0 B15R1.1035 CCCCCN(C=O)Cc1ccccc1 1840bd4254ed86023466804d2c8f4e3a [0,0,0,0,0,0|1,0,3]=4 1 B15R1.1035 CCCCCN(CC)Cc1ccccn1 72deaebbec1ab49361e4410a8f9d53cf [0,0,0,0,0,0|3,0,1]=4 2 B15R1.1035 CCCCCN(CC)Cc1cccnc1 af74e6d5129d53cfe2b3394eeebd2661 [0,0,0,0,0,0|3,0,1]=4 3 B15R1.1035 CCCCCN(CC)Cc1ccncc1 942438e99c6cfdd49352b932a44617ce [0,0,0,0,0,0|3,0,1]=4 4 B15R1.1035 CCCCNC(CC)Cc1ccccc1 8a10862b13750a6673a20006c6926e20 [0,0,0,0,0,0|2,0,2]=4 5 B15R1.1035 CCCCNC(CO)Cc1ccccc1 5e432612d028e6684d47f3fca69acc9c [0,0,0,0,0,0|1,0,2]=3 6 B15R1.1035 CCCCN[C@@H](CO)Cc1ccccc1 11439d77d26779be7de21c0d4b965788 [0,0,0,0,0,0|1,0,2]=3 7 B15R1.1035 CCCCN[C@H](CO)Cc1ccccc1 d09fd08098c54e5718fef364e0ad9382 [0,0,0,0,0,0|1,0,2]=3 8 B15R1.1035 CCCCOC(CC)Cc1ccccc1 de61ceda8a716878da96b78e8f2dbbcf [0,0,0,0,0,0|2,0,2]=4 9 B15R1.1035 CCCNCC(CC)Cc1ccccc1 735f1c993781dedadbe16848e2b5d979 [0,0,0,0,0,0|2,0,2]=4 10 B15R1.1035 CCCNCC(CO)Cc1ccccc1 55fa9d70e95714c4b541d19f74ed9984 [0,0,0,0,0,0|1,0,2]=3 11 B15R1.1035 CCN(CCCCO)Cc1ccccc1 1734e8fd27b487d39fc4f9b421f26727 [0,0,0,0,0,0|3,0,1]=4 12 B15R1.1035 CCN(CCCOC)Cc1ccccc1 0e17f80d9d9958f3958da543dda6d033 [0,0,0,0,0,0|3,0,1]=4 13 B15R1.1035 CCN(CCCSC)Cc1ccccc1 c9f3346a0c089d3c46d73811e29cfa50 [0,0,0,0,0,0|3,0,1]=4 14 B15R1.1035 CCNCCN(CC)Cc1ccccc1 7ece95ef869b281a9b8f219d4c9cb44c [0,0,0,0,0,0|3,0,1]=4 15 B15R1.1035 CCOCCN(CC)Cc1ccccc1 b73e5ab151617240aafbd2911bd6e5f5 [0,0,0,0,0,0|3,0,1]=4 16 B15R1.1035 CCOCNC(CO)Cc1ccccc1 db0e304e3dd097df7443b452c03daecc [0,0,0,0,0,0|2,0,2]=4 17 B15R1.1035 CCOCN[C@@H](CO)Cc1ccccc1 ced9b5d354bce0b31e2e28e7116a4c8b [0,0,0,0,0,0|2,0,2]=4 18 B15R1.1035 CCOCN[C@H](CO)Cc1ccccc1 460016b7e2893f2fe36743843fb47e7a [0,0,0,0,0,0|2,0,2]=4 19 B15R1.1035 COCCCN(CF)Cc1ccccc1 afbfa9c2eb569c65cb30a7292dd6a307 [0,0,0,0,0,0|3,0,1]=4 20 B15R1.1035 COCCCN(CO)Cc1ccccc1 1354ba52f9eafb8c4f548c619c396741 [0,0,0,0,0,0|2,0,1]=3 21 B15R1.1035 COCCCN(CO)Cc1ccncc1 a2f09086fbf2849db10071c11a4c09be [0,0,0,0,0,0|3,0,1]=4 22 B15R1.1035 COCCNC(CO)Cc1ccccc1 b2a8a598d173a1d0696a08bb60af2371 [0,0,0,0,0,0|2,0,2]=4 23 B15R1.1035 COCCN[C@@H](CO)Cc1ccccc1 2916e4b06cde3e42037845dd2a4e1332 [0,0,0,0,0,0|2,0,2]=4 24 B15R1.1035 COCCN[C@H](CO)Cc1ccccc1 b70f5790a114dec3fc1ee088a8400bad [0,0,0,0,0,0|2,0,2]=4 25 B15R1.1035 COCNCC(CO)Cc1ccccc1 7b35d51b4776400ccecd2a502bdc1b7f [0,0,0,0,0,0|2,0,2]=4 26 B15R1.1035 CSCCNC(CO)Cc1ccccc1 edd81747c07064ed095af44d84c760bb [0,0,0,0,0,0|2,0,2]=4 27 B15R1.1035 CSCCN[C@@H](CO)Cc1ccccc1 3efc5648dd98258781bac172700bac72 [0,0,0,0,0,0|2,0,2]=4 28 B15R1.1035 CSCCN[C@H](CO)Cc1ccccc1 e0e2ca7a76b158ae7f7c1c1c0b0157cb [0,0,0,0,0,0|2,0,2]=4 29 B15R1.1035 CSCNCC(CO)Cc1ccccc1 377487cf26967b1976b3006b1f57e5ab [0,0,0,0,0,0|2,0,2]=4 30 B15R1.1035 OCC(CNCCF)Cc1ccccc1 480bc0020433687146975a417623a6af [0,0,0,0,0,0|2,0,2]=4 31 B15R1.1035 OCC(CNCCS)Cc1ccccc1 e97ae3c50401fa13629b0f5068495a7a [0,0,0,0,0,0|2,0,2]=4 32 B15R1.1035 OCC(Cc1ccccc1)NCCCF 537c8c1be4b41285e333eb162b2eafd1 [0,0,0,0,0,0|2,0,2]=4 33 B15R1.1035 OCC(Cc1ccccc1)NCCCS bc009c2a83e1c2a24b26a7cf49f1772a [0,0,0,0,0,0|2,0,2]=4 34 B15R1.1035 OCCCCN(CO)Cc1ccccc1 9bce551d90b9ea7b4da9e93e39cf5e42 [0,0,0,0,0,0|2,0,1]=3 35 B15R1.1035 OCCCNC(CO)Cc1ccccc1 129207144605eddef8e798eea7719bc1 [0,0,0,0,0,0|2,0,2]=4 36 B15R1.1035 OCCCN[C@@H](CO)Cc1ccccc1 469d83d9d8e59d21a87919de91993073 [0,0,0,0,0,0|2,0,2]=4 37 B15R1.1035 OCCCN[C@H](CO)Cc1ccccc1 08976955abbb5678378e8b9f40d9964c [0,0,0,0,0,0|2,0,2]=4 38 B15R1.1035 OCCNCC(CO)Cc1ccccc1 83bd1fb4184b99c396466a7c857b7a01 [0,0,0,0,0,0|2,0,2]=4 39 B15R1.1035 OC[C@@H](Cc1ccccc1)NCCCF e025c7688605aa50f07fa3f2a306f712 [0,0,0,0,0,0|2,0,2]=4 40 B15R1.1035 OC[C@@H](Cc1ccccc1)NCCCS d79dcf12917ba5eaa856446d1009baa0 [0,0,0,0,0,0|2,0,2]=4 41 B15R1.1035 OC[C@H](Cc1ccccc1)NCCCF 2f578a808136de8cfbfe8b9de0f74ea0 [0,0,0,0,0,0|2,0,2]=4 42 B15R1.1035 OC[C@H](Cc1ccccc1)NCCCS 095ddea2f8cad55dc3a977140b0202af [0,0,0,0,0,0|2,0,2]=4 43 B14R1.158 C#CCOC/C(=C/c1ccccc1)/C 05ee3b2024dec44f14c075a981fde449 [1,0,0,0,0,0|1,0,2]=4 44 B14R1.158 C/C(=C\c1ccccc1)/COCC#N c0560a5612ba344cd7d0381715939fb9 [1,0,0,0,0,0|2,0,1]=4 45 B14R1.158 C/C(=C\c1ccccc1)/COCC=O 45a31a88f953e0a51babddf27b0d63d7 [1,0,0,0,0,0|2,0,1]=4 46 B14R1.158 C/C(=C\c1ccccc1)/COCCF b6dbafa7fb98f0e7c238dadcd4dede50 [1,0,0,0,0,0|2,0,0]=3 47 B14R1.158 C/C(=C\c1ccccc1)/COCCS aef145cd26b4844c614e41f562fc5348 [1,0,0,0,0,0|2,0,0]=3 48 B14R1.158 C=CCOC/C(=C/c1ccccc1)/C 6d937967eea0b3dbe873fa364236150a [1,0,0,0,0,0|1,0,2]=4 49 B14R1.158 CCCCCC(=O)Nc1ccccc1 e2a0e278082a33d1d0b4f2cdccc3ff2d [1,0,0,0,0,0|1,0,1]=3 50 B14R1.158 CCCCCC(=O)Nc1ccccn1 e927480f8363656f1ad188008226523d [1,0,0,0,0,0|2,0,1]=4 51 B14R1.158 CCCCCC(=O)Nc1cccnc1 2e2438bcf11de0bec959a038ed163067 [1,0,0,0,0,0|2,0,1]=4 52 B14R1.158 CCCCCC(=O)Nc1ccncc1 994f0874e3900dfe71ca08e49ed79622 [1,0,0,0,0,0|2,0,1]=4 53 B14R1.158 CCCCCC(C)Nc1ccccc1 187d497381509adc4282e175bd8e2c9b [1,0,0,0,0,0|1,0,1]=3 54 B14R1.158 CCCCCC(C)Nc1ccccn1 2b493135a0ed222e0c93196df358fd96 [1,0,0,0,0,0|2,0,1]=4 55 B14R1.158 CCCCCC(C)Nc1cccnc1 793449659ccb8cddf45543583740e2e6 [1,0,0,0,0,0|2,0,1]=4 56 B14R1.158 CCCCCC(C)Nc1ccncc1 dbd9566ec8e373db76a015b3619ed589 [1,0,0,0,0,0|2,0,1]=4 57 B14R1.158 CCCCCC(C)Oc1ccccn1 074edf3e2633a8b5a45b1ec5bc416708 [1,0,0,0,0,0|2,0,1]=4 58 B14R1.158 CCCCCC(C)Oc1cccnc1 78b32b93da0ac19003f3560918e9bcca [1,0,0,0,0,0|2,0,1]=4 59 B14R1.158 CCCCCC(C)Oc1ccncc1 5a0d31f79b1c0e0290340684f6a1ad9c [1,0,0,0,0,0|2,0,1]=4 60 B14R1.158 CCCCCN(C)Cc1ccccc1 b48e8dc08c544e035c3ea41bcc93daab [1,0,0,0,0,0|1,0,1]=3 61 B14R1.158 CCCCCN(C)Cc1ccccn1 1c887d1a8858fa539d0af95cdf3dea87 [1,0,0,0,0,0|2,0,1]=4 62 B14R1.158 CCCCCN(C)Cc1cccnc1 d0f86e8390e926e2c38b8ea94042c7ed [1,0,0,0,0,0|2,0,1]=4 63 B14R1.158 CCCCCN(C)Cc1ccncc1 d1f376b6f1fe0141681f3bb0c41ff316 [1,0,0,0,0,0|2,0,1]=4 64 B14R1.158 CCCCC[C@H](C)Nc1ccccc1 d51008b49cefd983456b704de520d571 [1,0,0,0,0,0|1,0,1]=3 65 B14R1.158 CCCCC[C@H](C)Nc1ccccn1 b55fe5b46a413c3d00cc77ac18b16480 [1,0,0,0,0,0|2,0,1]=4 66 B14R1.158 CCCCC[C@H](C)Nc1cccnc1 7e2a958d388377580ffa6fc3bfdc0c38 [1,0,0,0,0,0|2,0,1]=4 67 B14R1.158 CCCCC[C@H](C)Nc1ccncc1 318d48e2386ffc3431daa380bd9f1cbb [1,0,0,0,0,0|2,0,1]=4 68 B14R1.158 CCCCC[C@H](C)Oc1ccccn1 101946d0e1c52a8334eb7842127d0cfd [1,0,0,0,0,0|2,0,1]=4 69 B14R1.158 CCCCC[C@H](C)Oc1cccnc1 a18b88880534a9f67d546924a31be648 [1,0,0,0,0,0|2,0,1]=4 70 B14R1.158 CCCCC[C@H](C)Oc1ccncc1 b9913811cf6cd2376941831b2aa16e80 [1,0,0,0,0,0|2,0,1]=4 71 B14R1.158 CCCCNC(=S)Nc1ccccc1 5bb1ad225035bbab1de97568ae1e3e5c [1,0,0,0,0,0|2,1,0]=4 72 B14R1.158 CCCCNC(C)Cc1ccccc1 3b7762a1c6f5672e948978257da74303 [1,0,0,0,0,0|1,0,2]=4 73 B14R1.158 CCCCOC(C)Cc1ccccc1 ab2153c7f8fcb0a3310f8e600a703606 [1,0,0,0,0,0|1,0,2]=4 74 B14R1.158 CCCCO[C@@H](C)Cc1ccccc1 6b645a8cf4c63a24eab209bb7c81a41e [1,0,0,0,0,0|1,0,2]=4 75 B14R1.158 CCCCO[C@H](C)Cc1ccccc1 3996e896c87535b72ac364442e7c8d2b [1,0,0,0,0,0|1,0,2]=4 76 B14R1.158 CCCNCC(=O)Cc1ccccc1 fbd3be896e058ff617827d986b0b591d [1,0,0,0,0,0|1,0,2]=4 77 B14R1.158 CCCNCC(=O)Nc1ccccc1 441a49bebce3b51bcb7f861f9096eed2 [1,0,0,0,0,0|2,0,1]=4 78 B14R1.158 CCCNCC(=O)Oc1ccccc1 88d936d2090641824396d26006e49f8f [1,0,0,0,0,0|2,0,1]=4 79 B14R1.158 CCCNCC(C)Oc1ccccc1 4d843df65d1d43a1ede8b6fb3a34b298 [1,0,0,0,0,0|2,0,1]=4 80 B14R1.158 CCCNCC(O)Cc1ccccc1 27e585b9d22f566b1f17996b21dbd85f [1,0,0,0,0,0|1,0,2]=4 81 B14R1.158 CCCOC/C(=C/c1ccccc1)/C 91702f059e5bea6d202e0c5a0feef3f8 [1,0,0,0,0,0|1,0,0]=2 82 B14R1.158 CCCOCC(=O)Cc1ccccc1 fe1c56b86b28c1c10c5b4f5d8a180617 [1,0,0,0,0,0|1,0,2]=4 83 B14R1.158 CCCOCC(=O)Nc1ccccc1 8683f628f4550610156028a18302610d [1,0,0,0,0,0|2,0,1]=4 84 B14R1.158 CCCOCC(=O)Oc1ccccc1 51e16b7d7771f8e1de065c13e8f3ad7d [1,0,0,0,0,0|2,0,1]=4 85 B14R1.158 CCCOCC(C)Oc1ccccc1 fbb52490de1a6bd12a89fb4b6c19ed04 [1,0,0,0,0,0|2,0,1]=4 86 B14R1.158 CCCOC[C@H](C)Oc1ccccc1 6138af96fc8a8a143a669ce4cfd0042d [1,0,0,0,0,0|2,0,1]=4 87 B14R1.158 CCNCCC(=O)Nc1ccccc1 31d156230c74c37cb029753d509e4544 [1,0,0,0,0,0|2,0,1]=4 88 B14R1.158 CCNCCN(C)Cc1ccccc1 32596d2800ee97820ecf2d430978b087 [1,0,0,0,0,0|2,0,1]=4 89 B14R1.158 CCOCCN(C)Cc1ccccc1 dd10060f0454f9d6e6690d3a69fdf972 [1,0,0,0,0,0|2,0,1]=4 90 B14R1.158 CCSCCN(C)Cc1ccccc1 52d7b0640dba380587d38e57dbcc9de2 [1,0,0,0,0,0|2,0,1]=4 91 B14R1.158 CN(CCCCF)Cc1ccccc1 23eec8dcebc1fd695d5cc42a69c21f8d [1,0,0,0,0,0|2,0,1]=4 92 B14R1.158 CN(CCCCO)Cc1ccccc1 da36ef5fc39b9d1640d12f9f86e0ad2c [1,0,0,0,0,0|2,0,1]=4 93 B14R1.158 COCCCC(=O)Nc1ccccc1 a3377aa6201790a23f82af956db1e4f2 [1,0,0,0,0,0|2,0,1]=4 94 B14R1.158 COCCCN(C)Cc1ccccc1 30f3c87614f9f69e803c24fa7945cc86 [1,0,0,0,0,0|2,0,1]=4 95 B14R1.158 COCOC/C(=C/c1ccccc1)/C f65968892e6d9dd4795e16e9154f0a79 [1,0,0,0,0,0|2,0,0]=3 96 B14R1.158 CSCCCC(=O)Nc1ccccc1 18d7b65e50c97e8c1561bbab6f264174 [1,0,0,0,0,0|2,0,1]=4 97 B14R1.158 CSCCCN(C)Cc1ccccc1 a753c339a7dfd8ded2e94e77b9db20d6 [1,0,0,0,0,0|2,0,1]=4 98 B14R1.158 CSCOC/C(=C/c1ccccc1)/C fabd5fbd8fb7410ff9ca9183b270598a [1,0,0,0,0,0|2,0,0]=3 99 B14R1.158 O=C(CCCCF)Nc1ccccc1 50dcdb52c850fa12db1b4f2853660794 [1,0,0,0,0,0|2,0,1]=4 100 B14R1.158 O=C(CCCCO)Nc1ccccc1 6c09d5784391676aed5f85e9724671ff [1,0,0,0,0,0|2,0,1]=4 101 B14R1.158 O=C(CCCCS)Nc1ccccc1 1b391fd7f430fe6c4236e70aa52adb4a [1,0,0,0,0,0|2,0,1]=4 102 B14R1.467 CCCCC(CC)Nc1ccccc1 e22982196a1307cd98ac03bd63077f68 [1,0,0,0,0,0|2,0,1]=4 103 B14R1.467 CCCCC(CO)Nc1ccccc1 2b25b00c202f0fc99576803ad3c854cf [1,0,0,0,0,0|1,0,1]=3 104 B14R1.467 CCCCC(CO)Nc1ccccn1 f287078ce148645742bfb862f0bec4cd [1,0,0,0,0,0|2,0,1]=4 105 B14R1.467 CCCCC(CO)Nc1cccnc1 baebd07dd3b39dd129f79169b9741477 [1,0,0,0,0,0|2,0,1]=4 106 B14R1.467 CCCCC(CO)Nc1ccncc1 aad57b52bcab6b36077587a9212e2866 [1,0,0,0,0,0|2,0,1]=4 107 B14R1.467 CCCCN(CC)Cc1ccccc1 2b63ab2f03a9a1deccd9572a9e6de185 [1,0,0,0,0,0|2,0,1]=4 108 B14R1.467 CCCCN(CF)Cc1ccccc1 2977f44ec1e36dd58b64f4324b8e80c3 [1,0,0,0,0,0|2,0,1]=4 109 B14R1.467 CCCCN(CO)Cc1ccccn1 25677424ad15e8c2961982f6f5c74c6b [1,0,0,0,0,0|2,0,1]=4 110 B14R1.467 CCCCN(CO)Cc1cccnc1 125b79b955021d9149f5a0608800f3e3 [1,0,0,0,0,0|2,0,1]=4 111 B14R1.467 CCCC[C@@H](CO)Nc1ccccc1 c1bd289367753544c3478bebfc7282cb [1,0,0,0,0,0|1,0,1]=3 112 B14R1.467 CCCC[C@@H](CO)Nc1cccnc1 d5311dc08dd03081d4568edbfa3cf351 [1,0,0,0,0,0|2,0,1]=4 113 B14R1.467 CCCC[C@H](CO)Nc1ccccc1 01f53505e65ba3203e3e9ac5de4edf42 [1,0,0,0,0,0|1,0,1]=3 114 B14R1.467 CCCC[C@H](CO)Nc1cccnc1 d8e2fe74534d502b80f23a97f4c698cc [1,0,0,0,0,0|2,0,1]=4 115 B14R1.467 CCCNC(CO)Cc1ccccc1 aca098aea34f4ede56f6f17ce44533f3 [1,0,0,0,0,0|1,0,2]=4 116 B14R1.467 CCCN[C@@H](CO)Cc1ccccc1 05ee3a90375fe8d7775a9c4cc1b8b2e7 [1,0,0,0,0,0|1,0,2]=4 117 B14R1.467 CCCN[C@H](CO)Cc1ccccc1 550fab230e1c6fb54e9f2add5a3bd413 [1,0,0,0,0,0|1,0,2]=4 118 B14R1.467 CCNCC(CO)Cc1ccccc1 4eb4ac45268b1b149102f9f0fa8f96c8 [1,0,0,0,0,0|1,0,2]=4 119 B14R1.467 CSCCC(CO)Nc1ccccc1 113a5338c8ac7e6fac80ed63af98d23d [1,0,0,0,0,0|2,0,1]=4 120 B14R1.467 CSCC[C@@H](CO)Nc1ccccc1 f34a13608cfe13011f66c3bddf47d6ca [1,0,0,0,0,0|2,0,1]=4 121 B14R1.467 CSCC[C@H](CO)Nc1ccccc1 fcc1e6e78741d61e69d9daee9a14ada1 [1,0,0,0,0,0|2,0,1]=4 122 B14R1.467 OCCCC(CO)Nc1ccccc1 1506266bcb738a71c9a1c250afec4ec0 [1,0,0,0,0,0|2,0,1]=4 123 B14R1.467 OCCCN(CO)Cc1ccccc1 72d1044cbf92019ab9e2062593863069 [1,0,0,0,0,0|2,0,1]=4 124 B16R1.1230 CCCCCN(CC)Cc1ccc(cc1)Br 3d7c703e30275b22505482c612373ee7 [0,1,0,0,0,0|2,0,1]=4 125 B16R1.1230 CCCCCN(CC)Cc1ccc(cc1)C ac65135157845595c9e49cfc64f153d3 [0,1,0,0,0,0|2,0,1]=4 126 B16R1.1230 CCCCCN(CC)Cc1ccc(cc1)Cl 346cb7e3373623d71096be7c3d76a1b9 [0,1,0,0,0,0|2,0,1]=4 127 B16R1.1230 CCCCCN(CC)Cc1ccc(cc1)F 2af70138cb3b501cb341d5c98cc2d847 [0,1,0,0,0,0|2,0,1]=4 128 B16R1.1230 CCCCCN(CF)Cc1ccc(cc1)F e20abf4e39de5159fdde1177a44b5a0e [0,1,0,0,0,0|2,0,1]=4 129 B16R1.1230 CCCCCN(CO)Cc1ccc(cc1)F 9dd5df56155acbff3341ac4d3627fcab [0,1,0,0,0,0|1,0,1]=3 130 B16R1.1230 CCCCNC(CO)Cc1ccc(cc1)C 6211cfc55d2a7fcd1879dc7bcdc32596 [0,1,0,0,0,0|1,0,2]=4 131 B16R1.1230 CCCCNC(CO)Cc1ccc(cc1)Cl 446c715ef44d5f2eb303a09033100fe5 [0,1,0,0,0,0|1,0,2]=4 132 B16R1.1230 CCCCNC(CO)Cc1ccc(cc1)F dfe6aef743ffa7d4bf45f3a14837c906 [0,1,0,0,0,0|1,0,2]=4 133 B16R1.1230 CCCCN[C@@H](CO)Cc1ccc(cc1)Br f17a2f5a71df0ca372980245e64f4a52 [0,1,0,0,0,0|1,0,2]=4 134 B16R1.1230 CCCCN[C@@H](CO)Cc1ccc(cc1)Cl b2489bb02e0e25e0688234511892dcbb [0,1,0,0,0,0|1,0,2]=4 135 B16R1.1230 CCCCN[C@@H](CO)Cc1ccc(cc1)F b7990bb7f50672c7b542c5e818671677 [0,1,0,0,0,0|1,0,2]=4 136 B16R1.1230 CCCCN[C@@H](CO)Cc1ccc(cc1)I 5a974c43518cb5410064d869eb34499b [0,1,0,0,0,0|1,0,2]=4 137 B16R1.1230 CCCCN[C@H](CO)Cc1ccc(cc1)Br 0bc2fa8909fb4064a9ca8347da95c7ec [0,1,0,0,0,0|1,0,2]=4 138 B16R1.1230 CCCCN[C@H](CO)Cc1ccc(cc1)C 2ce4a7b836cfc8908a6795c3913537af [0,1,0,0,0,0|1,0,2]=4 139 B16R1.1230 CCCCN[C@H](CO)Cc1ccc(cc1)Cl 5301119a970fa0186bf01cfbf68a29c7 [0,1,0,0,0,0|1,0,2]=4 140 B16R1.1230 CCCCN[C@H](CO)Cc1ccc(cc1)F 710fdfb730a10d8cb5b2d8d11972b9cf [0,1,0,0,0,0|1,0,2]=4 141 B16R1.1231 CCCCCN(CC)Cc1cccc(c1)F ee81d15f58a7ac8a7ba47fad6b7a18d4 [0,1,0,0,0,0|2,0,1]=4 142 B16R1.1231 CCCCCN(CC)Cc1cccc(c1)I 2c99dc6265c97083313634d97900ac7a [0,1,0,0,0,0|2,0,1]=4 143 B16R1.1231 CCCCNC(CO)Cc1cccc(c1)Br 433e06b8a0ac3ceff61840d1fd3f07d7 [0,1,0,0,0,0|1,0,2]=4 