af0121383b7b4a07 [1,1,0,0,0,0|2,0,0]=4 259 B14R1.10689 CCOCC1(CCCCC1)C(=O)OC 463db9e123df8bfebd88c68d42dac8f5 [0,2,0,0,0,0|2,0,0]=4 260 B14R1.10691 CC(C)CC1(CCCCC1)COCF 29e7172e55c6fc145007894b7262de73 [0,2,0,0,0,0|2,0,0]=4 261 B14R1.10691 CCOCC1(CCCCC1)CC(C)C 7c6429f76a30a33c13259d23178b90f7 [0,2,0,0,0,0|1,0,0]=3 262 B14R1.10691 CCOCC1(CCCCC1)CN(C)C d80f7da2cc78e412f1154169b0d7c01c [0,2,0,0,0,0|2,0,0]=4 263 B14R1.17037 CCOCNC1(CCCCC1)CCO 09098e67d4485ee4d6a9590239a9eacf [0,2,0,0,0,0|2,0,0]=4 264 B14R1.18834 CCNC1(CCCCC1)C(=O)OCC 67007e13c20f49976d729894fee1d807 [0,2,0,0,0,0|1,0,0]=3 265 B14R1.18834 CCNC1(CCOCC1)C(=O)OCC 4f15bb602cafaddcc6e0fd447a436fbd [0,2,0,0,0,0|2,0,0]=4 266 B14R1.18834 CCOC(=O)C1(CCCCC1)NCF 482982a70aa9340c3c239fadba0d4cfb [0,2,0,0,0,0|2,0,0]=4 267 B14R1.18834 CCOC(=O)C1(CCCCC1)NCO 708527688b6a8d20f7e7bfe483cbdecc [0,2,0,0,0,0|2,0,0]=4 268 B12R1.278 CCCN1CCCC(C1)OCC 8dfdcd7e9f4b2da8d10181ecad677756 [0,0,1,1,0,0|2,0,0]=4 269 B12R1.278 CCCN1CCOC(C1)OCC de64f3b91d0b971c3bd8e3232581bbed [0,0,1,1,0,0|1,0,0]=3 270 B12R1.278 CCOC1CN(CCO1)CCF 0844e477aa36d509d1b23732f9933805 [0,0,1,1,0,0|2,0,0]=4 271 B12R1.278 CCOC1CN(CCO1)CCO 47bc4e377d301a204807885e2317ec03 [0,0,1,1,0,0|2,0,0]=4 272 B12R1.278 CCOC1CN(CCO1)CCS 81b0ad8ec5f8754377b2fb5ff3b03ee3 [0,0,1,1,0,0|2,0,0]=4 273 B12R1.278 CCOC1CN(CCO1)COC cf9b3c97eda8b6eb7cd6d8d3f40fda77 [0,0,1,1,0,0|2,0,0]=4 274 B12R1.278 CCOC1CN(CCO1)CSC da83685f06665efc8c3fbd92543eaf5c [0,0,1,1,0,0|2,0,0]=4 275 B12R1.293 CCCC(OCC)C1CCCC1 cc094c43f672cccca177def23d7e2aca [0,0,1,1,0,0|1,0,0]=3 276 B12R1.293 CCCC(OCF)C1CCCC1 f06ca2a386e12334c9dfc84c6ca521ad [0,0,1,1,0,0|2,0,0]=4 277 B12R1.320 CCCCC1CCCC1NCC 0ce98edd89a206f3bb2a11291e2c2050 [0,0,1,1,0,0|2,0,0]=4 278 B12R1.1510 CCOC(CN1CCC1)OCC 5688769d3c11ec05c6bb77000c66923a [0,0,1,1,0,0|1,0,0]=3 279 B12R1.1511 CCOC(CNC1CC1)OCC 18cf43f5b0cd4cf87cad02fdb481f00c [0,0,1,1,0,0|1,0,0]=3 280 B12R1.1511 CCOC(COC1CC1)OCC c35ba90458aa13c47d074d782070a332 [0,0,1,1,0,0|1,0,0]=3 281 