144 B16R1.1231 CCCCNC(CO)Cc1cccc(c1)C 63cd2fd64824d564da1711596cc2c441 [0,1,0,0,0,0|1,0,2]=4 145 B16R1.1231 CCCCNC(CO)Cc1cccc(c1)Cl 7295d970a361a460806a233fe9d5ed34 [0,1,0,0,0,0|1,0,2]=4 146 B16R1.1231 CCCCNC(CO)Cc1cccc(c1)F 3e0b9c5018db4587818eb88fdbc46341 [0,1,0,0,0,0|1,0,2]=4 147 B16R1.1231 CCCCN[C@@H](CO)Cc1cccc(c1)F 7c433f38d72def71241869b114921335 [0,1,0,0,0,0|1,0,2]=4 148 B16R1.1231 CCCCN[C@H](CO)Cc1cccc(c1)Br a306a5736905e52e60df3e56b85bc020 [0,1,0,0,0,0|1,0,2]=4 149 B16R1.1231 CCCCN[C@H](CO)Cc1cccc(c1)Cl 418d62f957e17430e3da5a0428a80e70 [0,1,0,0,0,0|1,0,2]=4 150 B16R1.1231 CCCCN[C@H](CO)Cc1cccc(c1)F a9fd96e344bf16b3265eabbb86816295 [0,1,0,0,0,0|1,0,2]=4 151 B16R1.1231 COCCCN(CO)Cc1cccc(c1)Br 8a779090a07baa368e17e090a1e4462d [0,1,0,0,0,0|2,0,1]=4 152 B16R1.1231 COCCCN(CO)Cc1cccc(c1)C f06cecb19509c0773822346ca9f7d103 [0,1,0,0,0,0|2,0,1]=4 153 B16R1.1231 COCCCN(CO)Cc1cccc(c1)F 0ad7a58286dda7e7faba64b4d183079d [0,1,0,0,0,0|2,0,1]=4 154 B16R1.1407 CCCCCNC(CC)Cc1ccccc1 96545bf450821a2a91bb0f95aafe5769 [0,1,0,0,0,0|1,0,2]=4 155 B16R1.1407 CCCCCNC(CO)Cc1ccccc1 17dbd54ec1e9e8f05f7a961033709968 [0,1,0,0,0,0|0,0,2]=3 156 B16R1.1407 CCCCCN[C@@H](CO)Cc1ccccc1 731baac51c3335dde23d344ab79a40cd [0,1,0,0,0,0|0,0,2]=3 157 B16R1.1407 CCCCCN[C@H](CO)Cc1ccccc1 2e58b4c06f55a512504f018a8d53edde [0,1,0,0,0,0|0,0,2]=3 158 B16R1.1407 CCCCCOC(CC)Cc1ccccc1 0285a584feb3e7a06f449a4ad8aa74fe [0,1,0,0,0,0|1,0,2]=4 159 B16R1.1407 CCCCNCC(CC)Cc1ccccc1 825ffa46763ccba629105caf2402e600 [0,1,0,0,0,0|1,0,2]=4 160 B16R1.1407 CCCCNCC(CO)Cc1ccccc1 a00f6b93937f51175a127b6e78df5ed8 [0,1,0,0,0,0|0,0,2]=3 161 B16R1.1407 CCCNCCN(CC)Cc1ccccc1 8d95d0b5d6c849eca38902f0fdbb715a [0,1,0,0,0,0|2,0,1]=4 162 B16R1.1407 CCCOCCN(CC)Cc1ccccc1 3ba09e0c09b26130de339931ed528540 [0,1,0,0,0,0|2,0,1]=4 163 B16R1.1407 CCN(CCCCOC)Cc1ccccc1 ed84d40d2e073b541cb86b93718c0ade [0,1,0,0,0,0|2,0,1]=4 164 B16R1.1407 CCNCCCN(CC)Cc1ccccc1 0f0bc1ba31f2df30739b7a1fadbb3a8b [0,1,0,0,0,0|2,0,1]=4 165 B16R1.1407 CCOCCCN(CC)Cc1ccccc1 0db35a28c45d678c340bbfd3dd818211 [0,1,0,0,0,0|2,0,1]=4 166 B16R1.1407 CCOCCNC(CO)Cc1ccccc1 f48fa3916475c80a372a7ef836362729 [0,1,0,0,0,0|1,0,2]=4 167 B16R1.1407 CCOCCN[C@@H](CO)Cc1ccccc1 a4bac427a902196a466f25aa6ee1096b [0,1,0,0,0,0|1,0,2]=4 168 B16R1.1407 CCOCCN[C@H](CO)Cc1ccccc1 0c8efc5b6e6029f77f0aa84441861661 [0,1,0,0,0,0|1,0,2]=4 169 B16R1.1407 CCOCNCC(CO)Cc1ccccc1 c21509c786556e0d1c3b4f62f40e19ac [0,1,0,0,0,0|1,0,2]=4 170 B16R1.1407 CCSCCCN(CC)Cc1ccccc1 4254e4aa6a2bdddf5b22fc0b2696732f [0,1,0,0,0,0|2,0,1]=4 171 B16R1.1407 CCSCCNC(CO)Cc1ccccc1 426f7667fa277e7442b5237087f21fe9 [0,1,0,0,0,0|1,0,2]=4 172 B16R1.1407 CCSCCN[C@@H](CO)Cc1ccccc1 b656dccd36cd08bd28df0a3b4542733c [0,1,0,0,0,0|1,0,2]=4 173 B16R1.1407 CCSCCN[C@H](CO)Cc1ccccc1 68a95430cf5bc9932c7819e134c60133 [0,1,0,0,0,0|1,0,2]=4 174 B16R1.1407 COCCCNC(CO)Cc1ccccc1 3da75249abfcee5c76032ebfa94b598b [0,1,0,0,0,0|1,0,2]=4 175 B16R1.1407 COCCCN[C@@H](CO)Cc1ccccc1 c1224566867a18f8a2bd8075349e97a1 [0,1,0,0,0,0|1,0,2]=4 176 B16R1.1407 COCCCN[C@H](CO)Cc1ccccc1 92330a8fa4319861075f66c14134cbe1 [0,1,0,0,0,0|1,0,2]=4 177 B16R1.1407 COCCNCC(CO)Cc1ccccc1 c98a7402fe0cc6c736867b8f7b94e0ec [0,1,0,0,0,0|1,0,2]=4 178 B16R1.1407 CSCCCNC(CO)Cc1ccccc1 174a3a37c798b324b7742488188e8397 [0,1,0,0,0,0|1,0,2]=4 179 B16R1.1407 CSCCCN[C@@H](CO)Cc1ccccc1 b7fe38732d603cba5cb39e104521031f [0,1,0,0,0,0|1,0,2]=4 180 B16R1.1407 CSCCCN[C@H](CO)Cc1ccccc1 8ef31b8935b469a69a6aad1ff74e2804 [0,1,0,0,0,0|1,0,2]=4 181 B16R1.1407 CSCCNCC(CO)Cc1ccccc1 655600ff30b9edcdaeaa42228b849b09 [0,1,0,0,0,0|1,0,2]=4 182 B16R1.1407 OCC(CNCCCF)Cc1ccccc1 c1d4a57a1959cd6574d81c299afa0f99 [0,1,0,0,0,0|1,0,2]=4 183 B16R1.1407 OCC(CNCCCS)Cc1ccccc1 2713fd4b05df7636d21014f37a96d761 [0,1,0,0,0,0|1,0,2]=4 184 B16R1.1407 OCC(Cc1ccccc1)NCCCCF 54ca9ea5acf974509e51e318c4807444 [0,1,0,0,0,0|1,0,2]=4 185 B16R1.1407 OCCCCCN(CO)Cc1ccccc1 29ab7718112b5cc2122e0cdfac948eda [0,1,0,0,0,0|1,0,1]=3 186 B16R1.1407 OCCCCNC(CO)Cc1ccccc1 46711d6d07ae5434bcca85b40a54766a [0,1,0,0,0,0|1,0,2]=4 187 B16R1.1407 OCCCCN[C@@H](CO)Cc1ccccc1 4de56622d80c342dd44233a9e0145415 [0,1,0,0,0,0|1,0,2]=4 188 B16R1.1407 OCCCCN[C@H](CO)Cc1ccccc1 30e49254fe5c8063236808d96f3560d5 [0,1,0,0,0,0|1,0,2]=4 189 B16R1.1407 OCCCNCC(CO)Cc1ccccc1 6f43408ee7efb4b10d9c09b932ef0ebf [0,1,0,0,0,0|1,0,2]=4 190 B16R1.1407 OC[C@@H](Cc1ccccc1)NCCCCF be4bf91cc7f52b82584178447c06049d [0,1,0,0,0,0|1,0,2]=4 191 B16R1.1407 OC[C@H](Cc1ccccc1)NCCCCF 98fb83bf5598469c261192efb982b539 [0,1,0,0,0,0|1,0,2]=4 192 B16R1.1420 CCCCCN(CC)C(C)c1ccccc1 06c43bbe60fa5238a001b7481ade72ef [0,1,0,0,0,0|2,0,1]=4 193 B16R1.1420 CCCCNC(CO)C(O)c1ccccc1 015d5de58282c470bf9f0540dd8048e7 [0,1,0,0,0,0|1,0,2]=4 194 B16R1.1420 CCCCN[C@@H](CO)[C@@H](O)c1ccccc1 d4136c1de1847a89a06771b8ed9ab26e [0,1,0,0,0,0|1,0,2]=4 195 B16R1.1420 CCCCN[C@H](CO)[C@H](O)c1ccccc1 4cef00332ccb84339918cb5c69658cef [0,1,0,0,0,0|1,0,2]=4 196 B16R1.1420 CCN(CCCCO)C(=O)c1ccccc1 b3e57038fc8083bc427d0ee8314dd8b1 [0,1,0,0,0,0|3,0,0]=4 197 B16R1.1420 CCN(CCCOC)C(=O)c1ccccc1 5820e9a1b0451245d15e46415800c9dd [0,1,0,0,0,0|3,0,0]=4 198 B16R1.1420 CCOCCN(CC)C(=O)c1ccccc1 9043a613b878fbec83b05e3f89ba3cf5 [0,1,0,0,0,0|3,0,0]=4 199 B16R1.1438 C#CCN(CCCCC)Cc1ccccc1 874cb00de992967cd46c379acbb5e3a0 [0,1,0,0,0,0|2,0,1]=4 200 B16R1.1438 C=CCN(CCCCC)Cc1ccccc1 e3dc049e2c4e4dc01dae0eabd772ec6e [0,1,0,0,0,0|2,0,1]=4 201 B16R1.1438 CCCCCN(CC#N)Cc1ccccc1 b96b9b8ea5af5bdceb5b80d2b25f3525 [0,1,0,0,0,0|2,0,1]=4 202 B16R1.1438 CCCCCN(CC=O)Cc1ccccc1 a11503f6fc21f02adbeb5f1b4fc35146 [0,1,0,0,0,0|1,0,2]=4 203 B16R1.1438 CCCCCN(CCC)Cc1ccccc1 c002eab84177e3109cc8e05794dc3d0b [0,1,0,0,0,0|2,0,1]=4 204 B16R1.1438 CCCCCN(CCO)Cc1ccccc1 35fd89115cade7e2945a4fbfea96711f [0,1,0,0,0,0|1,0,1]=3 205 B16R1.1438 CCCCCN(CCO)Cc1ccccn1 e03b9d739be1bb4ddfd5a85910d48458 [0,1,0,0,0,0|2,0,1]=4 206 B16R1.1438 CCCCCN(CCO)Cc1cccnc1 fe06f1d7479bc9c7528d18531c315430 [0,1,0,0,0,0|2,0,1]=4 207 B16R1.1438 CCCCNC(COC)Cc1ccccc1 48b04c07eebc184763ce8fcf11b7c347 [0,1,0,0,0,0|1,0,2]=4 208 B16R1.1438 CCCCN[C@@H](COC)Cc1ccccc1 adb87a9fa92291e776a147b052acae2d [0,1,0,0,0,0|1,0,2]=4 209 B16R1.1438 CCCCN[C@H](COC)Cc1ccccc1 14e5f56a229475f78892f93a74be739a [0,1,0,0,0,0|1,0,2]=4 210 B16R1.1438 CCOCCN(CCO)Cc1ccccc1 ced7556464e61bbb4817e0b83e2e1666 [0,1,0,0,0,0|2,0,1]=4 211 B16R1.1438 CCSCCN(CCO)Cc1ccccc1 9da2d733d418468648b35446cb736d7d [0,1,0,0,0,0|2,0,1]=4 212 B16R1.1438 COCCCN(CCO)Cc1ccccc1 3572d28c281fbddab43a64fe59e9240f [0,1,0,0,0,0|2,0,1]=4 213 B16R1.1438 COCCCN(COC)Cc1ccccc1 5000ea36ccc2f843dbca936355aa554a [0,1,0,0,0,0|2,0,1]=4 214 B16R1.1438 COCN(CCCCO)Cc1ccccc1 90d6d4cb7370a3cc33afc9e8a962bed3 [0,1,0,0,0,0|2,0,1]=4 215 B16R1.1438 CSCCCN(CCO)Cc1ccccc1 bf91751547836b510f129c55b5f22d72 [0,1,0,0,0,0|2,0,1]=4 216 B16R1.1438 OCCCCN(CCO)Cc1ccccc1 a5fa4204a2d8fc8c6b5715e835418469 [0,1,0,0,0,0|2,0,1]=4 217 B16R1.1759 CCCCCN(Cc1ccccc1)C(C)C b47336211b7f620d782ab975429bd52e [0,1,0,0,0,0|2,0,1]=4 218 B16R1.1759 CCCCOC(=Cc1ccccc1)C(=O)O bbd229f686ed3df43e4ff03451c7104f [0,1,0,0,0,0|1,0,1]=3 219 B16R1.1759 CCOCOC(=Cc1ccccc1)C(=O)O 7c126919c54d6b91bc2136a174349f7b [0,1,0,0,0,0|2,0,1]=4 220 B16R1.1759 COCCOC(=Cc1ccccc1)C(=O)O 9876f373db57bd0163b4cc7fae5fc263 [0,1,0,0,0,0|2,0,1]=4 221 B16R1.1759 CSCCOC(=Cc1ccccc1)C(=O)O 855836bd64249d81c063551e1a9593dc [0,1,0,0,0,0|2,0,1]=4 222 B16R1.1759 O=C(O)C(=Cc1ccccc1)OCCCF 4578cd21ff7619e5f0a793829bb7360b [0,1,0,0,0,0|2,0,1]=4 223 B16R1.1759 O=C(O)C(=Cc1ccccc1)OCCCS 13abad133d143fe657739a795cd84f86 [0,1,0,0,0,0|2,0,1]=4 224 B16R1.3379 CC(C)CCNC(CO)Cc1ccccc1 3b5be048e240e1017c744716175290bf [0,1,0,0,0,0|1,0,2]=4 225 B16R1.3379 CC(C)CCN[C@@H](CO)Cc1ccccc1 3d0f910146dea29cecaadd7e465d2b0c [0,1,0,0,0,0|1,0,2]=4 226 B16R1.3379 CC(C)CCN[C@H](CO)Cc1ccccc1 863b234bc9eab283a3316e810ea58ce7 [0,1,0,0,0,0|1,0,2]=4 227 B16R1.3379 CC(C)CNCC(CO)Cc1ccccc1 6bcd5f41ab31826ed405cfd613a5f035 [0,1,0,0,0,0|1,0,2]=4 228 B16R1.3379 CC(O)CCNC(CO)Cc1ccccc1 c3754609fda73c155b99b480805fcaeb [0,1,0,0,0,0|1,0,2]=4 229 B16R1.3379 CC(O)CCN[C@@H](CO)Cc1ccccc1 5f1335c4a79403bd772049a539dd2a8c [0,1,0,0,0,0|1,0,2]=4 230 B16R1.3379 CC(O)CCN[C@H](CO)Cc1ccccc1 23d2920aec9b35bf029fac4d243c52a6 [0,1,0,0,0,0|1,0,2]=4 231 B16R1.3379 CC(O)CNCC(CO)Cc1ccccc1 9732ff0e857619d57f501a1cdc740b6c [0,1,0,0,0,0|1,0,2]=4 232 B16R1.3379 CCN(CCCC(C)C)Cc1ccccc1 cec4395a133c283032c2bd162c84ee84 [0,1,0,0,0,0|2,0,1]=4 233 B16R1.3379 CN(C)CCCN(CO)Cc1ccccc1 9b17dba46c0147c16940d81e7d81559c [0,1,0,0,0,0|2,0,1]=4 234 B16R1.3379 C[C@@H](O)CNCC(CO)Cc1ccccc1 dfac9cb87b763167b79ada0293a63b92 [0,1,0,0,0,0|1,0,2]=4 235 B16R1.3379 C[C@H](O)CNCC(CO)Cc1ccccc1 8843e15676e35a6ffc09ec6032686f2a [0,1,0,0,0,0|1,0,2]=4 236 B16R1.3677 CCCCCN(CC)Cc1ccccc1C b375a61df77e424d16e4a57366ce7401 [0,1,0,0,0,0|2,0,1]=4 237 B16R1.3677 CCCCCN(CC)Cc1ccccc1F 06f6527fed0fd24c0261837fbd5f0c6f [0,1,0,0,0,0|2,0,1]=4 238 B16R1.3677 CCCCNC(CO)Cc1ccccc1C dd975e3a45122a119aa36348dc9ee5be [0,1,0,0,0,0|1,0,2]=4 239 B16R1.3677 CCCCNC(CO)Cc1ccccc1Cl e682d6a161cd85f5da99d3acbef5f54e [0,1,0,0,0,0|1,0,2]=4 240 B16R1.3677 CCCCNC(CO)Cc1ccccc1F 7c7a67594db56f2e5cb7dc7a435f0d7a [0,1,0,0,0,0|1,0,2]=4 241 B16R1.3677 CCCCN[C@H](CO)Cc1ccccc1C 8b26ac236f1704efc85f30124ae407c0 [0,1,0,0,0,0|1,0,2]=4 242 B16R1.3677 CCCCN[C@H](CO)Cc1ccccc1Cl 9877345dc34f5761ef1bb119189aac55 [0,1,0,0,0,0|1,0,2]=4 243 B16R1.3677 CCCCN[C@H](CO)Cc1ccccc1F ebebd2485dccd141fd5419517dcff93b [0,1,0,0,0,0|1,0,2]=4 244 B16R1.3677 COCCCN(CO)Cc1ccccc1F 965315055a72b91e3cc628bfd9d2fa66 [0,1,0,0,0,0|2,0,1]=4 245 B16R1.4400 CCC(C)CNC(CO)Cc1ccccc1 d385dbc59b0b214b007457db6819aac8 [0,1,0,0,0,0|1,0,2]=4 246 B16R1.4400 CCC(C)CN[C@@H](CO)Cc1ccccc1 6e8916d119d0032ba98a0be8a3e38ca0 [0,1,0,0,0,0|1,0,2]=4 247 B16R1.4400 CCC(C)CN[C@H](CO)Cc1ccccc1 0374dd3b71269e765164add52b24ad95 [0,1,0,0,0,0|1,0,2]=4 248 B16R1.4400 CCC(O)CN[C@H](CO)Cc1ccccc1 8e8c5683b05b47a16392228661e3c530 [0,1,0,0,0,0|1,0,2]=4 249 B16R1.4400 CC[C@@H](C)CNC(CO)Cc1ccccc1 ce27ff74381e1fe6c54f81b6fd63317c [0,1,0,0,0,0|1,0,2]=4 250 B16R1.4400 CC[C@@H](C)CN[C@@H](CO)Cc1ccccc1 3c016a9608a756521eb96a9c5d32ff45 [0,1,0,0,0,0|1,0,2]=4 251 B16R1.4400 CC[C@@H](C)CN[C@H](CO)Cc1ccccc1 e2af11fd92f7fc4320fac2012751974e [0,1,0,0,0,0|1,0,2]=4 252 B16R1.4400 CC[C@@H](O)CN[C@H](CO)Cc1ccccc1 a994c6625eada6875b4fbe78160f607e [0,1,0,0,0,0|1,0,2]=4 253 B16R1.4400 CC[C@H](C)CNC(CO)Cc1ccccc1 ff6b01cb0080bf5c8198fffa9e1d02ef [0,1,0,0,0,0|1,0,2]=4 254 B16R1.4400 CC[C@H](C)CN[C@@H](CO)Cc1ccccc1 70f7889aa9286f1e45011b390d492d36 [0,1,0,0,0,0|1,0,2]=4 255 B16R1.4400 CC[C@H](C)CN[C@H](CO)Cc1ccccc1 7bebaeb4d76909854d5c1874b8e86981 [0,1,0,0,0,0|1,0,2]=4 256 B16R2.2 CCC1CCN(CC1)Cc2ccccc2 a3b505689ea61e785bd7a115c87ce295 [0,0,0,1,0,0|2,0,1]=4 257 B16R2.35 CC1CCCC(C1C)Nc2ccccc2 46da0e3c31fee1b474bc673a379c787a [0,0,0,1,0,0|2,0,1]=4 258 B16R2.69 CC1CCCCCN1Cc2ccccc2 e12aaf4a2b958d70f1e14cc5d519b669 [0,0,0,1,0,0|2,0,1]=4 259 B16R2.69 O[C@@H]1CCCCC[C@H]1Nc2ccccc2 8d22808e786822a7f7e3c277d29c827a [0,0,0,1,0,0|1,0,1]=3 260 B16R2.69 O[C@@H]1CCCCC[C@H]1Nc2cccnc2 a9f84566c003a40ef386528594ec0f81 [0,0,0,1,0,0|2,0,1]=4 261 B16R2.69 O[C@H]1CCCCC[C@@H]1Nc2ccccc2 9ef1ff22d482465fd40095084ccf9df9 [0,0,0,1,0,0|1,0,1]=3 262 B16R2.69 O[C@H]1CCCCC[C@@H]1Nc2cccnc2 70f4e796b17f5a159d74cefdd25da348 [0,0,0,1,0,0|2,0,1]=4 263 B16R2.69 O[C@H]1CCCCC[C@H]1Nc2ccccc2 9ff3bec114fb8d51ed82272bac4d3f3c [0,0,0,1,0,0|1,0,1]=3 264 B16R2.69 O[C@H]1CCCCC[C@H]1Nc2cccnc2 9d9f6b5c59fb74ca2353238baf9aa9ba [0,0,0,1,0,0|2,0,1]=4 265 B16R2.92 CCCC1CCN(C1)Cc2ccccc2 adc6741c42d2a1b151e33577c9510123 [0,0,0,1,0,0|2,0,1]=4 266 B16R2.101 CCC(Nc1ccccc1)C2CCCC2 beda40d1ea9a56c960158d03864b5a51 [0,0,0,1,0,0|2,0,1]=4 267 B16R2.101 CCN(Cc1ccccc1)C2CCCC2 6ada89a10300073e993c65b89bf63a30 [0,0,0,1,0,0|2,0,1]=4 268 B16R2.101 OCC(Nc1ccccc1)C2CCCC2 4e125d3d3a7b6d96ab75c530e6b04c58 [0,0,0,1,0,0|1,0,1]=3 269 B16R2.101 OCC(Nc1ccccc1)C2CCOC2 3677c8d66c1eaa347085bc6cf30d35d6 [0,0,0,1,0,0|2,0,1]=4 270 B16R2.101 OCC(Nc1ccccn1)C2CCCC2 d82d883f144288eefa14218bb72f113a [0,0,0,1,0,0|2,0,1]=4 271 B16R2.101 OCC(Nc1cccnc1)C2CCCC2 6d9e54377964dc9fbcc34dd48d751b42 [0,0,0,1,0,0|2,0,1]=4 272 B16R2.101 OCC(Nc1ccncc1)C2CCCC2 cf799acf0dff62a20128c3cd9bb05684 [0,0,0,1,0,0|2,0,1]=4 273 B16R2.101 OCN(Cc1ccncc1)C2CCCC2 1ffc74b7f28a4f536184157cd0a86e0f [0,0,0,1,0,0|2,0,1]=4 274 B16R2.101 OC[C@@H](Nc1ccccc1)C2CCCC2 efa82297ca3c66addcafa47b478b0c67 [0,0,0,1,0,0|1,0,1]=3 275 B16R2.101 OC[C@@H](Nc1ccccn1)C2CCCC2 193b260cbd11b33314d135283f39f3b0 [0,0,0,1,0,0|2,0,1]=4 276 B16R2.101 OC[C@@H](Nc1cccnc1)C2CCCC2 74ed0be3feccee2358c4851e9ea1f6f5 [0,0,0,1,0,0|2,0,1]=4 277 B16R2.101 OC[C@@H](Nc1ccncc1)C2CCCC2 94841967cd557ff8426c59c9369933e8 [0,0,0,1,0,0|2,0,1]=4 278 B16R2.101 OC[C@H](Nc1ccccc1)C2CCCC2 dfa0b919dc5d96c834036139e09d66d7 [0,0,0,1,0,0|1,0,1]=3 279 B16R2.101 OC[C@H](Nc1ccccn1)C2CCCC2 96801f2eb590cfbd17cdc737c8742285 [0,0,0,1,0,0|2,0,1]=4 280 B16R2.101 OC[C@H](Nc1cccnc1)C2CCCC2 8c73593c559f2608e11993b53c29d3f6 [0,0,0,1,0,0|2,0,1]=4 281 B16R2.101 OC[C@H](Nc1ccncc1)C2CCCC2 b88b1a4dfa3105ebf0c057097fabff66 [0,0,0,1,0,0|2,0,1]=4 282 B16R2.112 CCCCN1c2ccccc2CC1CO 094f754f36704fcc4a27f0e59a1b8ec5 [0,0,0,1,0,0|1,0,2]=4 283 B16R2.112 CCCCN1c2ccccc2C[C@@H]1CO 285b634eed83c070d24fa448974dfaac [0,0,0,1,0,0|1,0,2]=4 284 B16R2.112 CCCCN1c2ccccc2C[C@H]1CO 3aaa5c9ddd6d128eb149fd74307a864e [0,0,0,1,0,0|1,0,2]=4 285 B16R2.112 CCCN[C@H]1c2ccccc2C[C@H]1CO da366b5d7acc3b6eba0e261fe83b63c4 [0,0,0,1,0,0|1,0,2]=4 286 B16R2.112 CCCNc1c(sc2c1cccc2)CO 8a3f220414cd8a7c4222d1874a956649 [0,0,0,1,0,0|2,0,1]=4 287 B16R2.165 CCN1CCCCCC1c2ccccc2 e3d162c604d42c5720b0ffe776263a68 [0,0,0,1,0,0|2,0,1]=4 288 B16R2.165 FCN1CCCCCC1c2ccccc2 50fa3600cd74ca0c3cfa4065486f6a16 [0,0,0,1,0,0|2,0,1]=4 289 B16R2.165 OCN1CCCCCC1c2ccccc2 e206505d980cb980492efdf52fcaea88 [0,0,0,1,0,0|1,0,1]=3 290 B16R2.165 OCN1CCCCCC1c2ccccn2 b5c6d126b7586d2f3d7659e985e711be [0,0,0,1,0,0|2,0,1]=4 291 B16R2.676 OCC(CNC1CC1)Cc2ccccc2 413ebde47261e7c08d1eb9806cc2d92d [0,0,0,1,0,0|1,0,2]=4 292 B16R2.676 OCC(Cc1ccccc1)NCC2CC2 52bfc8194bdfd677a3ea706428635a09 [0,0,0,1,0,0|1,0,2]=4 293 B16R2.676 OC[C@@H](Cc1ccccc1)NCC2CC2 6ba8a0d48f453581a6dd422f02c47175 [0,0,0,1,0,0|1,0,2]=4 294 B16R2.676 OC[C@H](Cc1ccccc1)NCC2CC2 b892ff0ea086224f6d26dfb803d483f7 [0,0,0,1,0,0|1,0,2]=4 295 B16R2.2211 c1ccc(cc1)CN2CCCCCCC2 7cf996e0d608dc74edef41b4f36b4521 [0,0,0,1,0,0|2,0,1]=4 296 B16R2.2265 CCCCCN1CCC1c2ccccc2 79161d1a66c64e8a81ffdbec25c061ee [0,0,0,1,0,0|2,0,1]=4 297 B16R2.2268 CCCCCN1C(C1c2ccccc2)C 7d0eda085e1437067c0ae254ea55682b [0,0,0,1,0,0|2,0,1]=4 298 B16R2.2268 CCCCCN1[C@@H]([C@@H]1c2ccccc2)C 9d7d960f0d1b15a31fd2312c7a9547c4 [0,0,0,1,0,0|2,0,1]=4 299 B16R2.2272 CCCCCN1Cc2ccccc2[C@H]1C 26f70c0ce76acdd424208b5ffa7feb73 [0,0,0,1,0,0|2,0,1]=4 300 B16R2.2272 CCCCNC1Cc2ccccc2C1O 83046ac7a5861cf0188381ba125886bb [0,0,0,1,0,0|1,0,2]=4 301 B16R2.2272 CCCCN[C@@H]1Cc2ccccc2[C@@H]1O b728efc8d15db2867cf021ae1837fbf9 [0,0,0,1,0,0|1,0,2]=4 302 B16R2.2272 CCCCN[C@H]1Cc2ccccc2[C@@H]1O adcaee303b44bd4a97aa659ceac23cb6 [0,0,0,1,0,0|1,0,2]=4 303 B16R2.2272 CCCCNc1cc2ccccc2n1C 1cc41e79a9389a0ea0266852318a50a7 [0,0,0,1,0,0|3,0,0]=4 304 B16R2.2272 CCCCOc1cc2ccccc2n1C cd1ffccaec3e849dc8431a876e25239a [0,0,0,1,0,0|3,0,0]=4 305 B16R2.2272 CCCNCc1cc2ccccc2n1C 58824d19dbbc324cc0004fd2afa92c31 [0,0,0,1,0,0|3,0,0]=4 306 B16R2.2272 CCCOCc1cc2ccccc2n1C 30d565ed3891f51408ecfa0c0bb68be4 [0,0,0,1,0,0|3,0,0]=4 307 B16R2.2441 C=CCOCC1=Cc2ccccc2OC1 27b690433ce712c6b6b3b3b1da2628eb [0,0,0,1,0,0|1,0,2]=4 308 B16R2.2441 CCCCCN1CCc2ccccc2C1 76cb9b2f186c9dd1d064c3b637738881 [0,0,0,1,0,0|2,0,1]=4 309 B16R2.2441 CCCCNC1COc2ccccc2C1 9fec672381c5d15bd0568d06ab4f6511 [0,0,0,1,0,0|1,0,2]=4 310 B16R2.2441 CCCCN[C@@H]1COc2ccccc2C1 f7c0f17c6392db0fb2e59d783b731f3c [0,0,0,1,0,0|1,0,2]=4 311 B16R2.2441 CCCCN[C@H]1COc2ccccc2C1 fd87b42d187a438f8d0c626a43c9c196 [0,0,0,1,0,0|1,0,2]=4 312 B16R2.2441 CCCCNc1cc2ccccc2cn1 7730af1b405cfe2f672a62aad972fcb9 [0,0,0,1,0,0|3,0,0]=4 313 B16R2.2441 CCCCNc1cc2ccccc2nn1 ce8aa1a758d751250e51210c7dda1080 [0,0,0,1,0,0|3,0,0]=4 314 B16R2.2441 CCCCNc1ccc2ccccc2c1 bff0a1c24d56f494fcff8808a6a4b789 [0,0,0,1,0,0|2,0,1]=4 315 B16R2.2441 CCCCNc1cnc2ccccc2c1 a727c6b7d42d251e953920ee1b982831 [0,0,0,1,0,0|2,0,1]=4 316 B16R2.2441 CCCCOc1cc2ccccc2cn1 eee54ee12f56f342d2bd2eb3bcdc49da [0,0,0,1,0,0|3,0,0]=4 317 B16R2.2441 CCCCOc1ccc2ccccc2c1 0b0bacbc8c654e532e12482b11c482d5 [0,0,0,1,0,0|2,0,1]=4 318 B16R2.2441 CCCCOc1cnc2ccccc2c1 092e69489bbbb69f5c5bcf2817a4e59b [0,0,0,1,0,0|2,0,1]=4 319 B16R2.2441 CCCNCC1COc2ccccc2C1 d0565f676a36f6de640dde4a44314db8 [0,0,0,1,0,0|1,0,2]=4 320 B16R2.2441 CCCNCC1COc2ccccc2O1 41377dd168fbd36af389b4bbfc668d57 [0,0,0,1,0,0|2,0,1]=4 321 B16R2.2441 CCCNC[C@@H]1COc2ccccc2O1 f567b15e183aca607c5c931095452dca [0,0,0,1,0,0|2,0,1]=4 322 B16R2.2441 CCCNC[C@H]1COc2ccccc2O1 f1c6ca3b58f0aee39891b2d456b097be [0,0,0,1,0,0|2,0,1]=4 323 B16R2.2441 CCCNCc1cc2ccccc2cn1 4c6869363ce04ed2cef5538d4febf732 [0,0,0,1,0,0|3,0,0]=4 324 B16R2.2441 CCCNCc1ccc2ccccc2c1 52da71a9250f73ab838f218a24347eac [0,0,0,1,0,0|2,0,1]=4 325 B16R2.2441 CCCNCc1cnc2ccccc2c1 b396bab4c46e08e203b1701ca9bfe001 [0,0,0,1,0,0|2,0,1]=4 326 B16R2.2441 CCCOCC1COc2ccccc2C1 05ed9d765980a9a09f0dc7b234cc1cdd [0,0,0,1,0,0|1,0,2]=4 327 B16R2.2441 CCCOCC1COc2ccccc2O1 4087afcb869da7707fa1cce4cd8c003a [0,0,0,1,0,0|2,0,1]=4 328 B16R2.2441 CCCOC[C@@H]1COc2ccccc2O1 bed719c32b9b700b7fac3aa655731ca3 [0,0,0,1,0,0|2,0,1]=4 329 B16R2.2441 CCCOC[C@H]1COc2ccccc2O1 e4c55528f3e480814415c4c6030861a3 [0,0,0,1,0,0|2,0,1]=4 330 B16R2.2441 CCCOCc1cc2ccccc2cn1 326bd29746217b04fc0de5dfb8943226 [0,0,0,1,0,0|3,0,0]=4 331 B16R2.2441 CCCOCc1ccc2ccccc2c1 a82a8f95759d614ebcc83007813c2de7 [0,0,0,1,0,0|2,0,1]=4 332 B16R2.2441 CCCOCc1cnc2ccccc2c1 633b41ec1f56b2b6afd92fee4f8d9471 [0,0,0,1,0,0|2,0,1]=4 333 B16R2.2441 CCNCCC1COc2ccccc2O1 3d57c06c074e72a2684ca2022ae6af33 [0,0,0,1,0,0|2,0,1]=4 334 B16R2.2441 CCNCCc1ccc2ccccc2c1 b46602817a13caec7a44c990dd3eeeae [0,0,0,1,0,0|2,0,1]=4 335 B16R2.2441 CCOCCC1COc2ccccc2O1 3b38115f306b06d94abf5158422a0d91 [0,0,0,1,0,0|2,0,1]=4 336 B16R2.2441 CCOCCc1ccc2ccccc2c1 4a7c9f688d4bc7381d3f2ce48107997b [0,0,0,1,0,0|2,0,1]=4 337 B16R2.2441 N#CCOCC1=Cc2ccccc2OC1 11283bdf30c382cf2615ff1d99f29e6c [0,0,0,1,0,0|2,0,1]=4 338 B16R2.2441 O=CCOCC1=Cc2ccccc2OC1 77d81ddd1e0904b31d126f9273c9bf07 [0,0,0,1,0,0|2,0,1]=4 339 B16R2.3258 CC1CCCN(CC1)Cc2ccccc2 7e61fe0baa1d5c499fc0f990dfdbfd27 [0,0,0,1,0,0|2,0,1]=4 340 B16R2.29082 CCN(Cc1ccccc1)CC2CCC2 9bbc2cd8fd5c48401e193b72122e822e [0,0,0,1,0,0|2,0,1]=4 341 B16R2.29082 OCN(Cc1ccccc1)CC2CCC2 6134efe8323b63c94e6390a2b684d420 [0,0,0,1,0,0|1,0,1]=3 342 B16R2.29082 OCN(Cc1cccnc1)CC2CCC2 786ffb2600f61fccea7063f71105f0b1 [0,0,0,1,0,0|2,0,1]=4 343 B16R2.51757 CCCN1CC(Cc2c1cccc2)CO d00c5441b00feefd2c37a18c0c710f20 [0,0,0,1,0,0|1,0,2]=4 344 B14R1.121 CCCCCN(C=O)c1ccccc1 336018f9a95895672148878a9c1abaf3 [0,0,0,0,1,0|1,0,2]=4 345 B14R1.121 CCCCCN(CC)c1cccnc1 c011a2e6d6ead61575220e556cde4d13 [0,0,0,0,1,0|3,0,0]=4 346 B14R1.121 CCCCCN(CC)c1ccncc1 776187eca27b6ac4a5255cb24823669d [0,0,0,0,1,0|3,0,0]=4 347 B14R1.121 CCCCNC(CC)c1ccccc1 d1d8d5d1f52fbfbc916d360cea34d9b4 [0,0,0,0,1,0|2,0,1]=4 348 B14R1.121 CCCCNC(CO)c1ccccc1 725e531bb973f859f88199c0f81c808b [0,0,0,0,1,0|1,0,1]=3 349 B14R1.121 CCCCNC(CO)c1ccccn1 bdc797ac2a73240b57d14aa91e038f38 [0,0,0,0,1,0|2,0,1]=4 350 B14R1.121 CCCCNC(CO)c1cccnc1 1a18a8df71d141917bae7eb3b98e6bf0 [0,0,0,0,1,0|2,0,1]=4 351 B14R1.121 CCCCNC(CO)c1ccncc1 01ef8b6730b00f7d049526199fdf2adb [0,0,0,0,1,0|2,0,1]=4 352 B14R1.121 CCCCN[C@@H](CC)c1ccccc1 5540c85f5a1e8a798487b8310da0c624 [0,0,0,0,1,0|2,0,1]=4 353 B14R1.121 CCCCN[C@@H](CF)c1ccccc1 56d618f0b1b775305c02332c0c02dd91 [0,0,0,0,1,0|2,0,1]=4 354 B14R1.121 CCCCN[C@@H](CO)c1ccccc1 a31c11ed938c8ebda2002ee3ce7267e6 [0,0,0,0,1,0|1,0,1]=3 355 B14R1.121 CCCCN[C@@H](CO)c1cccnc1 5244fe7b5ce5d0c4776e67b2b7243b79 [0,0,0,0,1,0|2,0,1]=4 356 B14R1.121 CCCCN[C@H](CC)c1ccccc1 79de95460937bf3fd51edad2c961d6d5 [0,0,0,0,1,0|2,0,1]=4 357 B14R1.121 CCCCN[C@H](CO)c1ccccc1 9281ec3b40ef852ea324c725abedd27a [0,0,0,0,1,0|1,0,1]=3 358 B14R1.121 CCCCN[C@H](CO)c1cccnc1 26002b7b01b07b5d1c0919a3a9165494 [0,0,0,0,1,0|2,0,1]=4 359 B14R1.121 CCCCN[C@H](CO)c1ccncc1 1c2a14a64365f6838fa63da6e980d2e0 [0,0,0,0,1,0|2,0,1]=4 360 B14R1.121 CCCCOC(CC)c1ccccc1 9779e66325fba2ef97e09cbb8c4a5d34 [0,0,0,0,1,0|2,0,1]=4 361 B14R1.121 CCCCOC(CF)c1ccccc1 144c012c7306c2d30b9a4d6729ba0e4e [0,0,0,0,1,0|2,0,1]=4 362 B14R1.121 CCCCO[C@@H](CC)c1ccccc1 1f7a1cd8fd6b667007ab9eb49d9e41fa [0,0,0,0,1,0|2,0,1]=4 363 B14R1.121 CCCCO[C@H](CC)c1ccccc1 8a9b5937b04d25745c53fbc04aa28e32 [0,0,0,0,1,0|2,0,1]=4 364 B14R1.121 CCCCO[C@H](CF)c1ccccc1 64fc849e3bc84983b165b0fc09e445b7 [0,0,0,0,1,0|2,0,1]=4 365 B14R1.121 CCCNCC(CO)c1ccccc1 5967760f9f46e666fad6ab217a02a0d9 [0,0,0,0,1,0|1,0,1]=3 366 B14R1.121 CCCOCC(CC)c1ccccc1 d6945fccb0e02fee9012bae0098a606b [0,0,0,0,1,0|2,0,1]=4 367 B14R1.121 CCN(CCCCO)c1ccccc1 17273f793ccf7f08f58ed54474f05c8d [0,0,0,0,1,0|3,0,0]=4 368 B14R1.121 CCN(CCCOC)c1ccccc1 0c9d3cd793bd7b7a74a0c8c0fbfcf14f [0,0,0,0,1,0|3,0,0]=4 369 B14R1.121 CCN(CCCSC)c1ccccc1 31e438439219816f8161fad831dde7a1 [0,0,0,0,1,0|3,0,0]=4 370 B14R1.121 CCOCCN(CC)c1ccccc1 51b735e9252f194f70cbd445c14ac62a [0,0,0,0,1,0|3,0,0]=4 371 B14R1.121 CCOCNC(CO)c1ccccc1 10bd368e6c0d6df02f06121a1bf7a9e3 [0,0,0,0,1,0|2,0,1]=4 372 B14R1.121 CCOCN[C@@H](CO)c1ccccc1 4ea72a7240c830ee4de8f311e93f6261 [0,0,0,0,1,0|2,0,1]=4 373 B14R1.121 CCOCN[C@H](CO)c1ccccc1 849714729bf880ff7b3ffad0c671e336 [0,0,0,0,1,0|2,0,1]=4 374 B14R1.121 COCCNC(CO)c1ccccc1 102d3b09eed29e0c0d499b21d8d84546 [0,0,0,0,1,0|2,0,1]=4 375 B14R1.121 COCCN[C@@H](CO)c1ccccc1 28fff56a60d38dd48d8ddd66a0b08105 [0,0,0,0,1,0|2,0,1]=4 376 B14R1.121 COCCN[C@H](CO)c1ccccc1 ff3152354edc2275324b4b0e81cfbc49 [0,0,0,0,1,0|2,0,1]=4 377 B14R1.121 COCNCC(CO)c1ccccc1 8740f0f9d7a00fbec244a248a8353888 [0,0,0,0,1,0|2,0,1]=4 378 B14R1.121 CSCCNC(CO)c1ccccc1 05d37e31b0b349b31a89384b3753ce20 [0,0,0,0,1,0|2,0,1]=4 379 B14R1.121 CSCCN[C@@H](CO)c1ccccc1 6e0d70579f99b375527e042ad1865d05 [0,0,0,0,1,0|2,0,1]=4 380 B14R1.121 CSCCN[C@H](CO)c1ccccc1 52a25b084764312cbab1f65180616d76 [0,0,0,0,1,0|2,0,1]=4 381 B14R1.121 CSCNCC(CO)c1ccccc1 59c411bde284a14e788ce7789ae74ed0 [0,0,0,0,1,0|2,0,1]=4 382 B14R1.121 OCC(CNCCF)c1ccccc1 f77d1a43546066bf310b11b8c35d08ec [0,0,0,0,1,0|2,0,1]=4 383 B14R1.121 OCC(CNCCS)c1ccccc1 f1b812a3e83ea30408cf84713e9d6256 [0,0,0,0,1,0|2,0,1]=4 384 B14R1.121 OCC(NCCCF)c1ccccc1 25cea0120390f362c435cb87ee37bd5a [0,0,0,0,1,0|2,0,1]=4 385 B14R1.121 OCC(NCCCS)c1ccccc1 12a84ce88fc2ff3ff483e36f79b24e5f [0,0,0,0,1,0|2,0,1]=4 386 B14R1.121 OCCCNC(CO)c1ccccc1 8135fa10f28a33c9281a25f6f0e05a42 [0,0,0,0,1,0|2,0,1]=4 387 B14R1.121 OCCCN[C@@H](CO)c1ccccc1 d62abf0bd233c1e36a3ccf1adfafc80f [0,0,0,0,1,0|2,0,1]=4 388 B14R1.121 OCCCN[C@H](CO)c1ccccc1 21b65c618524ef4810e13cad87d40150 [0,0,0,0,1,0|2,0,1]=4 389 B14R1.121 OCCNCC(CO)c1ccccc1 76b59fc0480ff6710432e948905c49e6 [0,0,0,0,1,0|2,0,1]=4 390 B14R1.121 OC[C@@H](NCCCF)c1ccccc1 913af223ced03ce422350961ffdcf7a4 [0,0,0,0,1,0|2,0,1]=4 391 B14R1.121 OC[C@@H](NCCCS)c1ccccc1 705755dab31467aee36765438fe6aa97 [0,0,0,0,1,0|2,0,1]=4 392 B14R1.121 OC[C@H](NCCCF)c1ccccc1 97fce97147303c5d6f0b8b0ebdc04f71 [0,0,0,0,1,0|2,0,1]=4 393 B14R1.121 OC[C@H](NCCCS)c1ccccc1 da05e19b5c3399c0c52cb959994efc45 [0,0,0,0,1,0|2,0,1]=4 394 B16R1.1758 CCCCCC(CC)OCc1ccccc1 e9825a6ee0226669802f5cce77d1fcb9 [0,0,0,0,0,1|1,0,2]=4 395 B16R1.1758 CCCCC[C@H](CC)OCc1ccccc1 120ad8e9d665ade371155ccd8c0dd397 [0,0,0,0,0,1|1,0,2]=4 396 B16R1.1758 CCCCNC(CO)CCc1ccccc1 60850893570a460ddbf7e20d9f75e3f2 [0,0,0,0,0,1|1,0,2]=4 397 B16R1.1758 CCCCN[C@@H](CO)CCc1ccccc1 ee8aee1707065246c3ca824185fe4fa5 [0,0,0,0,0,1|1,0,2]=4 398 B16R1.1758 CCCCN[C@H](CO)CCc1ccccc1 ca9f6d3736800ffd0aa8ef9950f1c97c [0,0,0,0,0,1|1,0,2]=4 399 B13R1.28 CCCCCCNc1ccccc1 048baa466684ceb36ce0ec04def923a7 [2,0,0,0,0,0|1,0,1]=4 400 B13R1.28 CCCCCNCc1ccccc1 ceac33fb77d66ab1855d13c360a20a4d [2,0,0,0,0,0|1,0,1]=4 401 B13R1.28 CCCCCOCc1ccccc1 7cca4ff4b2d15a92f4795dbfa1992899 [2,0,0,0,0,0|1,0,1]=4 402 B13R1.28 CCCNC/C=C/c1ccccc1 0f131056fcef7b81d083ae6154c2f752 [2,0,0,0,0,0|1,0,0]=3 403 B13R1.28 CCCOC/C=C/c1ccccc1 28247541af14b4d0978af4a7a31a6e56 [2,0,0,0,0,0|1,0,0]=3 404 B13R1.28 CCCOC/C=C/c1ccccn1 7b15c6e010866fa64aeb12a5c6d7dc62 [2,0,0,0,0,0|2,0,0]=4 405 B13R1.28 CCCOC/C=C/c1cccnc1 729d4195cb0560d85c89c91e8ba40f51 [2,0,0,0,0,0|2,0,0]=4 406 B13R1.28 CCCOC/C=C/c1ccncc1 c3d517eab1af5b9e91389b695aa96225 [2,0,0,0,0,0|2,0,0]=4 407 B13R1.28 CCCOC/C=C\c1ccccc1 e2915b273a825531ccbc15ca740665c7 [2,0,0,0,0,0|1,0,0]=3 408 B13R1.28 CCCOC/C=C\c1ccncc1 ce2df4b435975f85344e7907f5dc2596 [2,0,0,0,0,0|2,0,0]=4 409 B13R1.28 CCCOCC=Cc1ccccc1 7e801731f67fe56756a9b0772d9097db [2,0,0,0,0,0|1,0,0]=3 410 B13R1.28 CCCOCC=Cc1ccncc1 02d8691f7153747f4f3e3ec79b1507eb [2,0,0,0,0,0|2,0,0]=4 411 B13R1.28 CCNCC/C=C/c1ccccc1 e2a23c0864e33e9b2de6354a72cb9762 [2,0,0,0,0,0|1,0,0]=3 412 B13R1.28 COCNC/C=C/c1ccccc1 e82a95b1970cd2034791514e365bcd77 [2,0,0,0,0,0|2,0,0]=4 413 B13R1.28 COCOC/C=C/c1ccccc1 ce1cac47d508732bcbb5558bb1a22908 [2,0,0,0,0,0|2,0,0]=4 414 B13R1.28 COCOC/C=C\c1ccccc1 c8ed20bd4f9dba406ffec58f68bd2e69 [2,0,0,0,0,0|2,0,0]=4 415 B13R1.28 COCOCC=Cc1ccccc1 1a64b85e206e7341f9c00edb3e9cac31 [2,0,0,0,0,0|2,0,0]=4 416 B13R1.28 CSCNC/C=C/c1ccccc1 e100a69fd419c3c1b3f7de1817e9ab43 [2,0,0,0,0,0|2,0,0]=4 417 B13R1.28 CSCOC/C=C/c1ccccc1 d6a1dfd59397fba378f985c5b99a4631 [2,0,0,0,0,0|2,0,0]=4 418 B13R1.28 CSCOC/C=C\c1ccccc1 a723b6adc56c793739b73f310908e35a [2,0,0,0,0,0|2,0,0]=4 419 B13R1.28 CSCOCC=Cc1ccccc1 b155ca7ef10544de485d84e051bc448b [2,0,0,0,0,0|2,0,0]=4 420 B13R1.28 FCCNC/C=C/c1ccccc1 17010ca9d70267dd2e8e7985bc4d24dd [2,0,0,0,0,0|2,0,0]=4 421 B13R1.28 FCCNCC=Cc1ccccc1 9175561b26ed2d6a48314ddc2785ce0f [2,0,0,0,0,0|2,0,0]=4 422 B13R1.28 FCCOC/C=C/c1ccccc1 a7141af60b02031bf0032ac2d2e2a139 [2,0,0,0,0,0|2,0,0]=4 423 B13R1.28 FCCOC/C=C\c1ccccc1 d9bf9973264e4e0952ffd7af724cc691 [2,0,0,0,0,0|2,0,0]=4 424 B13R1.28 FCCOCC=Cc1ccccc1 efce9b614fef2832acb27ccc9e4482b5 [2,0,0,0,0,0|2,0,0]=4 425 B13R1.28 FCNCC/C=C/c1ccccc1 72d71811a4a48482114c2152a3f4b228 [2,0,0,0,0,0|2,0,0]=4 426 B13R1.28 ICCNC/C=C/c1ccccc1 