B12R2.35 CCN1CCC12CCCCC2 5a8b304dda6c24a951bd3090e12503ca [1,0,0,1,0,0|1,0,0]=3 282 B12R2.35 CCN1CCC12CCCOC2 0f53e0db8e4f29e63bb05222e2db10ad [1,0,0,1,0,0|2,0,0]=4 283 B12R2.35 CCN1CCC12CCOCC2 d01787836e254e732147104935e486cd [1,0,0,1,0,0|2,0,0]=4 284 B12R2.35 FCN1CCC12CCCCC2 3eb0f01e78ac4d6910dc657750f9c8ea [1,0,0,1,0,0|2,0,0]=4 285 B12R2.35 OCN1CCC12CCCCC2 a5b2cf17af3454f3b0cb0837659fbbe0 [1,0,0,1,0,0|2,0,0]=4 286 B12R2.5724 CCNC12CCC(CC1)CC2 f1d507c285cce1b137f49197c2b37a52 [1,0,0,1,0,0|1,0,0]=3 287 B12R2.5724 FCNC12CCC(CC1)CC2 ae83a5715c92b7794158471c4ef2d6db [1,0,0,1,0,0|2,0,0]=4 288 B12R2.5724 OCNC12CCC(CC1)CC2 7318d2ad95be5b2cd2282243a3dca53e [1,0,0,1,0,0|2,0,0]=4 289 B12R2.4 CCN1CCCC12CCCC2 d4fa93cc33865a4b321d0cfdc144533c [0,0,0,1,1,0|2,0,0]=4 290 B14R2.11 CCN1CCOCC12CCCCC2 873c9d282e830d72f8fc857b951bfd5d [0,1,0,1,0,0|1,0,0]=3 291 B14R2.11 FCN1CCOCC12CCCCC2 bbd000a3c96982edfbed02491409a1b1 [0,1,0,1,0,0|2,0,0]=4 292 B14R2.11 OCN1CCOCC12CCCCC2 4a0f27b0eafa1c0fe4ca11cbd5c12427 [0,1,0,1,0,0|2,0,0]=4 293 B14R2.58 C#CCN1CCOC12CCCCC2 10857fef765a8ab7b3d81845bfd6048e [0,1,0,1,0,0|1,0,1]=4 294 B14R2.58 C=CCN1CCOC12CCCCC2 d5f14c7f7fcdcab75b9557cfb5afa38b [0,1,0,1,0,0|1,0,1]=4 295 B14R2.58 CCCN1CCCC12CCCCC2 223d321841e158f8dc0af020aea5cc06 [0,1,0,1,0,0|2,0,0]=4 296 B14R2.58 CCCN1CCOC12CCCCC2 7fe3c208c4945e4bbeed739d7dfd1686 [0,1,0,1,0,0|1,0,0]=3 297 B14R2.58 CCCN1CCSC12CCCCC2 3e0d8c747af73b014d998a7d34f65457 [0,1,0,1,0,0|1,1,0]=4 298 B14R2.58 COCN1CCCC12CCCCC2 7fac6e12ca7bff4472bbc42285d5ea21 [0,1,0,1,0,0|2,0,0]=4 299 B14R2.58 COCN1CCOC12CCCCC2 078849e07943910de776ea3b26da650c [0,1,0,1,0,0|1,0,0]=3 300 B14R2.58 COCN1CCSC12CCCCC2 9c0856e8286444bab699ad9017dfcd66 [0,1,0,1,0,0|1,1,0]=4 301 B14R2.58 CSCN1CCCC12CCCCC2 3fe8c63ffedf0bf7d38d203e4fee95be [0,1,0,1,0,0|2,0,0]=4 302 B14R2.58 CSCN1CCOC12CCCCC2 0a4e704e4f58af00eaa17fa465eeaa79 [0,1,0,1,0,0|1,0,0]=3 303 B14R2.58 CSCN1CCSC12CCCCC2 aa5612a61818558800cf837a6c67e67b [0,1,0,1,0,0|1,1,0]=4 304 B14R2.58 FCCN1CCCC12CCCCC2 