4fff3ff9d6e1d1998d20d5a384d8f46c [2,0,0,0,0,0|2,0,0]=4 427 B13R1.28 ICCNCC=Cc1ccccc1 b0d1f26d457dd52d1a25e2adcd6adbba [2,0,0,0,0,0|2,0,0]=4 428 B13R1.28 OCCNC/C=C/c1ccccc1 63187877e6903b8ce4e7ad829d31120a [2,0,0,0,0,0|2,0,0]=4 429 B13R1.28 OCCNCC=Cc1ccccc1 6dde508ca220ee78f6f2f54a9643d7c3 [2,0,0,0,0,0|2,0,0]=4 430 B13R1.28 OCNCC/C=C/c1ccccc1 69f6b356198d84afd578c363255fe0b5 [2,0,0,0,0,0|2,0,0]=4 431 B13R1.28 SCCNC/C=C/c1ccccc1 c8c14cd83894629d818c8aef0d737ccd [2,0,0,0,0,0|2,0,0]=4 432 B13R1.28 SCCOC/C=C/c1ccccc1 763bd66462a22ede2df6845c2a6413de [2,0,0,0,0,0|2,0,0]=4 433 B13R1.28 SCCOC/C=C\c1ccccc1 89be4a0e89166358189e989b2e3e6051 [2,0,0,0,0,0|2,0,0]=4 434 B13R1.28 SCCOCC=Cc1ccccc1 32f6055f493fadcd52496f75ae05fe6e [2,0,0,0,0,0|2,0,0]=4 435 B13R1.44 C/C(=C\c1ccccc1)/COCF b2a147eece6cee17f7bbfdd4daa827a3 [2,0,0,0,0,0|2,0,0]=4 436 B13R1.44 CCCCC(=O)Nc1ccccc1 23ed3b5fa4d849246c442d63dab5c35b [2,0,0,0,0,0|1,0,1]=4 437 B13R1.44 CCCCC(C)Nc1ccccc1 33a32ffda6f8f10c0a3dafe37790b50b [2,0,0,0,0,0|1,0,1]=4 438 B13R1.44 CCCCN(C)Cc1ccccc1 a14836a42f96f1b5adf55efbbee812c9 [2,0,0,0,0,0|1,0,1]=4 439 B13R1.44 CCCC[C@@H](C)Nc1ccccc1 a81b81af0c0ad2ccc8b90d851da74931 [2,0,0,0,0,0|1,0,1]=4 440 B13R1.44 CCOC/C(=C/c1ccccc1)/C 0d32af478597c9f750f1b80330105573 [2,0,0,0,0,0|1,0,0]=3 441 B13R1.79 CCCC(CO)Nc1ccccc1 3c8acc478494a93b6f0d5ff0c66368a4 [2,0,0,0,0,0|1,0,1]=4 442 B13R1.79 CCCN(CO)Cc1ccccc1 6c918f661462d63cbb620db917ad3142 [2,0,0,0,0,0|1,0,1]=4 443 B13R1.79 CCC[C@@H](CO)Nc1ccccc1 0c292edf766ebd044cede4f74c152fb7 [2,0,0,0,0,0|1,0,1]=4 444 B13R1.79 CCC[C@H](CO)Nc1ccccc1 661dc1752dc337e51afb839827a3b3b5 [2,0,0,0,0,0|1,0,1]=4 445 B15R1.83 C#CCCOC/C(=C/c1ccccc1)/C be5d2422e8be01ee3fc3cba3abc30cb6 [1,1,0,0,0,0|0,0,2]=4 446 B15R1.83 C/C(=C\c1ccccc1)/COCCC#N 4893874c325281e60228d85c0d7a2218 [1,1,0,0,0,0|1,0,1]=4 447 B15R1.83 C/C(=C\c1ccccc1)/COCCC=O 2f1c5652caec45ca3e0075286f5e7346 [1,1,0,0,0,0|1,0,1]=4 448 B15R1.83 C/C(=C\c1ccccc1)/COCCCF a5786d5564d784df588e5e1d48b996d5 [1,1,0,0,0,0|1,0,0]=3 449 B15R1.83 C/C(=C\c1ccccc1)/COCCCS f15c1e1c31cca39d71f81d88b65cf442 [1,1,0,0,0,0|1,0,0]=3 450 B15R1.83 C/C=C/COC/C(=C/c1ccccc1)/C ebea57468489f1410986f30ac4712cc2 [1,1,0,0,0,0|0,0,2]=4 451 B15R1.83 C/C=C\COC/C(=C/c1ccccc1)/C be6cc19e0078e5d166b0302d98a15943 [1,1,0,0,0,0|0,0,2]=4 452 B15R1.83 C=CCCOC/C(=C/c1ccccc1)/C 8f94055d5d6fd469f5d6839caa59d007 [1,1,0,0,0,0|0,0,2]=4 453 B15R1.83 CCCCCCC(=O)Nc1ccccc1 297f2f73893c257e64b6989b1bf54f57 [1,1,0,0,0,0|1,0,1]=4 454 B15R1.83 CCCCCCC(C)Nc1ccccc1 c0c3ffc52fa5ffe068cbd96c72210086 [1,1,0,0,0,0|1,0,1]=4 455 B15R1.83 CCCCCCN(C)Cc1ccccc1 e069d188d7b09c258bf2e85af2ca03fb [1,1,0,0,0,0|1,0,1]=4 456 B15R1.83 CCCCCC[C@@H](C)Nc1ccccc1 2f81a37c0f7c86345b6cc24f65c4558a [1,1,0,0,0,0|1,0,1]=4 457 B15R1.83 CCCCCC[C@H](C)Nc1ccccc1 6152cce6200419557dcc9f52a57215a6 [1,1,0,0,0,0|1,0,1]=4 458 B15R1.83 CCCCCNC(=S)Nc1ccccc1 651519959edc0a0bbe83c753a071500f [1,1,0,0,0,0|1,1,0]=4 459 B15R1.83 CCCCCOC(C)Cc1ccccc1 1be6bfdc9aa01bd3e504e09614edff58 [1,1,0,0,0,0|0,0,2]=4 460 B15R1.83 CCCCCO[C@@H](C)Cc1ccccc1 9f8f7dcd02d9952646b5dceea100c109 [1,1,0,0,0,0|0,0,2]=4 461 B15R1.83 CCCCCO[C@H](C)Cc1ccccc1 66f936c7109c49640d6bf88bb04065a6 [1,1,0,0,0,0|0,0,2]=4 462 B15R1.83 CCCCNCC(=O)Cc1ccccc1 6c082f7b84b17866c898e4c2b5196699 [1,1,0,0,0,0|0,0,2]=4 463 B15R1.83 CCCCNCC(=O)Nc1ccccc1 df55f90e6b025f572671b62e4e1940f9 [1,1,0,0,0,0|1,0,1]=4 464 B15R1.83 CCCCNCC(=O)Oc1ccccc1 1b9d5d0c1a18450c7cac8cf2dc4ee52f [1,1,0,0,0,0|1,0,1]=4 465 B15R1.83 CCCCNCC(C)Oc1ccccc1 6ee1ae3cf80f520e02ae23bc424971f6 [1,1,0,0,0,0|1,0,1]=4 466 B15R1.83 CCCCNCC(O)Cc1ccccc1 92c217e65eda5ae09f1a3b23fe472ea4 [1,1,0,0,0,0|0,0,2]=4 467 B15R1.83 CCCCOC/C(=C/c1ccccc1)/C 59af07652eb2c576401ef29486559b25 [1,1,0,0,0,0|0,0,0]=2 468 B15R1.83 CCCCOCC(=O)Cc1ccccc1 b505c8385eeb8b44f28aab786c20e7bc [1,1,0,0,0,0|0,0,2]=4 469 B15R1.83 CCCCOCC(=O)Nc1ccccc1 32cb8dabf3184c888f09d6b12a53d06a [1,1,0,0,0,0|1,0,1]=4 470 B15R1.83 CCCCOCC(=O)Oc1ccccc1 66dcb6ca22114ebae9746ba0a6fb5f0f [1,1,0,0,0,0|1,0,1]=4 471 B15R1.83 CCCCOCC(C)Cc1ccccc1 85b162017488fb096fea337ff1613bea [1,1,0,0,0,0|0,0,2]=4 472 B15R1.83 CCCCOCC(C)Oc1ccccc1 1495e60e4ad0cfb5d44fab2225afa5d2 [1,1,0,0,0,0|1,0,1]=4 473 B15R1.83 CCCCOCN(C)Cc1ccccc1 93f1cc71825af43ec671e87e62a67c71 [1,1,0,0,0,0|1,0,1]=4 474 B15R1.83 CCCCOC[C@H](C)Oc1ccccc1 0e34e0a337b007aee56d653ca5d12201 [1,1,0,0,0,0|1,0,1]=4 475 B15R1.83 CCCNCCC(=O)Nc1ccccc1 23b1ce4cf94af4c34148d87ec86862c4 [1,1,0,0,0,0|1,0,1]=4 476 B15R1.83 CCCNCCN(C)Cc1ccccc1 2d4f377b0df9fbd3a9729904e02143b0 [1,1,0,0,0,0|1,0,1]=4 477 B15R1.83 CCCOCCN(C)Cc1ccccc1 7d8036c3c6b083b1d65c8373f9f0a88b [1,1,0,0,0,0|1,0,1]=4 478 B15R1.83 CCNCCCC(=O)Nc1ccccc1 615b06d6a0eaf76f54ff5c6ddd5fd973 [1,1,0,0,0,0|1,0,1]=4 479 B15R1.83 CCNCCCN(C)Cc1ccccc1 35f60cc8463dbfd51a808c027fd24f3a [1,1,0,0,0,0|1,0,1]=4 480 B15R1.83 CCOCCCN(C)Cc1ccccc1 22efe3208df38724300648b0680686fc [1,1,0,0,0,0|1,0,1]=4 481 B15R1.83 CCOCOC/C(=C/c1ccccc1)/C 912f15adbe8133e29f3414c9848582f5 [1,1,0,0,0,0|1,0,0]=3 482 B15R1.83 CCSCCCN(C)Cc1ccccc1 0ad3d5cd33923091b9d81080928e19df [1,1,0,0,0,0|1,0,1]=4 483 B15R1.83 CN(CCCCCF)Cc1ccccc1 a48a2b5c22ef80cc55ee96aecdfee760 [1,1,0,0,0,0|1,0,1]=4 484 B15R1.83 CN(CCCCCO)Cc1ccccc1 ad5f0ba36aa6bc155f11c077dd4eb7dd [1,1,0,0,0,0|1,0,1]=4 485 B15R1.83 COCCCCN(C)Cc1ccccc1 e74b92829a614c84e994709c7a50d6b5 [1,1,0,0,0,0|1,0,1]=4 486 B15R1.83 COCCOC/C(=C/c1ccccc1)/C ae0279f66e16a3920bd0c399911e782e [1,1,0,0,0,0|1,0,0]=3 487 B15R1.83 CSCCOC/C(=C/c1ccccc1)/C 65d264c5c6caf2a4d837513c99c48707 [1,1,0,0,0,0|1,0,0]=3 488 B15R1.83 O=C(CCCCCF)Nc1ccccc1 28ba5580dbd462fd25e07a79eb876d61 [1,1,0,0,0,0|1,0,1]=4 489 B15R1.83 O=C(CCCCCO)Nc1ccccc1 50504c3ad78f611da0869a17baefe790 [1,1,0,0,0,0|1,0,1]=4 490 B15R1.83 O=C(CCCCCS)Nc1ccccc1 0dc947b486a330018c1fb7a86a98acbb [1,1,0,0,0,0|1,0,1]=4 491 B15R1.93 C=C(C(=O)NCCCC)c1ccccc1 00a1be2bfa779a7a43bf31043ebfa302 [1,1,0,0,0,0|1,0,1]=4 492 B15R1.93 CCCCCN(C)C(=O)c1ccccc1 c6ffe640984401bdec67141629bf3c63 [1,1,0,0,0,0|1,0,0]=3 493 B15R1.93 CCCCCN(C)C(=O)c1ccccn1 58a096aa106abd53b7b4579c11d0504d [1,1,0,0,0,0|2,0,0]=4 494 B15R1.93 CCCCCN(C)C(=O)c1cccnc1 db80f5efe14e2e41b7e6f5fe73b02521 [1,1,0,0,0,0|2,0,0]=4 495 B15R1.93 CCCCCN(C)C(=O)c1ccncc1 43f7b6690e21366ff108b7516a7449e0 [1,1,0,0,0,0|2,0,0]=4 496 B15R1.93 CCCCNC(=O)C(=O)c1ccccc1 e5f1a260c934b126c5be96cf3d6e0c93 [1,1,0,0,0,0|1,0,1]=4 497 B15R1.93 CCOCCN(C)C(=O)c1ccccc1 db52527326bf984cd29e9654596db7c3 [1,1,0,0,0,0|2,0,0]=4 498 B15R1.93 CN(CCCCO)C(=O)c1ccccc1 c5a145d88b0173e95c4748f363966a28 [1,1,0,0,0,0|2,0,0]=4 499 B15R1.93 COCCCN(C)C(=O)c1ccccc1 c507e36389191361c69f9badfd1d03a4 [1,1,0,0,0,0|2,0,0]=4 500 B15R1.128 CCCCCC(=O)Nc1ccc(cc1)C d7b9d4be45a3b622ab7a466244720987 [1,1,0,0,0,0|1,0,1]=4 501 B15R1.128 CCCCCC(=O)Nc1ccc(cc1)F 38b75e07c2cc32bd0c9128a7ea7325c2 [1,1,0,0,0,0|1,0,1]=4 502 B15R1.128 CCCCCC(=O)Nc1ccc(cc1)I 9c89996b2297785c2cefaf58d0a7315f [1,1,0,0,0,0|1,0,1]=4 503 B15R1.128 CCCCCC(=O)Nc1ccc(cc1)O b63f8179dbf20377979f83d7f7787c69 [1,1,0,0,0,0|1,0,1]=4 504 B15R1.128 CCCCCC(=O)Nc1ccc(cc1)S 7340cbd5844c747ba8ffac44091992fb [1,1,0,0,0,0|1,0,1]=4 505 B15R1.128 CCCCCC(C)Nc1ccc(cc1)S e44afe311af09c68a9772ecc764a3f7b [1,1,0,0,0,0|1,0,1]=4 506 B15R1.128 CCCCCC(C)Oc1ccc(cc1)C cf375f787e6ddacb341e28852c8dbe33 [1,1,0,0,0,0|1,0,1]=4 507 B15R1.128 CCCCCC(C)Oc1ccc(cc1)F 2aef51969ae106bd099f4ffae58a9381 [1,1,0,0,0,0|1,0,1]=4 508 B15R1.128 CCCCCC(C)Oc1ccc(cc1)I b0586e7426a74567c51eabe12f3971d9 [1,1,0,0,0,0|1,0,1]=4 509 B15R1.128 CCCCCC(C)Oc1ccc(cc1)S 533fc978e4e251bba670a58581cd21ac [1,1,0,0,0,0|1,0,1]=4 510 B15R1.128 CCCCCN(C)Cc1ccc(cc1)Br 8f5a10ad3bb5bc0a8c63967c0878becb [1,1,0,0,0,0|1,0,1]=4 511 B15R1.128 CCCCCN(C)Cc1ccc(cc1)C c73f93a964cb17211b7e2c9c8c622f9c [1,1,0,0,0,0|1,0,1]=4 512 B15R1.128 CCCCCN(C)Cc1ccc(cc1)Cl 37b3c3217e0a631efabfbd8cebf27a8f [1,1,0,0,0,0|1,0,1]=4 513 B15R1.128 CCCCCN(C)Cc1ccc(cc1)F 981040034786769f54c84561c7720181 [1,1,0,0,0,0|1,0,1]=4 514 B15R1.128 CCCCCN(C)Cc1ccc(cc1)I 8e14dcf43ba3c616ae11d8f1ee23c49f [1,1,0,0,0,0|1,0,1]=4 515 B15R1.128 CCCCC[C@H](C)Nc1ccc(cc1)Br 488b0eb099d8310cf11b28e5d5e6b11f [1,1,0,0,0,0|1,0,1]=4 516 B15R1.128 CCCCC[C@H](C)Nc1ccc(cc1)C 768281137642dc6937ae47fd40290271 [1,1,0,0,0,0|1,0,1]=4 517 B15R1.128 CCCCC[C@H](C)Nc1ccc(cc1)Cl 5a80a5b54cfe95bc8243bd42da1ab349 [1,1,0,0,0,0|1,0,1]=4 518 B15R1.128 CCCCC[C@H](C)Nc1ccc(cc1)F 39ab462d92f9c74f92f7a88a1fe3ba5a [1,1,0,0,0,0|1,0,1]=4 519 B15R1.128 CCCCC[C@H](C)Nc1ccc(cc1)I d86a3c7e06c9ae6c188e8a67cb80425c [1,1,0,0,0,0|1,0,1]=4 520 B15R1.128 CCCCC[C@H](C)Nc1ccc(cc1)S 8094381485da69b02417769443ad2cc8 [1,1,0,0,0,0|1,0,1]=4 521 B15R1.128 CCCCC[C@H](C)Oc1ccc(cc1)Br d6e55e3da0c868fbc36eb5a22cef3bbd [1,1,0,0,0,0|1,0,1]=4 522 B15R1.128 CCCCC[C@H](C)Oc1ccc(cc1)C 15f42aef2ee2461ca3ccda3454843a62 [1,1,0,0,0,0|1,0,1]=4 523 B15R1.128 CCCCC[C@H](C)Oc1ccc(cc1)Cl cc0233328cd3677f16178c1d9b11776b [1,1,0,0,0,0|1,0,1]=4 524 B15R1.128 CCCCC[C@H](C)Oc1ccc(cc1)F 9b66f558d1a678950f3e8355d3af5d75 [1,1,0,0,0,0|1,0,1]=4 525 B15R1.128 CCCCC[C@H](C)Oc1ccc(cc1)I 0922a5f28d4a5d81baf20c543508d98e [1,1,0,0,0,0|1,0,1]=4 526 B15R1.128 CCCCC[C@H](C)Oc1ccc(cc1)S 3bea5e90c5c3a26bc71b29d5a38e546f [1,1,0,0,0,0|1,0,1]=4 527 B15R1.129 CCCCCC(=O)Nc1cccc(c1)C 99d0a9b4324f143e86ae17727ce4fb6b [1,1,0,0,0,0|1,0,1]=4 528 B15R1.129 CCCCCC(=O)Nc1cccc(c1)F 833b5d4555c4fa42ad5c21db9b85727c [1,1,0,0,0,0|1,0,1]=4 529 B15R1.129 CCCCCC(=O)Nc1cccc(c1)I 0d35400f94049402476a29da1f3e5966 [1,1,0,0,0,0|1,0,1]=4 530 B15R1.129 CCCCCC(=O)Nc1cccc(c1)O 8fd157cf0be046ff3db3f0d03f979ad3 [1,1,0,0,0,0|1,0,1]=4 531 B15R1.129 CCCCCC(C)Nc1cccc(c1)C 031222d056fca4ab8d940a972378580d [1,1,0,0,0,0|1,0,1]=4 532 B15R1.129 CCCCCC(C)Nc1cccc(c1)Cl 577208ab8390f9780a1d52e4eaf7eff3 [1,1,0,0,0,0|1,0,1]=4 533 B15R1.129 CCCCCC(C)Nc1cccc(c1)F b433525477fc9c6772bb43f8d7551316 [1,1,0,0,0,0|1,0,1]=4 534 B15R1.129 CCCCCC(C)Nc1cccc(c1)I 56c387fd08d79db6cba78715601103d0 [1,1,0,0,0,0|1,0,1]=4 535 B15R1.129 CCCCCC(C)Oc1cccc(c1)Br 40a2940a345011119f8a34c15c8fe324 [1,1,0,0,0,0|1,0,1]=4 536 B15R1.129 CCCCCC(C)Oc1cccc(c1)C 661d579cc78dd5be8f60696100a89310 [1,1,0,0,0,0|1,0,1]=4 537 B15R1.129 CCCCCC(C)Oc1cccc(c1)Cl ec74c2f74d4ab69637da31b84e9623b0 [1,1,0,0,0,0|1,0,1]=4 538 B15R1.129 CCCCCC(C)Oc1cccc(c1)F cb9fec30b8c265a8f6ccaf718075047f [1,1,0,0,0,0|1,0,1]=4 539 B15R1.129 CCCCCC(C)Oc1cccc(c1)I 442c793700b1b09d45b810fab698acdf [1,1,0,0,0,0|1,0,1]=4 540 B15R1.129 CCCCCC(C)Oc1cccc(c1)S 17cc09625865b18a238428be919e63a2 [1,1,0,0,0,0|1,0,1]=4 541 B15R1.129 CCCCCN(C)Cc1cccc(c1)Br 60f626cfc683af3fa2937b26af424add [1,1,0,0,0,0|1,0,1]=4 542 B15R1.129 CCCCCN(C)Cc1cccc(c1)C 7870722f2d621242d54e035c50b85e95 [1,1,0,0,0,0|1,0,1]=4 543 B15R1.129 CCCCCN(C)Cc1cccc(c1)Cl b9aeb64271c8fc7cb1a67e1ccb8d22db [1,1,0,0,0,0|1,0,1]=4 544 B15R1.129 CCCCCN(C)Cc1cccc(c1)F a7a926acd8f6126c02b743b1ccdfbb98 [1,1,0,0,0,0|1,0,1]=4 545 B15R1.129 CCCCCN(C)Cc1cccc(c1)I 732ceddb0dbcba39866bc5148a02d521 [1,1,0,0,0,0|1,0,1]=4 546 B15R1.129 CCCCC[C@H](C)Nc1cccc(c1)Br 90fffad63cd338b53f89d6a52aa2d36c [1,1,0,0,0,0|1,0,1]=4 547 B15R1.129 CCCCC[C@H](C)Nc1cccc(c1)C d86c40a32b738c0fc7c0c55a77c6a18a [1,1,0,0,0,0|1,0,1]=4 548 B15R1.129 CCCCC[C@H](C)Nc1cccc(c1)Cl 9be645dc4452800d23b75333ec32a3bb [1,1,0,0,0,0|1,0,1]=4 549 B15R1.129 CCCCC[C@H](C)Nc1cccc(c1)F 12f091467d612eb64372471c4fe5e8e3 [1,1,0,0,0,0|1,0,1]=4 550 B15R1.129 CCCCC[C@H](C)Nc1cccc(c1)I 4d9c1c3edbfcf07159cc9c3be2375c84 [1,1,0,0,0,0|1,0,1]=4 551 B15R1.129 CCCCC[C@H](C)Oc1cccc(c1)Br 2c97a9601e98d1eef9698df02973fe36 [1,1,0,0,0,0|1,0,1]=4 552 B15R1.129 CCCCC[C@H](C)Oc1cccc(c1)C 3c4638d694da741f96e4ff1dac808b4d [1,1,0,0,0,0|1,0,1]=4 553 B15R1.129 CCCCC[C@H](C)Oc1cccc(c1)Cl 41d752c0bc18d18bc3b08bacbf4bc2b5 [1,1,0,0,0,0|1,0,1]=4 554 B15R1.129 CCCCC[C@H](C)Oc1cccc(c1)F 511c3ea1cc1ce5889f038fc7fe24789f [1,1,0,0,0,0|1,0,1]=4 555 B15R1.129 CCCCC[C@H](C)Oc1cccc(c1)I b0cd29c52b04c3aa2e294e0c4478233e [1,1,0,0,0,0|1,0,1]=4 556 B15R1.129 CCCCC[C@H](C)Oc1cccc(c1)S 752af41eb79099082a150589426be32e [1,1,0,0,0,0|1,0,1]=4 557 B15R1.551 CCCCC(C)N(C)Cc1ccccc1 a2b60667d87b67d81d7f17241c4a5fbb [1,1,0,0,0,0|1,0,1]=4 558 B15R1.551 CCCNC(=O)/C(=C/c1ccccc1)/C e958c0c5e1a04372625d9577d910394e [1,1,0,0,0,0|1,0,1]=4 559 B15R1.551 CCCNC(=O)C(=Cc1ccccc1)O 9c1eb505729edde6d8aa80ea317125d4 [1,1,0,0,0,0|1,0,1]=4 560 B15R1.809 CCCC(C)CN(C)Cc1ccccc1 1bd3740f6fa251ab978e9719d7090800 [1,1,0,0,0,0|1,0,1]=4 561 B15R1.964 CCC(C)CCN(C)Cc1ccccc1 cd3cac84ff36b79edc2edb70648ea8af [1,1,0,0,0,0|1,0,1]=4 562 B15R1.964 CCC(C)OC/C(=C/c1ccccc1)/C 2f8c4509133a89bfb647309551a9f573 [1,1,0,0,0,0|1,0,0]=3 563 B15R1.1081 C/C(=C\c1ccccc1)/COCC(C)C 4307d96a38df19e7b2e0921c0df32eb8 [1,1,0,0,0,0|1,0,0]=3 564 B15R1.1081 C/C(=C\c1ccccc1)/COCC(F)F 6873db9a9c745cb2f21e79bae9962906 [1,1,0,0,0,0|2,0,0]=4 565 B15R1.1081 C/C(=C\c1ccccc1)/COCN(C)C c1d4fd2c00b16c4f15736b6037aee6cc [1,1,0,0,0,0|2,0,0]=4 566 B15R1.1081 C=C(C)COC/C(=C/c1ccccc1)/C 68bd6890a72188ac194d74f34533e281 [1,1,0,0,0,0|1,0,1]=4 567 B15R1.1081 CC(C)CCCC(=O)Nc1ccccc1 3515bce167ed12afcc5febbd2e44f6f5 [1,1,0,0,0,0|1,0,1]=4 568 B15R1.1081 CC(C)CCCC(C)Nc1ccccc1 a65843ffe22ccdd53529307ee8ef5f77 [1,1,0,0,0,0|1,0,1]=4 569 B15R1.1081 CC(C)CCCN(C)Cc1ccccc1 f47465ce6f9f37442b3cbbe7788fc54a [1,1,0,0,0,0|1,0,1]=4 570 B15R1.1081 CC(O)CCCN(C)Cc1ccccc1 47e911f543cc2897a09b4e6d64b9b769 [1,1,0,0,0,0|1,0,1]=4 571 B15R1.1409 CCCCCC(=O)Nc1ccccc1Br 4dbef6d274dc6c06b3ca820971164950 [1,1,0,0,0,0|1,0,1]=4 572 B15R1.1409 CCCCCC(=O)Nc1ccccc1C a56c9e73b05562522c13f4789c30fff9 [1,1,0,0,0,0|1,0,1]=4 573 B15R1.1409 CCCCCC(=O)Nc1ccccc1Cl d6a2cabaceeafbfb29852eb1d2b381f8 [1,1,0,0,0,0|1,0,1]=4 574 B15R1.1409 CCCCCC(=O)Nc1ccccc1F 6037b90831162c8d402f757958baf198 [1,1,0,0,0,0|1,0,1]=4 575 B15R1.1409 CCCCCC(=O)Nc1ccccc1I bc65531a1b6f290ffdfab6bc1d1318bf [1,1,0,0,0,0|1,0,1]=4 576 B15R1.1409 CCCCCC(=O)Nc1ccccc1O 4dfa59dd10f9d9c0e19b484e52bae5b9 [1,1,0,0,0,0|1,0,1]=4 577 B15R1.1409 CCCCCC(=O)Nc1ccccc1S c8a4d17ce7bbe85b0a8c1938c8257cc6 [1,1,0,0,0,0|1,0,1]=4 578 B15R1.1409 CCCCCC(C)Oc1ccccc1Cl 12e7c06004a120e89fb64fcc9b7c79ee [1,1,0,0,0,0|1,0,1]=4 579 B15R1.1409 CCCCCN(C)Cc1ccccc1Cl 4ff590cc75664fd6f5ea5adb00e1c5d7 [1,1,0,0,0,0|1,0,1]=4 580 B15R1.1409 CCCCCN(C)Cc1ccccc1F 3fc676e33f796a6083e59cdb3d8d7cd7 [1,1,0,0,0,0|1,0,1]=4 581 B15R1.1409 CCCCCN(C)Cc1ccccc1I 77ba5f105f6369747a8fcdf7b74429f6 [1,1,0,0,0,0|1,0,1]=4 582 B15R1.1409 CCCCC[C@H](C)Oc1ccccc1Cl 058233b36f8c64d7b599ed7312b2db72 [1,1,0,0,0,0|1,0,1]=4 583 B15R1.564 CCCCC(CO)Nc1ccc(cc1)Br 838ada25d4c3498470d92f4d29c027f8 [1,1,0,0,0,0|1,0,1]=4 584 B15R1.564 CCCCC(CO)Nc1ccc(cc1)C 01beff63e9cb3d86380c22190199ca1d [1,1,0,0,0,0|1,0,1]=4 585 B15R1.564 CCCCC(CO)Nc1ccc(cc1)Cl e49f4dac0a89edf30c861b850f808d05 [1,1,0,0,0,0|1,0,1]=4 586 B15R1.564 CCCCC(CO)Nc1ccc(cc1)F e6b3c3afdbd305feaffcf7ba64161f0a [1,1,0,0,0,0|1,0,1]=4 587 B15R1.564 CCCCC(CO)Nc1ccc(cc1)I 677499b9feac32ac6b7c739fc0bf6b46 [1,1,0,0,0,0|1,0,1]=4 588 B15R1.564 CCCCC(CO)Nc1ccc(cc1)S 1632ef78e1e78853d48eca217a911728 [1,1,0,0,0,0|1,0,1]=4 589 B15R1.564 CCCCN(CO)Cc1ccc(cc1)C d02c051b4290a1d6098e949e7edd115a [1,1,0,0,0,0|1,0,1]=4 590 B15R1.564 CCCCN(CO)Cc1ccc(cc1)F 9e6c478b653ae8727bcf0ff42cc03ffa [1,1,0,0,0,0|1,0,1]=4 591 B15R1.565 CCCCC(CO)Nc1cccc(c1)Br c81ac77460999aa147d39d05e5905adb [1,1,0,0,0,0|1,0,1]=4 592 B15R1.565 CCCCC(CO)Nc1cccc(c1)C 63cd947a9303a0288f14eb3d4071f16c [1,1,0,0,0,0|1,0,1]=4 593 B15R1.565 CCCCC(CO)Nc1cccc(c1)Cl 49542d47a2cbb43089f112e3ad1b4c58 [1,1,0,0,0,0|1,0,1]=4 594 B15R1.565 CCCCC(CO)Nc1cccc(c1)F b6e5f527ddc804c2c40ff5879108572a [1,1,0,0,0,0|1,0,1]=4 595 B15R1.565 CCCCC(CO)Nc1cccc(c1)I e22c1bc058222b88795f17c9f6efd21d [1,1,0,0,0,0|1,0,1]=4 596 B15R1.565 CCCCC(CO)Nc1cccc(c1)S 7c2ee6f90671f4d0428349e6eef65745 [1,1,0,0,0,0|1,0,1]=4 597 B15R1.565 CCCCN(CO)Cc1cccc(c1)F b2c96f2cd521087a251852c55df176eb [1,1,0,0,0,0|1,0,1]=4 598 B15R1.565 CCCC[C@@H](CO)Nc1cccc(c1)C 903545895b19bc3e40eadc382b94c708 [1,1,0,0,0,0|1,0,1]=4 599 B15R1.565 CCCC[C@H](CO)Nc1cccc(c1)C 8a742fbe5be04655ab448fbd764f8912 [1,1,0,0,0,0|1,0,1]=4 600 B15R1.1047 CCCCC(CO)N(C)c1ccccc1 3377e12d8fbe60c758e842d8f5f66f7a [1,1,0,0,0,0|1,0,1]=4 601 B15R1.1047 CCCCN(CC)C(=O)c1ccccc1 1110bb4c4d5864e8df23bc3bbf7300e8 [1,1,0,0,0,0|2,0,0]=4 602 B15R1.1064 CCCCN(CCO)Cc1ccccc1 322382c9d9a239adda5f4946d8480c39 [1,1,0,0,0,0|1,0,1]=4 603 B15R1.3509 CCCCC(CO)Nc1ccccc1F 98f90a088c140ecd0492ad4dc6d0482e [1,1,0,0,0,0|1,0,1]=4 604 B15R1.3509 CCCCN(CO)Cc1ccccc1Br a7afed9e9ec549322b823989054964cb [1,1,0,0,0,0|1,0,1]=4 605 B15R1.3509 CCCC[C@@H](CO)Nc1ccccc1F a29cf4f85afad90a1d3409b89fe72eda [1,1,0,0,0,0|1,0,1]=4 606 B15R1.3509 CCCC[C@H](CO)Nc1ccccc1F a72c68d80a195e947ed9b8ec45514c73 [1,1,0,0,0,0|1,0,1]=4 607 B15R1.3922 CCCOC(=Cc1ccccc1)C(=O)O bfb94f75b7f2e0c8f4f01393dc013064 [1,1,0,0,0,0|1,0,1]=4 608 B15R1.33 CCCCCCN(CC)c1ccccc1 113385284e6ce39d8704be90a703efcb [0,1,0,0,1,0|2,0,0]=4 609 B15R1.33 CCCCCNC(CC)c1ccccc1 3c76fdbefbacb168d55d5c3e1c6e8e4f [0,1,0,0,1,0|1,0,1]=4 610 B15R1.33 CCCCCNC(CO)c1ccccc1 43df280d0334243fb03bca90e9c12592 [0,1,0,0,1,0|0,0,1]=3 611 B15R1.33 CCCCCNC(CO)c1ccccn1 68baef46dc4b10b2cab4c5b7c30e8b20 [0,1,0,0,1,0|1,0,1]=4 612 B15R1.33 CCCCCNC(CO)c1cccnc1 38aa698913539591c64815555ca40628 [0,1,0,0,1,0|1,0,1]=4 613 B15R1.33 CCCCCNC(CO)c1ccncc1 a216d820ebe879f38f9fb2e243e5cabb [0,1,0,0,1,0|1,0,1]=4 614 B15R1.33 CCCCCN[C@@H](CC)c1ccccc1 0059afb2cba8853de42f89528e15fa42 [0,1,0,0,1,0|1,0,1]=4 615 B15R1.33 CCCCCN[C@@H](CF)c1ccccc1 521012a56261ed2eea28e9aa1d2aeed2 [0,1,0,0,1,0|1,0,1]=4 616 B15R1.33 CCCCCN[C@@H](CO)c1ccccc1 5e70199ab3dcd7adef023282c22fe212 [0,1,0,0,1,0|0,0,1]=3 617 B15R1.33 CCCCCN[C@@H](CO)c1cccnc1 45a072c76ffff06de00ec0a74664891b [0,1,0,0,1,0|1,0,1]=4 618 B15R1.33 CCCCCN[C@H](CC)c1ccccc1 c3ec3b78de19d0e9e38a466815bf1bc0 [0,1,0,0,1,0|1,0,1]=4 619 B15R1.33 CCCCCN[C@H](CO)c1ccccc1 f792cd6edd01ecd79952957450a841e8 [0,1,0,0,1,0|0,0,1]=3 620 B15R1.33 CCCCCN[C@H](CO)c1cccnc1 ae39b77df7b71519218e0a42a4d2ba4b [0,1,0,0,1,0|1,0,1]=4 621 B15R1.33 CCCCCN[C@H](CO)c1ccncc1 85d041a81a3458fc77353f1fbe93f018 [0,1,0,0,1,0|1,0,1]=4 622 B15R1.33 CCCCCOC(CC)c1ccccc1 525655371121712a53d2955a2b19e8a1 [0,1,0,0,1,0|1,0,1]=4 623 B15R1.33 CCCCCOC(CF)c1ccccc1 684a360f7f718575ac87e09b4f37882f [0,1,0,0,1,0|1,0,1]=4 624 B15R1.33 CCCCCO[C@@H](CC)c1ccccc1 60b77625cc84e47b45c7535634049223 [0,1,0,0,1,0|1,0,1]=4 625 B15R1.33 CCCCCO[C@H](CC)c1ccccc1 59e205cd4b35be25b061bfd10a910800 [0,1,0,0,1,0|1,0,1]=4 626 B15R1.33 CCCCCO[C@H](CF)c1ccccc1 aa4a967bae8859a2db3e4b0981cd350b [0,1,0,0,1,0|1,0,1]=4 627 B15R1.33 CCCCNCC(CO)c1ccccc1 283a396be2c5cb84be59ecb82056b2ec [0,1,0,0,1,0|0,0,1]=3 628 B15R1.33 CCCCOCC(CC)c1ccccc1 468a18a90decf2b15050e6f2c261eb15 [0,1,0,0,1,0|1,0,1]=4 629 B15R1.33 CCCCOCN(CC)c1ccccc1 4e4034d0ebe217733908019f92962d9b [0,1,0,0,1,0|2,0,0]=4 630 B15R1.33 CCCOCCN(CC)c1ccccc1 a6a00356c28dd78a0b14470a8a867fb8 [0,1,0,0,1,0|2,0,0]=4 631 B15R1.33 CCN(CCCCOC)c1ccccc1 a73154f0a99435a1ab4f4b6a68e91dce [0,1,0,0,1,0|2,0,0]=4 632 B15R1.33 CCOCCCN(CC)c1ccccc1 c3b4ed4a97a4b5f0cf55f33fea9f7c1a [0,1,0,0,1,0|2,0,0]=4 633 B15R1.33 CCOCCNC(CO)c1ccccc1 4ebbe0129aa2df7436665c4e33a7c7db [0,1,0,0,1,0|1,0,1]=4 634 B15R1.33 CCOCCN[C@@H](CO)c1ccccc1 85698d55d5cbbf47e270023ee5bf3fbb [0,1,0,0,1,0|1,0,1]=4 635 B15R1.33 CCOCCN[C@H](CO)c1ccccc1 1f57706f26803db71126a5abf143e11d [0,1,0,0,1,0|1,0,1]=4 636 B15R1.33 CCOCNCC(CO)c1ccccc1 0c82f2780425b9877291162954ef5c89 [0,1,0,0,1,0|1,0,1]=4 637 B15R1.33 CCSCCNC(CO)c1ccccc1 9e334882b45489e545109ea15804ba66 [0,1,0,0,1,0|1,0,1]=4 638 B15R1.33 CCSCCN[C@@H](CO)c1ccccc1 537a1a6e78c8cc30b99b824637a33b6b [0,1,0,0,1,0|1,0,1]=4 639 B15R1.33 CCSCCN[C@H](CO)c1ccccc1 25ecf43bf002dd763cd7472fdabf18b9 [0,1,0,0,1,0|1,0,1]=4 640 B15R1.33 COCCCNC(CO)c1ccccc1 ea0c420a393f9d7d881f33c02bb097d6 [0,1,0,0,1,0|1,0,1]=4 641 B15R1.33 COCCCN[C@@H](CO)c1ccccc1 b0343a67a91e70c1d817d3595e0f4d23 [0,1,0,0,1,0|1,0,1]=4 642 B15R1.33 COCCCN[C@H](CO)c1ccccc1 e2a727ab4e3082a12c1af30774bb1b61 [0,1,0,0,1,0|1,0,1]=4 643 B15R1.33 COCCNCC(CO)c1ccccc1 412aefcfde7d9f853364329768b2a613 [0,1,0,0,1,0|1,0,1]=4 644 B15R1.33 CSCCCNC(CO)c1ccccc1 399c8c338d2805f4ae4db249b31fb30c [0,1,0,0,1,0|1,0,1]=4 645 B15R1.33 CSCCCN[C@@H](CO)c1ccccc1 3cc9832f8a901e87c8f8fef465347ae0 [0,1,0,0,1,0|1,0,1]=4 646 B15R1.33 CSCCCN[C@H](CO)c1ccccc1 ca7cba2333cb7ac208bd368a10a3c0f1 [0,1,0,0,1,0|1,0,1]=4 647 B15R1.33 CSCCNCC(CO)c1ccccc1 ef66ed3e3e8a0eb204b08f6cbd9626d4 [0,1,0,0,1,0|1,0,1]=4 648 B15R1.33 OCC(CNCCCF)c1ccccc1 21791a08057c6508ecb0337fde1e22b5 [0,1,0,0,1,0|1,0,1]=4 649 B15R1.33 OCC(CNCCCS)c1ccccc1 396608a4d6ce33d245d3122ed7524afa [0,1,0,0,1,0|1,0,1]=4 650 B15R1.33 OCC(NCCCCF)c1ccccc1 9c4844117f45fc09ff4dba1d16a5c96e [0,1,0,0,1,0|1,0,1]=4 651 B15R1.33 OCCCCNC(CO)c1ccccc1 ad7c4615c8fd6fadfd91e26bd65cda43 [0,1,0,0,1,0|1,0,1]=4 652 B15R1.33 OCCCCN[C@@H](CO)c1ccccc1 8d1acf441a6bb8f28d5ee5a0f008e19e [0,1,0,0,1,0|1,0,1]=4 653 B15R1.33 OCCCCN[C@H](CO)c1ccccc1 b9446b6b8d05753060deee3b791408ee [0,1,0,0,1,0|1,0,1]=4 654 B15R1.33 OCCCNCC(CO)c1ccccc1 13206de9b565368a8477e6652024dec5 [0,1,0,0,1,0|1,0,1]=4 655 B15R1.33 OC[C@@H](NCCCCF)c1ccccc1 557908a86cec18198f6607f6a51f4894 [0,1,0,0,1,0|1,0,1]=4 656 B15R1.33 OC[C@H](NCCCCF)c1ccccc1 60a4b436045040b71c75d1d28fcc62fc [0,1,0,0,1,0|1,0,1]=4 657 B15R1.101 CCCCCN(CC)c1ccc(cc1)Br 890daf5140d0156297829a3c70645769 [0,1,0,0,1,0|2,0,0]=4 658 B15R1.101 CCCCCN(CC)c1ccc(cc1)C 97b1cb2a7839baa57b0c3c9749732f25 [0,1,0,0,1,0|2,0,0]=4 659 B15R1.101 CCCCCN(CC)c1ccc(cc1)Cl 0da60a213c260d85f3f0ab9f53f058fb [0,1,0,0,1,0|2,0,0]=4 660 B15R1.101 CCCCCN(CC)c1ccc(cc1)F 10ad6a7d35d4802e3ab46cf6f04155f4 [0,1,0,0,1,0|2,0,0]=4 661 B15R1.101 CCCCNC(CO)c1ccc(cc1)Br db0d37224676af6b3a55386228c0e239 [0,1,0,0,1,0|1,0,1]=4 662 B15R1.101 CCCCNC(CO)c1ccc(cc1)C d0c105ee20c0be8e3e9d4837caaaeb9d [0,1,0,0,1,0|1,0,1]=4 663 B15R1.101 CCCCNC(CO)c1ccc(cc1)Cl 9b5eb849a8dc4e0cc37965ee3d625047 [0,1,0,0,1,0|1,0,1]=4 664 B15R1.101 CCCCNC(CO)c1ccc(cc1)F 522cc271a4ffb20fd466ac3ad617eaaf [0,1,0,0,1,0|1,0,1]=4 665 B15R1.101 CCCCN[C@@H](CO)c1ccc(cc1)Br 8bdc86b366c492ab167174a795d995d5 [0,1,0,0,1,0|1,0,1]=4 666 B15R1.101 CCCCN[C@@H](CO)c1ccc(cc1)C be41057d37b46364a37e9d6f6c767938 [0,1,0,0,1,0|1,0,1]=4 667 B15R1.101 CCCCN[C@@H](CO)c1ccc(cc1)Cl a600b141d4a04c7447b4fdd8c79084b8 [0,1,0,0,1,0|1,0,1]=4 668 B15R1.101 CCCCN[C@@H](CO)c1ccc(cc1)F 74134625b856fa2c53872eab367837a1 [0,1,0,0,1,0|1,0,1]=4 669 B15R1.101 CCCCN[C@H](CO)c1ccc(cc1)Br 7a4049f33e612967d31aa5675320aea4 [0,1,0,0,1,0|1,0,1]=4 670 B15R1.101 CCCCN[C@H](CO)c1ccc(cc1)C 0a8ffd8fa120f85c298fb3a3c60790c9 [0,1,0,0,1,0|1,0,1]=4 671 B15R1.101 CCCCN[C@H](CO)c1ccc(cc1)Cl 7b5faa7f0db59dc4bd98a7d0fe16f657 [0,1,0,0,1,0|1,0,1]=4 672 B15R1.101 CCCCN[C@H](CO)c1ccc(cc1)F d48cdc678ca4409ece13ee235af1a063 [0,1,0,0,1,0|1,0,1]=4 673 B15R1.102 CCCCCN(CC)c1cccc(c1)Br 83ec7a3fcfbd4a5d382b05a7f4a3f4a6 [0,1,0,0,1,0|2,0,0]=4 674 B15R1.102 CCCCCN(CC)c1cccc(c1)Cl 8480d010c3818a3fe6c3b2f0839c3e3f [0,1,0,0,1,0|2,0,0]=4 675 B15R1.102 CCCCCN(CC)c1cccc(c1)F 5c5458515c2948dafeaa26ac76389591 [0,1,0,0,1,0|2,0,0]=4 676 B15R1.102 CCCCNC(CO)c1cccc(c1)Br 86a150ab9d13276620a7ea0d385f210d [0,1,0,0,1,0|1,0,1]=4 677 B15R1.102 CCCCNC(CO)c1cccc(c1)C 268ec02283c13a38107d7516df33724c [0,1,0,0,1,0|1,0,1]=4 678 B15R1.102 CCCCNC(CO)c1cccc(c1)Cl 0bc1cfae5d4afebdb06c7c2e47f4ea4d [0,1,0,0,1,0|1,0,1]=4 679 B15R1.102 CCCCNC(CO)c1cccc(c1)F 6eec3d65e4461debe2b005095591c8d1 [0,1,0,0,1,0|1,0,1]=4 680 B15R1.102 CCCCN[C@@H](CO)c1cccc(c1)Br fff58406bc76a4496ed99eed9c5df792 [0,1,0,0,1,0|1,0,1]=4 681 B15R1.102 CCCCN[C@@H](CO)c1cccc(c1)C 5d80fffa2980147c121fc517db1c91ef [0,1,0,0,1,0|1,0,1]=4 682 B15R1.102 CCCCN[C@@H](CO)c1cccc(c1)Cl e7c20b2130119d15dc035ec0727c0fc7 [0,1,0,0,1,0|1,0,1]=4 683 B15R1.102 CCCCN[C@@H](CO)c1cccc(c1)F a842fb9f6c832ca158fa7959212b48e3 [0,1,0,0,1,0|1,0,1]=4 684 B15R1.102 CCCCN[C@H](CO)c1cccc(c1)Br f4f038a9cd95508e3ae21c3ed7e0da42 [0,1,0,0,1,0|1,0,1]=4 685 B15R1.102 CCCCN[C@H](CO)c1cccc(c1)C 31fc550a955d4d30186708a020bc4b0c [0,1,0,0,1,0|1,0,1]=4 686 B15R1.102 CCCCN[C@H](CO)c1cccc(c1)Cl a67bfbcea44a1f276e9b7d592306b569 [0,1,0,0,1,0|1,0,1]=4 687 B15R1.102 CCCCN[C@H](CO)c1cccc(c1)F 3c3ffa01683a80a29066706dfcc77e38 [0,1,0,0,1,0|1,0,1]=4 688 B15R1.1097 CCC(C)CNC(CO)c1ccccc1 b6e4b2f35ef1f5f330480d9117cfd74a [0,1,0,0,1,0|1,0,1]=4 689 B15R1.1097 CCC(C)CN[C@@H](CO)c1ccccc1 edd76d59fdbbeed00e43496255d82163 [0,1,0,0,1,0|1,0,1]=4 690 B15R1.1097 CCC(C)CN[C@H](CO)c1ccccc1 1d0fbfccc21be73b652d60c39cedc604 [0,1,0,0,1,0|1,0,1]=4 691 B15R1.1097 CCC(C)NCC(CO)c1ccccc1 32490267c162a8763763979b06de55d1 [0,1,0,0,1,0|1,0,1]=4 692 B15R1.1097 CCC(O)CNC(CO)c1ccccc1 f2d0c20d908b5e5ac27d5dfae146ee24 [0,1,0,0,1,0|1,0,1]=4 693 B15R1.1097 CCC(O)CN[C@@H](CO)c1ccccc1 f856a6186991126df843778093e1129c [0,1,0,0,1,0|1,0,1]=4 694 B15R1.1097 CCC(O)CN[C@H](CO)c1ccccc1 ac67778ac041ca8ef760c16c4ba1b04c [0,1,0,0,1,0|1,0,1]=4 695 B15R1.1097 CC[C@@H](C)CNC(CO)c1ccccc1 f3dccfd8b41dde538abcf55c4801e8f8 [0,1,0,0,1,0|1,0,1]=4 696 B15R1.1097 CC[C@@H](C)CN[C@@H](CO)c1ccccc1 9a88c71282d67b48d34b13e62b388de0 [0,1,0,0,1,0|1,0,1]=4 697 B15R1.1097 CC[C@@H](C)CN[C@H](CO)c1ccccc1 783ad3bb78e758aa292ddb09d3801217 [0,1,0,0,1,0|1,0,1]=4 698 B15R1.1097 CC[C@H](C)CNC(CO)c1ccccc1 5ca5f80db5b08fac3c63996791994223 [0,1,0,0,1,0|1,0,1]=4 699 B15R1.1097 CC[C@H](C)CN[C@@H](CO)c1ccccc1 f2a545a1e5a01feaca35700f3189cc7e [0,1,0,0,1,0|1,0,1]=4 700 B15R1.1097 CC[C@H](C)CN[C@H](CO)c1ccccc1 7e8ad49104b867b334931a111c84cdef [0,1,0,0,1,0|1,0,1]=4 701 B15R1.1215 CCCCN(C)C(CO)c1ccccc1 0b897328fd5f7d730cb419f0dd677a86 [0,1,0,0,1,0|1,0,1]=4 702 B15R1.1215 CCCCN(C)[C@@H](CO)c1ccccc1 52f468b769aba0284f0fde1e307448f6 [0,1,0,0,1,0|1,0,1]=4 703 B15R1.1215 CCCCN(C)[C@H](CO)c1ccccc1 aa26e0a54d2e5054753c2cb85a9a66e8 [0,1,0,0,1,0|1,0,1]=4 704 B15R1.1412 C#CCN(CCCCC)c1ccccc1 9f6b53c61b016b765efe1dca96e73a0f [0,1,0,0,1,0|2,0,0]=4 705 B15R1.1412 C=CCN(CCCCC)c1ccccc1 6a82bcedd75d37e25dc418435088db2e [0,1,0,0,1,0|2,0,0]=4 706 B15R1.1412 CCCCCC(NCC)c1ccccc1 d2b53bc0b1783c09a3f1d3fa6226efde [0,1,0,0,1,0|1,0,1]=4 707 B15R1.1412 CCCCCC(NCF)c1ccccc1 1c20f1aa5a741318e0296f1e18303eb1 [0,1,0,0,1,0|1,0,1]=4 708 B15R1.1412 CCCCCC(NCO)c1ccccc1 c2f430ec93d2a400485a76171f290db3 [0,1,0,0,1,0|0,0,1]=3 709 B15R1.1412 CCCCCC(OCC)c1ccccc1 7e8f1d58c26e942b01b8418492eca957 [0,1,0,0,1,0|1,0,1]=4 710 B15R1.1412 CCCCCC(OCF)c1ccccc1 26292b4b79cc961e316f8d0aa8378b1a [0,1,0,0,1,0|1,0,1]=4 711 B15R1.1412 CCCCCN(CC=O)c1ccccc1 0ce04027d7f7486519b5b687ee781be3 [0,1,0,0,1,0|1,0,1]=4 712 B15R1.1412 CCCCCN(CCC)c1ccccc1 d4a7fadcee5a9d9055b6ce6c5376d73a [0,1,0,0,1,0|2,0,0]=4 713 B15R1.1412 CCCCCN(CCF)c1ccccc1 85f702057dc7ff39e48eecbfa877b53f [0,1,0,0,1,0|2,0,0]=4 714 B15R1.1412 CCCCCN(CCO)c1ccccc1 50bb9e71470f7ef4045686247866235b [0,1,0,0,1,0|1,0,0]=3 715 B15R1.1412 CCCCCN(CCO)c1cccnc1 dbb04c1c901c1dad53e347f1f2f48ea5 [0,1,0,0,1,0|2,0,0]=4 716 B15R1.1412 CCCCCN(CCO)c1ccncc1 bff22a3d8656d6e4a632164eb3d9a67d [0,1,0,0,1,0|2,0,0]=4 717 B15R1.1412 CCCCNC(CCO)c1ccccc1 38217a597878fee400d01fad3f158bf1 [0,1,0,0,1,0|1,0,1]=4 718 B15R1.1412 CCCCNC(COC)c1ccccc1 82c0eb30ccf135da49d9687644e822e3 [0,1,0,0,1,0|1,0,1]=4 719 B15R1.1412 CCCCN[C@@H](CCO)c1ccccc1 5f6317a0374aab6597a81be402d5a107 [0,1,0,0,1,0|1,0,1]=4 720 B15R1.1412 CCCCN[C@@H](COC)c1ccccc1 07b0047a14f77a1f1436c2c611c1ba80 [0,1,0,0,1,0|1,0,1]=4 721 B15R1.1412 CCCCN[C@H](CCO)c1ccccc1 13b689c87a22dbd739c3c000d5d40756 [0,1,0,0,1,0|1,0,1]=4 722 B15R1.1412 CCCCN[C@H](COC)c1ccccc1 b7cf13b92789c78ca860567e79d0c9e3 [0,1,0,0,1,0|1,0,1]=4 723 B15R1.1412 CCOCCN(CCO)c1ccccc1 8a73d16afa91ca117a8e177a1efbab7c [0,1,0,0,1,0|2,0,0]=4 724 B15R1.1412 CCSCCN(CCO)c1ccccc1 da11d3da9cfbdb44197d3729b4c82730 [0,1,0,0,1,0|2,0,0]=4 725 B15R1.1412 COCCCN(CCO)c1ccccc1 d043ec0d31f7430895cc506efdd53da8 [0,1,0,0,1,0|2,0,0]=4 726 B15R1.1412 CSCCCN(CCO)c1ccccc1 5dae767253c98081cc23a37421e30bd4 [0,1,0,0,1,0|2,0,0]=4 727 B15R1.1412 OCCCCN(CCO)c1ccccc1 82252e8c6c6eb0e88936f78836839ecb [0,1,0,0,1,0|2,0,0]=4 728 B15R1.3402 CCCCNC(CO)c1ccccc1Br 0f2f0efb065ac5a814e3233fc34c4fd6 [0,1,0,0,1,0|1,0,1]=4 729 B15R1.3402 CCCCNC(CO)c1ccccc1C b224186f5894d1318e27acc615a87025 [0,1,0,0,1,0|1,0,1]=4 730 B15R1.3402 CCCCNC(CO)c1ccccc1Cl 35a213bc2fccd7307c0851aba41fcea5 [0,1,0,0,1,0|1,0,1]=4 731 B15R1.3402 CCCCNC(CO)c1ccccc1F eebba6d418f28af27c5adbf2f5c4cd09 [0,1,0,0,1,0|1,0,1]=4 732 B15R1.3402 CCCCN[C@@H](CO)c1ccccc1Br 5e295ad856157d31541c4e4441e5ae36 [0,1,0,0,1,0|1,0,1]=4 733 B15R1.3402 CCCCN[C@@H](CO)c1ccccc1C f968e2098389d60cf349ebf9c840b218 [0,1,0,0,1,0|1,0,1]=4 734 B15R1.3402 CCCCN[C@@H](CO)c1ccccc1Cl 8bd119a70bfd2cd9bf444419f41ccfbb [0,1,0,0,1,0|1,0,1]=4 735 B15R1.3402 CCCCN[C@@H](CO)c1ccccc1F 5a88f4f224eba3f633634b0e4191b564 [0,1,0,0,1,0|1,0,1]=4 736 B15R1.3402 CCCCN[C@H](CO)c1ccccc1Br 9fbf1b992dd51a7a02b84516f5fe6cce [0,1,0,0,1,0|1,0,1]=4 737 B15R1.3402 CCCCN[C@H](CO)c1ccccc1Cl a2a82047c6596f5ddecdc66f18b61a82 [0,1,0,0,1,0|1,0,1]=4 738 B15R1.3402 CCCCN[C@H](CO)c1ccccc1F 23a8dd14100b0148cc38229273b2dbd4 [0,1,0,0,1,0|1,0,1]=4 739 B15R1.3474 CCCCNC(c1ccccc1)C(C)O 56515b61c6545e0bdec1ef71d90f2139 [0,1,0,0,1,0|1,0,1]=4 740 B15R1.3474 CCCCN[C@@H](c1ccccc1)[C@@H](C)O 880c5f515a75a6f23a40d4d8c4682c4e [0,1,0,0,1,0|1,0,1]=4 741 B15R1.3474 CCCCN[C@H](c1ccccc1)[C@H](C)O 1ded4f7cc2522cde24658ead94055cdb [0,1,0,0,1,0|1,0,1]=4 742 B15R1.5331 CC(C)CCNC(CO)c1ccccc1 dd7521dbf821540598ce27c54da53d8a [0,1,0,0,1,0|1,0,1]=4 743 B15R1.5331 CC(C)CCN[C@@H](CO)c1ccccc1 87212a6032930e031b522bf7e7b2f991 [0,1,0,0,1,0|1,0,1]=4 744 B15R1.5331 CC(C)CCN[C@H](CO)c1ccccc1 ba76ecb86ed3e6968f3874a12a129be4 [0,1,0,0,1,0|1,0,1]=4 745 B15R1.5331 CC(C)CNCC(CO)c1ccccc1 60566509e6b615643d9a2d62d34b3ae0 [0,1,0,0,1,0|1,0,1]=4 746 B15R1.5331 CC(O)CCNC(CO)c1ccccc1 e3cbd4f0288239d3521303e92ad510f7 [0,1,0,0,1,0|1,0,1]=4 747 B15R1.5331 CC(O)CCN[C@@H](CO)c1ccccc1 2940e6ab6334b990b4a0556e7765288d [0,1,0,0,1,0|1,0,1]=4 748 B15R1.5331 CC(O)CCN[C@H](CO)c1ccccc1 063d977364bee650ab6e00c84589a55d [0,1,0,0,1,0|1,0,1]=4 749 B15R1.5331 CC(O)CNCC(CO)c1ccccc1 ca4e1642db67d31b81e78f11fd93f5f1 [0,1,0,0,1,0|1,0,1]=4 750 B15R1.5331 CCN(CCCC(C)C)c1ccccc1 2fcc1e2037e4ee51266a98a09e572466 [0,1,0,0,1,0|2,0,0]=4 751 B15R1.5331 C[C@@H](O)CNCC(CO)c1ccccc1 b72523a588c5c3be8bd047198785fad3 [0,1,0,0,1,0|1,0,1]=4 752 B15R1.5331 C[C@H](O)CNCC(CO)c1ccccc1 b041c92be248bed5445808b9c2b21cb2 [0,1,0,0,1,0|1,0,1]=4 753 B17R1.5128 CCCCCNC(CO)CCc1ccccc1 989f0a891756db8c56b09c8cfbf0845b [0,1,0,0,0,1|0,0,2]=4 754 B17R1.5128 CCCCCN[C@@H](CO)CCc1ccccc1 421fdf8502ae94f337d6b16942dbecfe [0,1,0,0,0,1|0,0,2]=4 755 B17R1.5128 CCCCCN[C@H](CO)CCc1ccccc1 6049ae62e5bae6fa11b282a5a8243891 [0,1,0,0,0,1|0,0,2]=4 756 B17R1.25050 CCCCCN(CCO)CCc1ccccc1 eefc322f1fb3dfdb434777fc60beb6de [0,1,0,0,0,1|1,0,1]=4 757 B17R1.5389 CCCC(C)OC(=Cc1ccccc1)C(=O)O 2378fafbe51f8b73da2b316aa04e7631 [0,2,0,0,0,0|1,0,1]=4 758 B17R1.1462 CCCCCNC(CO)Cc1ccc(cc1)C 85f84382572e788a29bc6634c1855cf4 [0,2,0,0,0,0|0,0,2]=4 759 B17R1.1462 CCCCCNC(CO)Cc1ccc(cc1)Cl 916d6b82fdcd3b3f096d7d6bf4556650 [0,2,0,0,0,0|0,0,2]=4 760 B17R1.1462 CCCCCNC(CO)Cc1ccc(cc1)F 207bbcc9cbb620a3a952aafa75c8acd9 [0,2,0,0,0,0|0,0,2]=4 761 B17R1.1462 CCCCCN[C@@H](CO)Cc1ccc(cc1)Br 1a87d06ac263ba7e6430889a2d79d76b [0,2,0,0,0,0|0,0,2]=4 762 B17R1.1462 CCCCCN[C@@H](CO)Cc1ccc(cc1)Cl b33fedaa4213f396108ec28bdbcf972a [0,2,0,0,0,0|0,0,2]=4 763 B17R1.1462 CCCCCN[C@@H](CO)Cc1ccc(cc1)F 766e75edf1efaca6d61efbd050dfb468 [0,2,0,0,0,0|0,0,2]=4 764 B17R1.1462 CCCCCN[C@@H](CO)Cc1ccc(cc1)I 77e8653d3089414ec70aa8a5876d8e72 [0,2,0,0,0,0|0,0,2]=4 765 B17R1.1462 CCCCCN[C@H](CO)Cc1ccc(cc1)Br 997fc3a2cd354fb971f7a79e0f61e563 [0,2,0,0,0,0|0,0,2]=4 766 B17R1.1462 CCCCCN[C@H](CO)Cc1ccc(cc1)C feb3d82e302e004d33583e6bb7aa55ab [0,2,0,0,0,0|0,0,2]=4 767 B17R1.1462 CCCCCN[C@H](CO)Cc1ccc(cc1)Cl db15dbafc4052715bb3f42c9d50e7ec6 [0,2,0,0,0,0|0,0,2]=4 768 B17R1.1462 CCCCCN[C@H](CO)Cc1ccc(cc1)F 10f5233003e70017c55791b5387806d8 [0,2,0,0,0,0|0,0,2]=4 769 B17R1.1500 CCCCCN(CCO)Cc1ccc(cc1)Br 773f2f118feb3ff2fb0356d6ed0c748a [0,2,0,0,0,0|1,0,1]=4 770 B17R1.1500 CCCCCN(CCO)Cc1ccc(cc1)C ac5ed04194a4b72c04030739c6a53ec4 [0,2,0,0,0,0|1,0,1]=4 771 B17R1.1500 CCCCCN(CCO)Cc1ccc(cc1)Cl f3cfc321ea6d1b448239404a4545b643 [0,2,0,0,0,0|1,0,1]=4 772 B17R1.1500 CCCCCN(CCO)Cc1ccc(cc1)F 3d4fa8a1233d3513737be77a290212c8 [0,2,0,0,0,0|1,0,1]=4 773 B17R1.1500 CCCCCN(CCO)Cc1ccc(cc1)I 81be17e9fae0dc36cc5e8d03b9d49135 [0,2,0,0,0,0|1,0,1]=4 774 B17R1.1500 CCCCCN(COC)Cc1ccc(cc1)F 7c803159fe51a1f44e9d7ffb8d878499 [0,2,0,0,0,0|1,0,1]=4 775 B17R1.1463 CCCCCNC(CO)Cc1cccc(c1)Br ac8d66704749248b6bcd53de04447eb4 [0,2,0,0,0,0|0,0,2]=4 776 B17R1.1463 CCCCCNC(CO)Cc1cccc(c1)C 8ba3f69cf5f46d1efaec78af8d4b2609 [0,2,0,0,0,0|0,0,2]=4 777 B17R1.1463 CCCCCNC(CO)Cc1cccc(c1)Cl 637dd44b79ef64db582a9d66000c058c [0,2,0,0,0,0|0,0,2]=4 778 B17R1.1463 CCCCCNC(CO)Cc1cccc(c1)F fef6629664f42687ecf015bf5ce0aa3a [0,2,0,0,0,0|0,0,2]=4 779 B17R1.1463 CCCCCN[C@@H](CO)Cc1cccc(c1)F edd4821856cb61e0c8da0ca6a9992c76 [0,2,0,0,0,0|0,0,2]=4 780 B17R1.1463 CCCCCN[C@H](CO)Cc1cccc(c1)Br 92972c8fbb5c3953c50f04efa01cdb60 [0,2,0,0,0,0|0,0,2]=4 781 B17R1.1463 CCCCCN[C@H](CO)Cc1cccc(c1)Cl a30078592ff139545349445a2b1202ce [0,2,0,0,0,0|0,0,2]=4 782 B17R1.1463 CCCCCN[C@H](CO)Cc1cccc(c1)F 6e094e75829ee9995221aeff163d8542 [0,2,0,0,0,0|0,0,2]=4 783 B17R1.1501 CCCCCN(CCO)Cc1cccc(c1)Br aa89e9905e0443f5f000c234d49558ee [0,2,0,0,0,0|1,0,1]=4 784 B17R1.1501 CCCCCN(CCO)Cc1cccc(c1)C a7a5ed17d4ceab3b26b2745a49094c08 [0,2,0,0,0,0|1,0,1]=4 785 B17R1.1501 CCCCCN(CCO)Cc1cccc(c1)Cl 62849934474692425d3aaee750d9eeb1 [0,2,0,0,0,0|1,0,1]=4 786 B17R1.1501 CCCCCN(CCO)Cc1cccc(c1)F 53eba117318e4e4514c1d7208014e4ee [0,2,0,0,0,0|1,0,1]=4 787 B17R1.1501 CCCCCN(CCO)Cc1cccc(c1)I 51250b96dfda37eabfe3cf64f5182c30 [0,2,0,0,0,0|1,0,1]=4 788 B17R1.25611 CCCCCN(CO)Cc1cc(cc(c1)Br)F 3f87269ca729647322c791bd9bbfe2bc [0,2,0,0,0,0|1,0,1]=4 789 B17R1.304 CCCCCCNC(CO)Cc1ccccc1 5eab4ebfd14b92e81c77b3e4df3f6d88 [0,2,0,0,0,0|0,0,2]=4 790 B17R1.304 CCCCCCN[C@@H](CO)Cc1ccccc1 07ed5e59867c779d7b2f4ee174e04c1b [0,2,0,0,0,0|0,0,2]=4 791 B17R1.304 CCCCCCN[C@H](CO)Cc1ccccc1 93853196487e68cf5917571f4b0367d2 [0,2,0,0,0,0|0,0,2]=4 792 B17R1.304 CCCCCNCC(CO)Cc1ccccc1 df779c66389cca51b6bfc82039199543 [0,2,0,0,0,0|0,0,2]=4 793 B17R1.304 CCCCOCNC(CO)Cc1ccccc1 1379d21ee8d60b2afa01ef13c648e0ed [0,2,0,0,0,0|0,0,2]=4 794 B17R1.304 CCCCOCN[C@@H](CO)Cc1ccccc1 fa79154ddfc16feb7649f242535a03ee [0,2,0,0,0,0|0,0,2]=4 795 B17R1.304 CCCCOCN[C@H](CO)Cc1ccccc1 bd08ae549c49e766cb024aad0446b1fd [0,2,0,0,0,0|0,0,2]=4 796 B17R1.304 CCCOCCNC(CO)Cc1ccccc1 7beb217746170fcc71bf5429c7823375 [0,2,0,0,0,0|0,0,2]=4 797 B17R1.304 CCCOCCN[C@@H](CO)Cc1ccccc1 dd215dda60d859a6c6cafb118cc6ffbb [0,2,0,0,0,0|0,0,2]=4 798 B17R1.304 CCCOCCN[C@H](CO)Cc1ccccc1 5b713ff1f12ed9f8793984fa974bf514 [0,2,0,0,0,0|0,0,2]=4 799 B17R1.304 CCOCCCNC(CO)Cc1ccccc1 95fc0fe4f7793ee4ad400265a56d83e3 [0,2,0,0,0,0|0,0,2]=4 800 B17R1.304 CCOCCCN[C@@H](CO)Cc1ccccc1 cce3999a1b3a11416aed394dde334cd7 [0,2,0,0,0,0|0,0,2]=4 801 B17R1.304 CCOCCCN[C@H](CO)Cc1ccccc1 4429103dce9c05413632613808c68422 [0,2,0,0,0,0|0,0,2]=4 802 B17R1.304 CCOCCNCC(CO)Cc1ccccc1 dd36de7727ac16235cfd32a4ed4811e3 [0,2,0,0,0,0|0,0,2]=4 803 B17R1.304 CCSCCCNC(CO)Cc1ccccc1 c201d8617ef6a86feadae802adc68658 [0,2,0,0,0,0|0,0,2]=4 804 B17R1.304 CCSCCCN[C@@H](CO)Cc1ccccc1 5c7234ff6ee6ad4e1e366f6331094119 [0,2,0,0,0,0|0,0,2]=4 805 B17R1.304 CCSCCCN[C@H](CO)Cc1ccccc1 3a03f038eeedda3a1f73b31981497deb [0,2,0,0,0,0|0,0,2]=4 806 B17R1.304 CCSCCNCC(CO)Cc1ccccc1 9bb2f2a45247fa8c62f834afdd0e382a [0,2,0,0,0,0|0,0,2]=4 807 B17R1.304 COCCCCNC(CO)Cc1ccccc1 7c6f18792e919799615136cf8b261d5c [0,2,0,0,0,0|0,0,2]=4 808 B17R1.304 COCCCCN[C@@H](CO)Cc1ccccc1 a6496c9d847d7d2daa9de55af49054e0 [0,2,0,0,0,0|0,0,2]=4 809 B17R1.304 COCCCCN[C@H](CO)Cc1ccccc1 33de5f255bcd52fc179a0e594d7e72dc [0,2,0,0,0,0|0,0,2]=4 810 B17R1.304 COCCCNCC(CO)Cc1ccccc1 a3bbcc14f9efb2477d547faa62084a25 [0,2,0,0,0,0|0,0,2]=4 811 B17R1.304 CSCCCNCC(CO)Cc1ccccc1 ae002ae9690fddb2d458e46849f4679d [0,2,0,0,0,0|0,0,2]=4 812 B17R1.304 OCC(CNCCCCF)Cc1ccccc1 9c976820537551c3cdf59b06b79e0864 [0,2,0,0,0,0|0,0,2]=4 813 B17R1.304 OCC(Cc1ccccc1)NCCCCCF b4cb63958b57cf216c302adeadc8ae18 [0,2,0,0,0,0|0,0,2]=4 814 B17R1.304 OCCCCCCN(CO)Cc1ccccc1 c0b0f68ede6b7e54182b7cb05dcbfd8b [0,2,0,0,0,0|1,0,1]=4 815 B17R1.304 OCCCCCNC(CO)Cc1ccccc1 f76691f7de42e8210875c709159eaac7 [0,2,0,0,0,0|0,0,2]=4 816 B17R1.304 OCCCCCN[C@@H](CO)Cc1ccccc1 4dd7567cbedb74ba4c990fee5d12548b [0,2,0,0,0,0|0,0,2]=4 817 B17R1.304 OCCCCCN[C@H](CO)Cc1ccccc1 f4e2c27cf5d6b7c6faceda93f2eaeca4 [0,2,0,0,0,0|0,0,2]=4 818 B17R1.304 OCCCCNCC(CO)Cc1ccccc1 a9b74666ab9e3af95ec0d61fd0a1bc51 [0,2,0,0,0,0|0,0,2]=4 819 B17R1.304 OC[C@@H](Cc1ccccc1)NCCCCCF 77cca0712821f141193393862ef71d69 [0,2,0,0,0,0|0,0,2]=4 820 B17R1.304 OC[C@H](Cc1ccccc1)NCCCCCF 9a3321edcb10871185b4d4680df8d44e [0,2,0,0,0,0|0,0,2]=4 821 B17R1.317 CCCCCNC(CO)C(O)c1ccccc1 4084e05cf6dbbab44721df9993389185 [0,2,0,0,0,0|0,0,2]=4 822 B17R1.317 CCCCCN[C@@H](CO)[C@@H](O)c1ccccc1 b49e978a71146c0ca4cca66e2f3c2e07 [0,2,0,0,0,0|0,0,2]=4 823 B17R1.317 CCCCCN[C@H](CO)[C@H](O)c1ccccc1 1e0d2af50b998dccf7e4d7c3cc173673 [0,2,0,0,0,0|0,0,2]=4 824 B17R1.335 CCCCCNC(COC)Cc1ccccc1 8ee72280df95cd823bd394522735aeba [0,2,0,0,0,0|0,0,2]=4 825 B17R1.335 CCCCCN[C@@H](COC)Cc1ccccc1 5072b1ebc49890f2463c22875d743b58 [0,2,0,0,0,0|0,0,2]=4 826 B17R1.335 CCCCCN[C@H](COC)Cc1ccccc1 ae1ca8b640a0554bd93287134a5df01c [0,2,0,0,0,0|0,0,2]=4 827 B17R1.335 CCCCOCN(CCO)Cc1ccccc1 0bcc3e15985da887c7ae6e7840bde1d2 [0,2,0,0,0,0|1,0,1]=4 828 B17R1.335 CCCOCCN(CCO)Cc1ccccc1 2421ee015e5b980e57bb2def4ad1d698 [0,2,0,0,0,0|1,0,1]=4 829 B17R1.335 CCOCCCN(CCO)Cc1ccccc1 fb09734811561f0164f7469b30df89df [0,2,0,0,0,0|1,0,1]=4 830 B17R1.335 CCSCCCN(CCO)Cc1ccccc1 eb3dd201be86e3d9fd21d2c56c5eb96c [0,2,0,0,0,0|1,0,1]=4 831 B17R1.335 COCCCCN(CCO)Cc1ccccc1 7ffcbd1819a3651ca06d852e068edb55 [0,2,0,0,0,0|1,0,1]=4 832 B17R1.335 COCN(CCCCCO)Cc1ccccc1 418691163b9e55102974903db0c3b271 [0,2,0,0,0,0|1,0,1]=4 833 B17R1.335 OCCCCCN(CCO)Cc1ccccc1 dabf5c0cedb2d4b69619683f00750680 [0,2,0,0,0,0|1,0,1]=4 834 B17R1.1367 CCC(C)CCNC(CO)Cc1ccccc1 733ad855d26b116e37e7465698883a81 [0,2,0,0,0,0|0,0,2]=4 835 B17R1.1367 CCC(C)CCN[C@@H](CO)Cc1ccccc1 1e2f53e06c73587e4b570a8cf6405330 [0,2,0,0,0,0|0,0,2]=4 836 B17R1.1367 CCC(C)CCN[C@H](CO)Cc1ccccc1 6703fbf594910624cb016cda93bb8af2 [0,2,0,0,0,0|0,0,2]=4 837 B17R1.1367 CCC(C)CNCC(CO)Cc1ccccc1 0c326b8c55a265d5012725baf43a9393 [0,2,0,0,0,0|0,0,2]=4 838 B17R1.1367 CCC(O)CNCC(CO)Cc1ccccc1 f4f22630e89e463aeeea2589326bb0c9 [0,2,0,0,0,0|0,0,2]=4 839 B17R1.1367 CC[C@@H](C)CNCC(CO)Cc1ccccc1 91899284e64e2bdbabaedb06fccf00fd [0,2,0,0,0,0|0,0,2]=4 840 B17R1.1367 CC[C@H](C)CNCC(CO)Cc1ccccc1 635669d88d29689f2ecaebb274a6a820 [0,2,0,0,0,0|0,0,2]=4 841 B17R1.1652 CCCC(C)CNC(CO)Cc1ccccc1 3efd8d63f0b7238622afa6cd2ee33118 [0,2,0,0,0,0|0,0,2]=4 842 B17R1.1652 CCCC(C)CN[C@@H](CO)Cc1ccccc1 958e51bd782a7f3689770ee9ad5302b3 [0,2,0,0,0,0|0,0,2]=4 843 B17R1.1652 CCCC(C)CN[C@H](CO)Cc1ccccc1 8e2e68d11c27dbadfaa466a726bf22bf [0,2,0,0,0,0|0,0,2]=4 844 B17R1.2652 CC(C)CCCNC(CO)Cc1ccccc1 4943b0a444fd7c798147a7be2256a4ed [0,2,0,0,0,0|0,0,2]=4 845 B17R1.2652 CC(C)CCCN[C@@H](CO)Cc1ccccc1 e6a5a017a4c9cbcad20ba10e19b0eed4 [0,2,0,0,0,0|0,0,2]=4 846 B17R1.2652 CC(C)CCCN[C@H](CO)Cc1ccccc1 3a41cdf1509d0e84b0cd2620a27c563b [0,2,0,0,0,0|0,0,2]=4 847 B17R1.2652 CC(C)CCNCC(CO)Cc1ccccc1 53a40244c787092f1c9bdbf06d5a2adf [0,2,0,0,0,0|0,0,2]=4 848 B17R1.2652 CC(O)CCCNC(CO)Cc1ccccc1 bc87073b71b49a8430a526da0882b636 [0,2,0,0,0,0|0,0,2]=4 849 B17R1.2652 CC(O)CCCN[C@@H](CO)Cc1ccccc1 bcb5b24294e02acfa16019cd10238ff1 [0,2,0,0,0,0|0,0,2]=4 850 B17R1.2652 CC(O)CCCN[C@H](CO)Cc1ccccc1 0191253f88e714001321351b737bf0bf [0,2,0,0,0,0|0,0,2]=4 851 B17R1.2652 CC(O)CCNCC(CO)Cc1ccccc1 6897ae169c60cc8616dead7705f89d5d [0,2,0,0,0,0|0,0,2]=4 852 B17R1.5129 CCCCCOC(=Cc1ccccc1)C(=O)O 463fe34957ab812635a576ebacc3b077 [0,2,0,0,0,0|0,0,1]=3 853 B17R1.5129 CCOCCOC(=Cc1ccccc1)C(=O)O a6cd24e7d7de6200c24ca6598d45929a [0,2,0,0,0,0|1,0,1]=4 854 B17R1.5129 CCSCCOC(=Cc1ccccc1)C(=O)O 2d14ebf67f56bd06d9b9496514710dd3 [0,2,0,0,0,0|1,0,1]=4 855 B17R1.5129 COCCCOC(=Cc1ccccc1)C(=O)O f0d1e543b70a238bfbc2e4f23166c1c1 [0,2,0,0,0,0|1,0,1]=4 856 B17R1.5129 CSCCCOC(=Cc1ccccc1)C(=O)O 5bedee246de47e6af98184cb0b007426 [0,2,0,0,0,0|1,0,1]=4 857 B17R1.5129 O=C(O)C(=Cc1ccccc1)OCCCCF 26e9ca90cbcc119b7dcfb63179bf163f [0,2,0,0,0,0|1,0,1]=4 858 B17R1.5235 CCCCCNC(CO)Cc1ccccc1C fbb2488a7949377af990ef32f6d89aaf [0,2,0,0,0,0|0,0,2]=4 859 B17R1.5235 CCCCCNC(CO)Cc1ccccc1Cl 4ad656359a2888ca01aa06c257803869 [0,2,0,0,0,0|0,0,2]=4 860 B17R1.5235 CCCCCNC(CO)Cc1ccccc1F 18e2b6ebdadcc0a936cb8b9603e7672b [0,2,0,0,0,0|0,0,2]=4 861 B17R1.5235 CCCCCN[C@H](CO)Cc1ccccc1C d1e8e75bed1b0e10031e7fd00b76c965 [0,2,0,0,0,0|0,0,2]=4 862 B17R1.5235 CCCCCN[C@H](CO)Cc1ccccc1Cl f55de062c18983d2b29b5f9848aa99f6 [0,2,0,0,0,0|0,0,2]=4 863 B17R1.5235 CCCCCN[C@H](CO)Cc1ccccc1F ea19464f0caebcd214cb9b3ba0979b34 [0,2,0,0,0,0|0,0,2]=4 864 B17R1.1952 CCCCCN(CCC)C(=O)c1ccccc1 4533ff429d22b81cad1b456251587cbf [0,2,0,0,0,0|2,0,0]=4 865 B17R1.1952 CCCCCN(CCO)C(=O)c1ccccc1 a32f1de3c5185adfd1fd49e4e432161c [0,2,0,0,0,0|1,0,0]=3 866 B17R1.1952 CCCCCN(CCO)C(=O)c1ccccn1 1a6e49eb382a048f3c2ce73afa8d843e [0,2,0,0,0,0|2,0,0]=4 867 B17R1.1952 CCCCCN(CCO)C(=O)c1cccnc1 328207c7c1c882624796a42ec6e6af97 [0,2,0,0,0,0|2,0,0]=4 868 B17R1.1952 CCCCCN(CCO)C(=O)c1ccncc1 2636bc9a9a1d3e532fc121db6b4195ff [0,2,0,0,0,0|2,0,0]=4 869 B17R1.1952 CCCCCN(CCO)C(C)c1ccccc1 a9cee6509e5481ad53dceea01ee52599 [0,2,0,0,0,0|1,0,1]=4 870 B17R1.1952 CCCCCN(CCO)[C@@H](C)c1ccccc1 bebe3c9ed9584993b18c46ec9658ac35 [0,2,0,0,0,0|1,0,1]=4 871 B17R1.1952 CCCCCN(CCO)[C@H](C)c1ccccc1 a5476ac92b5a1285eb97f56955112f87 [0,2,0,0,0,0|1,0,1]=4 872 B17R1.29060 CCCCCN(C(=O)c1ccccc1)C(C)C 01937104f6b9d1b6a3c60bfdf15edaae [0,2,0,0,0,0|2,0,0]=4 873 B17R1.1941 CCCCCN(Cc1ccccc1)C(=O)CO 231070224bde847a3ada258db0671b3d [0,2,0,0,0,0|1,0,1]=4 874 B17R1.1941 CCCCCN(Cc1ccccc1)C(C)CO 07eb1a815cf69fedd99f7d4fa21691b2 [0,2,0,0,0,0|1,0,1]=4 875 B17R1.1941 CCCCCN(Cc1ccccc1)[C@@H](C)CO 9d49c26701839b989888afb851624eeb [0,2,0,0,0,0|1,0,1]=4 876 B17R1.1941 CCCCCN(Cc1ccccc1)[C@H](C)CO a1e7096aed62426131a9268745d4d3fa [0,2,0,0,0,0|1,0,1]=4 877 B17R1.1943 CCCCCC(CC(=O)O)Nc1ccccc1 8f255841b6f43354c0b00c8fc98d1dcb [0,2,0,0,0,0|1,0,1]=4 878 B17R1.1943 CCCCCN(CC(=O)O)Cc1ccccc1 45dc0857df452dd99324f394f7a63b9a [0,2,0,0,0,0|1,0,1]=4 879 B17R1.3856 CCCCCN(CCO)Cc1ccccc1Br e13787976674ed2eedb086a5c9b46ff8 [0,2,0,0,0,0|1,0,1]=4 880 B17R1.3856 CCCCCN(CCO)Cc1ccccc1C df8dec815b6ed148bf44ae2d3a0422cd [0,2,0,0,0,0|1,0,1]=4 881 B17R1.3856 CCCCCN(CCO)Cc1ccccc1Cl 9e502ee81be3c7774d6210593b0231cd [0,2,0,0,0,0|1,0,1]=4 882 B17R1.3856 CCCCCN(CCO)Cc1ccccc1F e54edf5d0e86e5849948117ef741fe20 [0,2,0,0,0,0|1,0,1]=4 883 B17R1.3856 CCCCCN(CCO)Cc1ccccc1I 553c07f046fffedaa2e61037a5f6e8b7 [0,2,0,0,0,0|1,0,1]=4 884 B17R1.18717 CCC(C)CCN(CCO)Cc1ccccc1 891ccd2591bd30115a95cd1971e9084d [0,2,0,0,0,0|1,0,1]=4 885 B17R1.19358 CC(C)CCCN(CCO)Cc1ccccc1 536f4407f0b2d0ed0bd5c68b245fdbaf [0,2,0,0,0,0|1,0,1]=4 886 B17R1.19358 CC(O)CCCN(CCO)Cc1ccccc1 7591f14b1fd83c3dbfcad5d4e05c5675 [0,2,0,0,0,0|1,0,1]=4 887 B17R1.25044 CCCCC/C(=C/c1ccccc1)/COCC c840acb07247db7a3d6470e8770be250 [0,2,0,0,0,0|0,0,0]=2 888 B17R1.25044 CCCCC/C(=C/c1ccccc1)/COCF 9e0e1c31397e53118808eca976d58a8d [0,2,0,0,0,0|0,0,0]=2 889 B17R1.25044 CCCCC/C(=C\c1ccccc1)/COCC a3ca085c59d23e5934b3e3df0d4c06ac [0,2,0,0,0,0|0,0,0]=2 890 B17R1.25044 CCCCC/C(=C\c1ccccc1)/COCF 5ea6abd8a35a527ad08f8c04e4607ec1 [0,2,0,0,0,0|0,0,0]=2 891 B17R1.25044 CCCCCN(C/C=C\O)Cc1ccccc1 a1a9f266a3eead5b8d909b21334d8f02 [0,2,0,0,0,0|1,0,1]=4 892 B17R1.25044 CCCCCN(CCOC)Cc1ccccc1 b69bce65998aeb84a93b2c2faad6d0f6 [0,2,0,0,0,0|1,0,1]=4 893 B17R1.16300 CC(C)CCOC(=Cc1ccccc1)C(=O)O 5448d59852bd2f6ed8c67943ae351d35 [0,2,0,0,0,0|1,0,1]=4 894 B17R1.24106 CCC(C)COC(=Cc1ccccc1)C(=O)O eb6e8487356ee2c2206115bf99cfc541 [0,2,0,0,0,0|1,0,1]=4 895 B17R1.24106 CC[C@@H](C)COC(=Cc1ccccc1)C(=O)O b317838f219e891877624384286729c9 [0,2,0,0,0,0|1,0,1]=4 896 B17R1.24106 CC[C@H](C)COC(=Cc1ccccc1)C(=O)O 7648835b6d4cf9f1aa998eda3292f9f6 [0,2,0,0,0,0|1,0,1]=4 897 B15R2.15 CCC1CCN(C1)Cc2ccccc2 a7f1c006a369955207fc8b228e8406da [1,0,0,1,0,0|1,0,1]=4 898 B15R2.31 CC1CCCC(C1)Nc2ccccc2 11e12b7381ef61b4b561d22337b940c8 [1,0,0,1,0,0|1,0,1]=4 899 B15R2.31 CC1CCCN(C1)Cc2ccccc2 cdd445e807fcb0554a0565724c5f2f12 [1,0,0,1,0,0|1,0,1]=4 900 B15R2.31 C[C@@H]1CCCN(C1)Cc2ccccc2 52aa413fd57f76bd27ee3260b6b36090 [1,0,0,1,0,0|1,0,1]=4 901 B15R2.31 C[C@@H]1CCC[C@H](C1)Nc2ccccc2 a5487b5c55390ea6d3deec1adaaceba3 [1,0,0,1,0,0|1,0,1]=4 902 B15R2.31 C[C@H]1CCCN(C1)Cc2ccccc2 b65e432ecfc41492d751e4e7e0da2455 [1,0,0,1,0,0|1,0,1]=4 903 B15R2.50 CCCC1CN(C1)Cc2ccccc2 49d16ea1f815b5d5e673abff16ba0330 [1,0,0,1,0,0|1,0,1]=4 904 B15R2.64 CC(Nc1ccccc1)C2CCCC2 a09d97fdb8e34e2697548bc36a0fc96f [1,0,0,1,0,0|1,0,1]=4 905 B15R2.64 CN(Cc1ccccc1)C2CCCC2 e23229e309ac9d1a4520626e47f8e76a [1,0,0,1,0,0|1,0,1]=4 906 B15R2.1256 C/C(=C\c1ccccc1)/COC2CC2 66a4dd03c84aac60eb6b36220aee1e14 [1,0,0,1,0,0|1,0,0]=3 907 B15R2.1256 CN(CCC1CC1)Cc2ccccc2 918eccc11c2d499dd028270f487acbf0 [1,0,0,1,0,0|1,0,1]=4 908 B15R2.1262 CCCCCN1CC1c2ccccc2 3b51669d43f2126aed919e0bfbaad875 [1,0,0,1,0,0|1,0,1]=4 909 B15R2.1262 CCCCCN1C[C@@H]1c2ccccc2 b28f28447ca66053b68f7be114318d19 [1,0,0,1,0,0|1,0,1]=4 910 B15R2.2167 c1ccc(cc1)CN2CCCCCC2 bccd57c54171a601bad0685c08627ec8 [1,0,0,1,0,0|1,0,1]=4 911 B15R2.2203 CCCCCN1Cc2ccccc2C1 b6823b36046cb383bf60bfb7f73f0856 [1,0,0,1,0,0|1,0,1]=4 912 B15R2.2203 CCCCNc1cc2ccccc2o1 08a9c92fa84e33a85f8388114ad5477a [1,0,0,1,0,0|1,0,0]=3 913 B15R2.2203 CCCCNc1cc2ccccc2s1 69887eebc04087237abc5d1df395a67f [1,0,0,1,0,0|1,1,0]=4 914 B15R2.2203 CCCCNc1cc2ncccc2o1 f17e024591e016516fa03378066851f5 [1,0,0,1,0,0|2,0,0]=4 915 B15R2.2203 CCCCNc1nc2ccccc2o1 88a670e7267e97f3ee3d570bdec6bbf7 [1,0,0,1,0,0|2,0,0]=4 916 B15R2.2203 CCCCOc1cc2ccccc2[nH]1 f70e46d1a9452121746c4c962a696b93 [1,0,0,1,0,0|2,0,0]=4 917 B15R2.2203 CCCCOc1cc2ccccc2s1 43783719f5bd603fb64c7b5d04ce7e57 [1,0,0,1,0,0|1,1,0]=4 918 B15R2.2203 CCCNCc1cc2ccccc2[nH]1 ae62b2b1c48930f4f3973136277ce0ef [1,0,0,1,0,0|2,0,0]=4 919 B15R2.2203 CCCNCc1cc2ccccc2o1 0a7e5dd2a850168909fe7b8f9adaeec4 [1,0,0,1,0,0|1,0,0]=3 920 B15R2.2203 CCCNCc1cc2ccccc2s1 816f20b009769d1c41c9fad08eeee882 [1,0,0,1,0,0|1,1,0]=4 921 B15R2.2203 CCCNCc1nc2ccccc2o1 d714d153a2837b9f8cf0acbaafd183aa [1,0,0,1,0,0|2,0,0]=4 922 B15R2.2203 CCCOCc1cc2ccccc2[nH]1 9fe181a9e825e1ef6951ec4c757cff01 [1,0,0,1,0,0|2,0,0]=4 923 B15R2.2203 CCCOCc1cc2ccccc2o1 c87d20d31a4e758fbb7be8065b5086d3 [1,0,0,1,0,0|1,0,0]=3 924 B15R2.2203 CCCOCc1cc2ccccc2s1 ae0ac0772af83c7823ca167b7a2eb4e0 [1,0,0,1,0,0|1,1,0]=4 925 B15R2.2203 CCCOCc1cc2ncccc2o1 d67f35a4850ca2769c1cfec7cf7a30c8 [1,0,0,1,0,0|2,0,0]=4 926 B15R2.2203 CCCOCc1nc2ccccc2o1 a73e60a68708330e8614bd2811be1975 [1,0,0,1,0,0|2,0,0]=4 927 B15R2.2203 CCNCCc1cc2ccccc2[nH]1 a7cf50681dd3ce954d479b0907a97e60 [1,0,0,1,0,0|2,0,0]=4 928 B15R2.2203 CCNCCc1cc2ccccc2s1 3855991be9352339a21a75a59c743957 [1,0,0,1,0,0|1,1,0]=4 929 B15R2.2203 CCOCCc1cc2ccccc2[nH]1 570df05602e54915692f3d1cb951222c [1,0,0,1,0,0|2,0,0]=4 930 B15R2.2203 CCOCCc1cc2ccccc2o1 0fcf42cf93eed0da58899a46e4330d13 [1,0,0,1,0,0|1,0,0]=3 931 B15R2.2203 COCCNc1cc2ccccc2o1 a6c9f8827c056e15cac045f183592685 [1,0,0,1,0,0|2,0,0]=4 932 B15R2.2203 COCNCc1cc2ccccc2o1 9a3d220cd1eb4f486dbd8f05da5c8274 [1,0,0,1,0,0|2,0,0]=4 933 B15R2.2203 COCOCc1cc2ccccc2o1 459f0144b668235102723716e3eac488 [1,0,0,1,0,0|2,0,0]=4 934 B15R2.2203 CSCCNc1cc2ccccc2o1 a4916b1ad3677626dc189dc05dd8afde [1,0,0,1,0,0|2,0,0]=4 935 B15R2.2203 CSCNCc1cc2ccccc2o1 3aeb627c53fb246d991e482ce1a9be31 [1,0,0,1,0,0|2,0,0]=4 936 B15R2.2203 CSCOCc1cc2ccccc2o1 37c886b44f9188757e4c01c9750432ae [1,0,0,1,0,0|2,0,0]=4 937 B15R2.2203 ClCCCNc1cc2ccccc2o1 06c3f96cbbde76222439150ebae35f04 [1,0,0,1,0,0|2,0,0]=4 938 B15R2.2203 FCCNCc1cc2ccccc2o1 0f8cd537db86303badbfbae1ea46319d [1,0,0,1,0,0|2,0,0]=4 939 B15R2.2203 FCCOCc1cc2ccccc2o1 c52fce334e460106ab0a929804c37136 [1,0,0,1,0,0|2,0,0]=4 940 B15R2.2203 FCOCCc1cc2ccccc2o1 c07e9ae4a709d8166de750b873b956a5 [1,0,0,1,0,0|2,0,0]=4 941 B15R2.2203 OCCCNc1cc2ccccc2o1 3ca5ad936b7fd1c05d5e218ba4e75df2 [1,0,0,1,0,0|2,0,0]=4 942 B15R2.2203 OCCNCc1cc2ccccc2o1 154184d3b35c37ba3cdb0d3ee7f2a38d [1,0,0,1,0,0|2,0,0]=4 943 B15R2.2203 SCCNCc1cc2ccccc2o1 2df58a948d23394968dbb0be0b08a747 [1,0,0,1,0,0|2,0,0]=4 944 B15R2.2203 SCCOCc1cc2ccccc2o1 c83fe0b115aec60be18068ab5c7ddc84 [1,0,0,1,0,0|2,0,0]=4 945 B15R2.16446 CN(Cc1ccccc1)CC2CCC2 396726400459bb4ec66126d1e37a1cf0 [1,0,0,1,0,0|1,0,1]=4 946 B15R2.21 OCN1CCCCC1c2ccccc2 52f1ba08cc63dab96b45b5d9439c4f6e [1,0,0,1,0,0|1,0,1]=4 947 B15R2.21 OCN1CCCC[C@@H]1c2ccccc2 910b6c06e42e4c2c803b5a0ce0baaa9d [1,0,0,1,0,0|1,0,1]=4 948 B15R2.21 OCN1CCCC[C@H]1c2ccccc2 2a53325faa250fa61a3601533c2e9e61 [1,0,0,1,0,0|1,0,1]=4 949 B15R2.38 OC1CCCCC1Nc2ccccc2 6f12ec4120f3f028ffb68a127d44bff5 [1,0,0,1,0,0|1,0,1]=4 950 B15R2.38 O[C@@H]1CCCC[C@@H]1Nc2ccccc2 1855f3aad04022dcfb4c9270726c5a65 [1,0,0,1,0,0|1,0,1]=4 951 B15R2.38 O[C@@H]1CCCC[C@H]1Nc2ccccc2 f2ef99f63ac781c073f9d842a27f00d6 [1,0,0,1,0,0|1,0,1]=4 952 B15R2.38 O[C@H]1CCCC[C@@H]1Nc2ccccc2 636488bef164267bc0d83a87e14f7c03 [1,0,0,1,0,0|1,0,1]=4 953 B15R2.17028 OC[C@@H](Nc1ccccc1)C2CCC2 8a34c2edad09b5f748530bcae9f41924 [1,0,0,1,0,0|1,0,1]=4 954 B15R2.17047 OCN(Cc1ccccc1)CC2CC2 da08b5a1b82dac98bd8c092dc5733a33 [1,0,0,1,0,0|1,0,1]=4 955 B15R2.5 CCCCCN1CCc2c1cccc2 68367dd71b9e8896f418a66f2a01178b [0,0,0,1,1,0|2,0,0]=4 956 B15R2.5 CCCCNC1COc2c1cccc2 108878b0e8e081ca910f7a0b75edb0bf [0,0,0,1,1,0|1,0,1]=4 957 B15R2.5 CCCCN[C@@H]1COc2c1cccc2 7c4993503101a265627544e71b428b02 [0,0,0,1,1,0|1,0,1]=4 958 B15R2.5 CCCCN[C@H]1COc2c1cccc2 54a02e5348276f8860846d4350a48498 [0,0,0,1,1,0|1,0,1]=4 959 B15R2.5 CCCCNc1coc2c1cccc2 e2484fc1bf1229c7f28328ebd39f4f3c [0,0,0,1,1,0|1,0,1]=4 960 B15R2.5 CCCCNc1noc2c1cccc2 84390adb6dc5d6932bc3156ef4e5375e [0,0,0,1,1,0|2,0,0]=4 961 B15R2.5 CCCCOC1COc2c1cccc2 ef1e899c10eb0b73f4bd810b2c53738c [0,0,0,1,1,0|1,0,1]=4 962 B15R2.5 CCCCOc1coc2c1cccc2 241dee0374bc12099e9b4dc30a2da479 [0,0,0,1,1,0|1,0,1]=4 963 B15R2.5 CCCCOc1noc2c1cccc2 48d4e5d9972c5852ef0f34df5727e9d5 [0,0,0,1,1,0|2,0,0]=4 964 B15R2.5 CCCNCC1COc2c1cccc2 57740dc686b8c99aaa6c736c6834e3d2 [0,0,0,1,1,0|1,0,1]=4 965 B15R2.5 CCCNCc1coc2c1cccc2 1c1dbd773b18a8318a0185b4a18b1b13 [0,0,0,1,1,0|1,0,1]=4 966 B15R2.5 CCCNCc1noc2c1cccc2 b450e1ddd9a9c851ddc52321bffc88be [0,0,0,1,1,0|2,0,0]=4 967 B15R2.5 CCCOCC1COc2c1cccc2 ec3c04aede43394eaded4fe20ea4ba6a [0,0,0,1,1,0|1,0,1]=4 968 B15R2.5 CCCOCc1coc2c1cccc2 f44a278e24f347251c95a73e7ecf7db3 [0,0,0,1,1,0|1,0,1]=4 969 B15R2.5 CCCOCc1noc2c1cccc2 79e5f693399c384f8070fc623929024a [0,0,0,1,1,0|2,0,0]=4 970 B15R2.5 CCNCCC1COc2c1cccc2 1edf083c6fe64ef07285fbda77dbfc13 [0,0,0,1,1,0|1,0,1]=4 971 B15R2.5 CCNCCc1coc2c1cccc2 98c4885aa160b2e7fd69be7082b5ab6a [0,0,0,1,1,0|1,0,1]=4 972 B15R2.5 CCOCCc1coc2c1cccc2 f1e8775a0f675cf7b58a144161ab284e [0,0,0,1,1,0|1,0,1]=4 973 B15R2.5 CCOCCc1noc2c1cccc2 0f2bc96e629556b51cb346e65d62cb96 [0,0,0,1,1,0|2,0,0]=4 974 B15R2.131 CCN(c1ccccc1)C2CCCC2 b3fcfc5f7325f8853bd09c048e67e5c1 [0,0,0,1,1,0|2,0,0]=4 975 B15R2.131 FCN(c1ccccc1)C2CCCC2 aca352b230e79f194abfbc525f74a7b2 [0,0,0,1,1,0|2,0,0]=4 976 B15R2.131 OCN(c1ccccc1)C2CCCC2 d1bcb042364d91640b8d8fccc1c17052 [0,0,0,1,1,0|1,0,0]=3 977 B15R2.1327 CCN(CCC1CC1)c2ccccc2 6c1cc2edfde4f7dd46da5919794823cf [0,0,0,1,1,0|2,0,0]=4 978 B15R2.1327 OCC(CNC1CC1)c2ccccc2 b451b1462ce0d76ff9e6ba89f642e9b4 [0,0,0,1,1,0|1,0,1]=4 979 B15R2.1327 OCC(NCC1CC1)c2ccccc2 ff09622319f6ad3c7d43892449f5c034 [0,0,0,1,1,0|1,0,1]=4 980 B15R2.1327 OC[C@@H](NCC1CC1)c2ccccc2 4af57b6f02812da41f6485621194662d [0,0,0,1,1,0|1,0,1]=4 981 B15R2.1327 OC[C@H](NCC1CC1)c2ccccc2 4e80cb61f92fc4b59cfb0c5894b8e350 [0,0,0,1,1,0|1,0,1]=4 982 B15R2.1331 CCN(CC1CCC1)c2ccccc2 b2a471e2f0c25cc053352ba9bf477ad8 [0,0,0,1,1,0|2,0,0]=4 983 B15R2.11492 CCCN1CC(c2c1cccc2)CO ca159564624bf279f3a437b7c39a11f9 [0,0,0,1,1,0|1,0,1]=4 984 B15R2.87760 FCN1CCCCCc2c1cccc2 f2a4bc2bdb8e652b64da825271f664f1 [0,0,0,1,1,0|2,0,0]=4 985 B15R2.87760 OCN1CCCCCc2c1cccc2 e4c1ca594d32848b7e4b7c4d2ac9cfb4 [0,0,0,1,1,0|1,0,0]=3 986 B17R2.256 OCC1CCCCCN1Cc2ccccc2 f9864aba85b2ac191415242744d2baca [0,0,0,1,0,1|0,0,2]=4 987 B17R2.268 CCCCNc1cc(on1)c2ccccc2 98a58a216ff978139beb3d441f69141b [0,0,0,1,0,1|2,0,0]=4 988 B17R2.268 CCCCNc1noc(n1)c2ccccc2 9eafa390f94ee3670db56edec1786f5d [0,0,0,1,0,1|2,0,0]=4 