f85f10f10b520e56898a517bfd2342e8 [0,1,0,1,0,0|2,0,0]=4 305 B14R2.58 FCCN1CCOC12CCCCC2 34eabc51d681ace700b6b6390785630e [0,1,0,1,0,0|1,0,0]=3 306 B14R2.58 FCCN1CCSC12CCCCC2 3dd5427a0a8de9fc64700dd5ae9894bf [0,1,0,1,0,0|1,1,0]=4 307 B14R2.58 N#CCN1CCOC12CCCCC2 4ead302bb06eec7c3be79703df244ef3 [0,1,0,1,0,0|1,0,1]=4 308 B14R2.58 O=CCN1CCOC12CCCCC2 63f7b968c856d06aef5b82fcd3f22c5f [0,1,0,1,0,0|1,0,1]=4 309 B14R2.58 OCCN1CCCC12CCCCC2 601097fa6433788d7c00b4640329623f [0,1,0,1,0,0|2,0,0]=4 310 B14R2.58 OCCN1CCOC12CCCCC2 9b5888be2e501a47cd1a0a95132dc438 [0,1,0,1,0,0|1,0,0]=3 311 B14R2.58 OCCN1CCSC12CCCCC2 f31c08429ffb1cd82837f4f424142144 [0,1,0,1,0,0|1,1,0]=4 312 B14R2.58 SCCN1CCCC12CCCCC2 f3d8c8ab8edffb5ea75655d260a3f2e0 [0,1,0,1,0,0|2,0,0]=4 313 B14R2.58 SCCN1CCOC12CCCCC2 e9004ceb81b0590ffc7979fab81ece9d [0,1,0,1,0,0|1,0,0]=3 314 B14R2.58 SCCN1CCSC12CCCCC2 b432455afd63a4498aa1859536d4a753 [0,1,0,1,0,0|1,1,0]=4 315 B14R2.15790 CCOCC12CCCCN1CCC2 2d79097a931d8e0a1c0f22e6108af3e1 [0,1,0,1,0,0|2,0,0]=4 316 B14R2.38170 CCN1CCCC2(C1)CCCCC2 1808ea59147a02523cbb5ffb9b0cf74c [0,1,0,1,0,0|2,0,0]=4 317 B14R2.38170 CCN1CCOC2(C1)CCCCC2 42858dee5ea020c72c2dcc22d4b2a1a9 [0,1,0,1,0,0|1,0,0]=3 318 B14R2.38170 CCN1CCOC2(C1)CCOCC2 dfec897e63a904a14deea52acd4ae9e2 [0,1,0,1,0,0|2,0,0]=4 319 B14R2.38170 FCN1CCOC2(C1)CCCCC2 74761ea17e91996f68013b8effd763ce [0,1,0,1,0,0|2,0,0]=4 320 B14R2.38170 OCN1CCOC2(C1)CCCCC2 5d74ee68e43b2fb7e1abb4c3e52b05ec [0,1,0,1,0,0|2,0,0]=4 321 B14R2.162 CCN1CCSC12CCC(CC2)C e59d1208f3064f74a61153506ac6f375 [0,1,0,1,0,0|1,1,0]=4 322 B14R2.55 CC(=O)N1CCOC12CCCCC2 a1efa9025977fba65c44894f610cfce6 [0,1,0,1,0,0|1,0,1]=4 323 B14R2.55 CC(C)N1CCCC12CCCCC2 e4377ef86ca80884e6ccb97a42b713c4 [0,1,0,1,0,0|2,0,0]=4 324 B14R2.55 CC(C)N1CCOC12CCCCC2 64f04daa7cf61f10888575f13ca5d66b [0,1,0,1,0,0|1,0,0]=3 325 B14R2.55 CC(C)N1CCSC12CCCCC2 7a3506fb423c2fb79dc35f5c52d1a74a [0,1,0,1,0,0|1,1,0]=4 326 B10R1.529 CCNC1(CCCC1)CO 658e87d296186979bd99941ce6f45e65 [1,0,0,0,1,0|2,0,0]=4