989 B17R2.268 CCCNCc1cc(on1)c2ccccc2 9875594c75055604f1553104367359c5 [0,0,0,1,0,1|2,0,0]=4 990 B17R2.268 CCCNCc1coc(n1)c2ccccc2 dc3a35500387a06f2bfce0948f66df79 [0,0,0,1,0,1|1,0,1]=4 991 B17R2.268 CCCOCc1cc(on1)c2ccccc2 8a1a11a0978d7d59ab28193ca18acfdd [0,0,0,1,0,1|2,0,0]=4 992 B17R2.268 CCCOCc1coc(n1)c2ccccc2 d9f50c97c9567f689cbcd85e4e6cbb17 [0,0,0,1,0,1|1,0,1]=4 993 B17R2.268 CCCOCc1noc(n1)c2ccccc2 8c128ed6ca3b92dec1a9d8b5a7d50b82 [0,0,0,1,0,1|2,0,0]=4 994 B17R2.1791 CC1CCCC(N1Cc2ccccc2)CO 850fc0b52deae94e204a2e96e802151c [0,0,0,1,0,1|0,0,2]=4 995 B17R2.3188 OCC(NCc1ccccc1)C2CCCC2 b6968d3e44fc0f05b1341d6ad7633131 [0,0,0,1,0,1|0,0,2]=4 996 B17R2.3188 OCN(CCc1ccccc1)C2CCCC2 a8b9376ed0af2baef9310e176d452fde [0,0,0,1,0,1|1,0,1]=4 997 B17R2.3188 OC[C@@H](NCc1ccccc1)C2CCCC2 b89487b843eccc24dff3d026e68d675b [0,0,0,1,0,1|0,0,2]=4 998 B17R2.3188 OC[C@H](NCc1ccccc1)C2CCCC2 35276c24fbc68f16c7460311e18df608 [0,0,0,1,0,1|0,0,2]=4 999 B17R2.3395 O[C@@H]1CCCCC[C@H]1NCc2ccccc2 529848a7a60631d3a93609f4509b38e3 [0,0,0,1,0,1|0,0,2]=4 1000 B17R2.3395 O[C@H]1CCCCC[C@@H]1NCc2ccccc2 35de0c306d89c3fdce6514982a06b239 [0,0,0,1,0,1|0,0,2]=4 1001 B17R2.3395 O[C@H]1CCCCC[C@H]1NCc2ccccc2 b9605a4e92234cce086a4746641b1cb5 [0,0,0,1,0,1|0,0,2]=4 1002 B17R2.81765 OCC1(CCCCC1)CNc2ccccc2 eadaa0c03202166e445c219cd34edbd6 [0,0,0,1,0,1|0,0,2]=4 1003 B17R2.81765 OCC1(CCCCC1)NCc2ccccc2 ece45e686a71cc8ed3aace8f4430e7f2 [0,0,0,1,0,1|0,0,2]=4 1004 B17R2.105 O[C@H]1CCCCCC[C@@H]1Nc2ccccc2 535dd92acff78ef404f64282afaac0dc [0,1,0,1,0,0|1,0,1]=4 1005 B17R2.162 OCC(Nc1ccccc1)C2CCCCC2 b4289a6e5b29abad882ec37fee280fce [0,1,0,1,0,0|1,0,1]=4 1006 B17R2.162 OCC(Nc1ccccc1)C2CCOCC2 e594b3dddcccc7e79e9b7383f54a3ecf [0,1,0,1,0,0|1,0,1]=4 1007 B17R2.162 OC[C@@H](Nc1ccccc1)C2CCCCC2 ad7dfd21cfa631dd738be936b1a1b46a [0,1,0,1,0,0|1,0,1]=4 1008 B17R2.162 OC[C@H](Nc1ccccc1)C2CCCCC2 79ed20a61fd5d5ad147bd36a46d1d215 [0,1,0,1,0,0|1,0,1]=4 1009 B17R2.190 CCCNc1cc2ccccc2cc1CO a2f44665fc489a5e0f42a8b00e409918 [0,1,0,1,0,0|1,0,1]=4 1010 B17R2.2104 CCCNC(=O)C1=Cc2ccccc2OC1 6c04816b6247972fa0098a49048cbb63 [0,1,0,1,0,0|1,0,1]=4 1011 B17R2.6037 OCN(Cc1ccccc1)[C@@H]2CCC[C@H]2O 66ef516b78cb465a34e6c12e851b31f7 [0,1,0,1,0,0|1,0,1]=4 1012 B17R2.6053 OCC(CC1CCCC1)Nc2ccccc2 8520ed327ffec8d25ee639c462e044af [0,1,0,1,0,0|1,0,1]=4 1013 B17R2.6053 OCN(Cc1ccccc1)CC2CCCO2 8e4052643e9ca131b4a34e67b4273052 [0,1,0,1,0,0|1,0,1]=4 1014 B17R2.1079 Cc1ccc(cc1)C2CCCCCN2CO d95653d28f95c493d57a3c86aee8c59e [0,1,0,1,0,0|1,0,1]=4 1015 B17R2.1079 OCN1CCCCCC1c2ccc(cc2)Cl ff9d18fc8fbd1870b5c6c62e31ee20d1 [0,1,0,1,0,0|1,0,1]=4 1016 B17R2.1079 OCN1CCCCCC1c2ccc(cc2)F b84c7d96efe3f6a6ea6dc5e534922585 [0,1,0,1,0,0|1,0,1]=4 1017 B17R2.6041 Cc1ccc(cc1)NC(CO)C2CCCC2 708b162b06ca8fb9d18a513731892709 [0,1,0,1,0,0|1,0,1]=4 1018 B17R2.6041 Cc1ccc(cc1)N[C@@H](CO)C2CCCC2 0a542c8d8006029cabf376178170ef82 [0,1,0,1,0,0|1,0,1]=4 1019 B17R2.6041 Cc1ccc(cc1)N[C@H](CO)C2CCCC2 967e620e7f195add584230629418cf42 [0,1,0,1,0,0|1,0,1]=4 1020 B17R2.6041 OCC(Nc1ccc(cc1)F)C2CCCC2 dc24410c7ff06f6104b1adbbb9c25a51 [0,1,0,1,0,0|1,0,1]=4 1021 B17R2.6041 OCC(Nc1ccc(cc1)O)C2CCCC2 373d66f064432988926b3c5c1b7e490b [0,1,0,1,0,0|1,0,1]=4 1022 B17R2.6041 OCC(Nc1ccc(cc1)S)C2CCCC2 76952a0836b9fd5024b9f199fe4c25cf [0,1,0,1,0,0|1,0,1]=4 1023 B17R2.6041 OCN(Cc1ccc(cc1)Br)C2CCCC2 a2abe41fa2093fb35bf412c8a707ce34 [0,1,0,1,0,0|1,0,1]=4 1024 B17R2.6041 OCN(Cc1ccc(cc1)Cl)C2CCCC2 dcceb49fe202f3256581efbca28fb655 [0,1,0,1,0,0|1,0,1]=4 1025 B17R2.6041 OCN(Cc1ccc(cc1)F)C2CCCC2 8de0a08e085c2f320d783d7140590abe [0,1,0,1,0,0|1,0,1]=4 1026 B17R2.6041 OC[C@@H](Nc1ccc(cc1)F)C2CCCC2 8eb07eff793aede237ff5dcc6ddbffbc [0,1,0,1,0,0|1,0,1]=4 1027 B17R2.6041 OC[C@@H](Nc1ccc(cc1)O)C2CCCC2 322232bed0f03edb04bcd553a67755c4 [0,1,0,1,0,0|1,0,1]=4 1028 B17R2.6041 OC[C@@H](Nc1ccc(cc1)S)C2CCCC2 879f54eebbb952664507cb24ce81bb8d [0,1,0,1,0,0|1,0,1]=4 1029 B17R2.6041 OC[C@H](Nc1ccc(cc1)F)C2CCCC2 d4fada71e838fb85a12985ca0ebf2c98 [0,1,0,1,0,0|1,0,1]=4 1030 B17R2.6041 OC[C@H](Nc1ccc(cc1)O)C2CCCC2 18eec2ef6d362f441f49774469fde185 [0,1,0,1,0,0|1,0,1]=4 1031 B17R2.6041 OC[C@H](Nc1ccc(cc1)S)C2CCCC2 98e358169fdd1d0a08d947b162c9e26d [0,1,0,1,0,0|1,0,1]=4 1032 B17R2.12731 OCC1(CCCCC1)Nc2ccc(cc2)S dc185174ca58f2258ad6fdcd6314e1b9 [0,1,0,1,0,0|1,0,1]=4 1033 B17R2.56966 O[C@@H]1CCCCC[C@H]1Nc2ccc(cc2)S 9a409b84842ffb54c4e6e1b188216520 [0,1,0,1,0,0|1,0,1]=4 1034 B17R2.56966 O[C@H]1CCCCC[C@@H]1Nc2ccc(cc2)S 51abeaa14efdd03f91b382dcf8cc773f [0,1,0,1,0,0|1,0,1]=4 1035 B17R2.56966 O[C@H]1CCCCC[C@H]1Nc2ccc(cc2)S 03b4707cebaa15b73c6e78e7479250ba [0,1,0,1,0,0|1,0,1]=4 1036 B17R2.255 OCN1CCCCCC1c2cccc(c2)F 36124b253000290b64d6aded08cb194e [0,1,0,1,0,0|1,0,1]=4 1037 B17R2.6045 Cc1cccc(c1)NC(CO)C2CCCC2 4097533765805717e1130dd84770a0ae [0,1,0,1,0,0|1,0,1]=4 1038 B17R2.6045 Cc1cccc(c1)N[C@@H](CO)C2CCCC2 4428aa640390068a351c3e4c02e7b645 [0,1,0,1,0,0|1,0,1]=4 1039 B17R2.6045 Cc1cccc(c1)N[C@H](CO)C2CCCC2 49e43df036355de236cf825f0f78cd05 [0,1,0,1,0,0|1,0,1]=4 1040 B17R2.6045 OCC(Nc1cccc(c1)F)C2CCCC2 18f786b2038ee0aaf4f55c3576bb5421 [0,1,0,1,0,0|1,0,1]=4 1041 B17R2.6045 OCC(Nc1cccc(c1)O)C2CCCC2 1ed42b9ec55eed3a3fa839aae9ab5805 [0,1,0,1,0,0|1,0,1]=4 1042 B17R2.6045 OCC(Nc1cccc(c1)S)C2CCCC2 5c864dd9f5a82d8476ff77630a65562d [0,1,0,1,0,0|1,0,1]=4 1043 B17R2.6045 OCN(Cc1cccc(c1)Br)C2CCCC2 1facaa5d574f7487de3f46c8f53665b3 [0,1,0,1,0,0|1,0,1]=4 1044 B17R2.6045 OCN(Cc1cccc(c1)F)C2CCCC2 25f63ec91f0e25faf8217b9975f1b577 [0,1,0,1,0,0|1,0,1]=4 1045 B17R2.6045 OCN(Cc1cccc(c1)I)C2CCCC2 13db011b675958ee3e069152085fb0a6 [0,1,0,1,0,0|1,0,1]=4 1046 B17R2.6045 OC[C@@H](Nc1cccc(c1)F)C2CCCC2 efe41080765dc9c0a2b28da9436e2795 [0,1,0,1,0,0|1,0,1]=4 1047 B17R2.6045 OC[C@@H](Nc1cccc(c1)O)C2CCCC2 2e648b50d40cf6a2f52e7b3fac0f244d [0,1,0,1,0,0|1,0,1]=4 1048 B17R2.6045 OC[C@@H](Nc1cccc(c1)S)C2CCCC2 83f434e27897376b7bf1d6c7e4f07154 [0,1,0,1,0,0|1,0,1]=4 1049 B17R2.6045 OC[C@H](Nc1cccc(c1)F)C2CCCC2 3d9eb5b85294795fb1a660e9254b7c77 [0,1,0,1,0,0|1,0,1]=4 1050 B17R2.6045 OC[C@H](Nc1cccc(c1)O)C2CCCC2 09b498604a0fe741d5cd35b62d134f40 [0,1,0,1,0,0|1,0,1]=4 1051 B17R2.6045 OC[C@H](Nc1cccc(c1)S)C2CCCC2 6010c166f6cfbbdfcb1590154a64b0b9 [0,1,0,1,0,0|1,0,1]=4 1052 B17R2.19628 Cc1cccc(c1)N[C@@H]2CCCCC[C@@H]2O 2af2ee556d30f6521565c003d8ff5d7b [0,1,0,1,0,0|1,0,1]=4 1053 B17R2.19628 Cc1cccc(c1)N[C@@H]2CCCCC[C@H]2O b2c96781317036dc607628264d17974e [0,1,0,1,0,0|1,0,1]=4 1054 B17R2.19628 Cc1cccc(c1)N[C@H]2CCCCC[C@@H]2O c39498994b0ef17d42852dd64a995c21 [0,1,0,1,0,0|1,0,1]=4 1055 B17R2.1109 CCC1CCN1[C@H](CO)Cc2ccccc2 df691516776cfc13716ddca6e2e4aed0 [0,1,0,1,0,0|0,0,2]=4 1056 B17R2.2277 OCC(Cc1ccccc1)NCC2CCC2 3aba8791bd227a8aca1c22c3edeb6e8b [0,1,0,1,0,0|0,0,2]=4 1057 B17R2.2277 OC[C@@H](Cc1ccccc1)NCC2CCC2 656ee74917d4c76123e7a3b59e653814 [0,1,0,1,0,0|0,0,2]=4 1058 B17R2.2277 OC[C@H](Cc1ccccc1)NCC2CCC2 4e62e0d10f8dc7812eda4c522293ebe1 [0,1,0,1,0,0|0,0,2]=4 1059 B17R2.3299 CCCCCNC1Cc2ccccc2C1O ace083407e3430e6dca06b43b9ec7a89 [0,1,0,1,0,0|0,0,2]=4 1060 B17R2.3299 CCCCCN[C@@H]1Cc2ccccc2[C@@H]1O 0be98821fb05ce47a36c5888f2f65a78 [0,1,0,1,0,0|0,0,2]=4 1061 B17R2.3299 CCCCCN[C@H]1Cc2ccccc2[C@@H]1O 6ebc94ecd7738180ce1d4f6d7c9ed892 [0,1,0,1,0,0|0,0,2]=4 1062 B17R2.3299 CCCCCNc1cc2ccccc2n1C 00a4a1c046ed7b4cc86f1ca1963e79ea [0,1,0,1,0,0|2,0,0]=4 1063 B17R2.3299 CCCCCOc1cc2ccccc2n1C 26bea0916765e458fb3faa09fc030702 [0,1,0,1,0,0|2,0,0]=4 1064 B17R2.3299 CCCCNCc1cc2ccccc2n1C 8c0802e5d0af73f7b9b4403570a0aaa0 [0,1,0,1,0,0|2,0,0]=4 1065 B17R2.3299 CCCCOCc1cc2ccccc2n1C 1ed551a63997a8b72dd7907346a65e90 [0,1,0,1,0,0|2,0,0]=4 1066 B17R2.5747 CCCCCN1c2ccccc2CC1CO 4a39c16dfcaa476b8a7126e41bfc8941 [0,1,0,1,0,0|0,0,2]=4 1067 B17R2.5747 CCCCCN1c2ccccc2C[C@@H]1CO b57b607d73a819b8f8b714ccf4b59817 [0,1,0,1,0,0|0,0,2]=4 1068 B17R2.5747 CCCCCN1c2ccccc2C[C@H]1CO 30e8a1cd95d0bf7cf9c1f01c6d088572 [0,1,0,1,0,0|0,0,2]=4 1069 B17R2.5747 CCCCN[C@H]1c2ccccc2C[C@H]1CO 01054f5cb68490c0650362edcede9637 [0,1,0,1,0,0|0,0,2]=4 1070 B17R2.5747 CCCCNc1c(sc2c1cccc2)CO e9ec605c8111e44400f79e8147529808 [0,1,0,1,0,0|1,0,1]=4 1071 B17R2.5879 C#CCCOCC1=Cc2ccccc2OC1 949a255e2adcf94bd77be810356d8d5f [0,1,0,1,0,0|0,0,2]=4 1072 B17R2.5879 C/C=C/COCC1=Cc2ccccc2OC1 f3834f503652ed7cad3934ad21da3cf7 [0,1,0,1,0,0|0,0,2]=4 1073 B17R2.5879 C/C=C\COCC1=Cc2ccccc2OC1 d34baee6aea83575a944ac9fcadc0d96 [0,1,0,1,0,0|0,0,2]=4 1074 B17R2.5879 C=CCCOCC1=Cc2ccccc2OC1 25acae83efc952ff9ac56cc18a5cff1d [0,1,0,1,0,0|0,0,2]=4 1075 B17R2.5879 CCCCCNC1COc2ccccc2C1 fb3713e28a30a509039ab5cfe1608652 [0,1,0,1,0,0|0,0,2]=4 1076 B17R2.5879 CCCCCN[C@@H]1COc2ccccc2C1 8581ff781de484d6d4e9caeddb285d32 [0,1,0,1,0,0|0,0,2]=4 1077 B17R2.5879 CCCCCN[C@H]1COc2ccccc2C1 6ab7ee5dd5379ade083b64afeac242bf [0,1,0,1,0,0|0,0,2]=4 1078 B17R2.5879 CCCCCNc1cc2ccccc2cn1 3814be52ba5a1951c96016243472307d [0,1,0,1,0,0|2,0,0]=4 1079 B17R2.5879 CCCCCNc1cc2ccccc2nn1 ad2931d5cff75dee26c9066cba685c2c [0,1,0,1,0,0|2,0,0]=4 1080 B17R2.5879 CCCCCNc1ccc2ccccc2c1 b7d63bd4b18903198b6dd765aa3a64fb [0,1,0,1,0,0|1,0,1]=4 1081 B17R2.5879 CCCCCNc1cnc2ccccc2c1 a4ac0ffe23ac9d0afa31505afeb3a891 [0,1,0,1,0,0|1,0,1]=4 1082 B17R2.5879 CCCCCOc1cc2ccccc2cn1 48094e6db1b3f8e15e99a2ae68804490 [0,1,0,1,0,0|2,0,0]=4 1083 B17R2.5879 CCCCCOc1ccc2ccccc2c1 78ec1ebbaa8e0f765c7f0cf43ed5a626 [0,1,0,1,0,0|1,0,1]=4 1084 B17R2.5879 CCCCCOc1cnc2ccccc2c1 8c1e7162b823849817da78bc592c5ca7 [0,1,0,1,0,0|1,0,1]=4 1085 B17R2.5879 CCCCNCC1COc2ccccc2C1 c1ce83cd5aed4ee04ba1e418a8314d8a [0,1,0,1,0,0|0,0,2]=4 1086 B17R2.5879 CCCCNCC1COc2ccccc2O1 6fc87443c09a47bc727dbe984b32d22d [0,1,0,1,0,0|1,0,1]=4 1087 B17R2.5879 CCCCNC[C@@H]1COc2ccccc2O1 6d290ad5b5a8fd6cf7fa4624e44b0427 [0,1,0,1,0,0|1,0,1]=4 1088 B17R2.5879 CCCCNC[C@H]1COc2ccccc2O1 e4a8a9c18528a4c3a6ae20c125afe074 [0,1,0,1,0,0|1,0,1]=4 1089 B17R2.5879 CCCCNCc1cc2ccccc2cn1 423b60d76df56d38f93660468c6350b1 [0,1,0,1,0,0|2,0,0]=4 1090 B17R2.5879 CCCCNCc1ccc2ccccc2c1 050b2005660aa1d3a175504d59c52ce3 [0,1,0,1,0,0|1,0,1]=4 1091 B17R2.5879 CCCCNCc1cnc2ccccc2c1 647f2d21ffa640dda25d209a180b5bf3 [0,1,0,1,0,0|1,0,1]=4 1092 B17R2.5879 CCCCOCC1COc2ccccc2C1 6c761fd396e967b30ac1e3c352401304 [0,1,0,1,0,0|0,0,2]=4 1093 B17R2.5879 CCCCOCC1COc2ccccc2O1 a516f4c40cc5c3be85774b4914b7778e [0,1,0,1,0,0|1,0,1]=4 1094 B17R2.5879 CCCCOC[C@@H]1COc2ccccc2O1 38b2f72ebc5fe790e7b31fcfa6c89990 [0,1,0,1,0,0|1,0,1]=4 1095 B17R2.5879 CCCCOC[C@H]1COc2ccccc2O1 a174f7c5dfbd3fd748c21d1afe6a67de [0,1,0,1,0,0|1,0,1]=4 1096 B17R2.5879 CCCCOCc1cc2ccccc2cn1 79f899c6ac9f14c892bd0773aea47eb2 [0,1,0,1,0,0|2,0,0]=4 1097 B17R2.5879 CCCCOCc1ccc2ccccc2c1 5a90b15dcfce6454cc6974dd861d1fc7 [0,1,0,1,0,0|1,0,1]=4 1098 B17R2.5879 CCCCOCc1cnc2ccccc2c1 e96c0be11abf1b07c6e7556a70610bd1 [0,1,0,1,0,0|1,0,1]=4 1099 B17R2.5879 CCCNCCC1COc2ccccc2O1 3b24ed3bbef3df7d528b5ce926fb1b49 [0,1,0,1,0,0|1,0,1]=4 1100 B17R2.5879 CCCNCCc1ccc2ccccc2c1 9a721e34fcd8bd695cc827fe92fb730d [0,1,0,1,0,0|1,0,1]=4 1101 B17R2.5879 CCCOCCC1COc2ccccc2O1 5b8386efd214ac70001260f2516f6755 [0,1,0,1,0,0|1,0,1]=4 1102 B17R2.5879 CCCOCCc1ccc2ccccc2c1 96248411749f9c84e617e2110025d36f [0,1,0,1,0,0|1,0,1]=4 1103 B17R2.5879 CCNCCCc1ccc2ccccc2c1 f175e09d7aa5919451e0300938a2b15c [0,1,0,1,0,0|1,0,1]=4 1104 B17R2.5879 COCCOCC1=Cc2ccccc2OC1 2791ff93eab7e7576408dea1b5cc3ea0 [0,1,0,1,0,0|1,0,0]=3 1105 B17R2.5879 CSCCOCC1=Cc2ccccc2OC1 e5d04a0d7d2b82ac3bd5f86d8efd81e4 [0,1,0,1,0,0|1,0,0]=3 1106 B17R2.5879 FCCCOCC1=Cc2ccccc2OC1 5e45a4cbeafa4db03e69175503c52a9c [0,1,0,1,0,0|1,0,0]=3 1107 B17R2.5879 N#CCCOCC1=Cc2ccccc2OC1 9b0478cae49295d274b26c6d86813318 [0,1,0,1,0,0|1,0,1]=4 1108 B17R2.5879 O=CCCOCC1=Cc2ccccc2OC1 b1d6731881cde6d7ab4a1eed6d312b2e [0,1,0,1,0,0|1,0,1]=4 1109 B17R2.10212 OCC(CNCC1CC1)Cc2ccccc2 3e52961c0d7d48d23476426189863ebf [0,1,0,1,0,0|0,0,2]=4 1110 B17R2.10212 OCC(Cc1ccccc1)NCCC2CC2 cd2710b59419402905312d71700b26e0 [0,1,0,1,0,0|0,0,2]=4 1111 B17R2.10212 OC[C@@H](Cc1ccccc1)NCCC2CC2 73976a691631430de8e96ee3a1a0a0b1 [0,1,0,1,0,0|0,0,2]=4 1112 B17R2.10212 OC[C@H](Cc1ccccc1)NCCC2CC2 37200e887a5bdac4b7e42b4c28280693 [0,1,0,1,0,0|0,0,2]=4 1113 B17R2.153865 CCCCN1CC(Cc2c1cccc2)CO 8e98faf86d8c3bc16bb8b749b3e71e35 [0,1,0,1,0,0|0,0,2]=4 1114 B17R2.153865 CCCCN1CC(Oc2c1cccc2)CO 64e5a59b5e7866d39b73f04170b52768 [0,1,0,1,0,0|1,0,1]=4 1115 B17R2.153865 CCCNc1cc(cc2c1cccc2)CO a7ec8af4a09768ecdf2bd5f679dbba54 [0,1,0,1,0,0|0,0,2]=4 1116 B17R2.68 CCC1CCN(CC1)C(=O)c2ccccc2 1581eab30dc4c875e07a376ca9d1f874 [0,1,0,1,0,0|2,0,0]=4 1117 B17R2.274 CCCCNc1nonc1c2ccccc2 228547d48a1ac669af667ddd9cf8a501 [0,1,0,1,0,0|2,0,0]=4 1118 B17R2.274 CCCNCc1ncoc1c2ccccc2 31d9ef8201c7887f6c62f14a57b779f3 [0,1,0,1,0,0|1,0,1]=4 1119 B17R2.274 CCCOCc1ncoc1c2ccccc2 5f625fe6cc7203e271a08147950f15c1 [0,1,0,1,0,0|1,0,1]=4 1120 B17R2.2264 O=C(c1ccccc1)N2CCCCCCC2 2f5123d9f8582fad6e960dd65e3f63e9 [0,1,0,1,0,0|2,0,0]=4 1121 B17R2.2298 CCN(C(=O)c1ccccc1)C2CCCC2 603ccd469c69a9432500ba4714fe6652 [0,1,0,1,0,0|2,0,0]=4 1122 B17R2.4553 CCCC1CCN(C1)C(=O)c2ccccc2 6b3e11717ed4ae4aa9e6252526262fd5 [0,1,0,1,0,0|2,0,0]=4 1123 B17R2.4993 CC1CCCCCN1C(=O)c2ccccc2 4013c0d0cc2f2cee8ffd36863af50645 [0,1,0,1,0,0|2,0,0]=4 1124 B17R2.24146 CC1CCCN(CC1)C(=O)c2ccccc2 33eeb64c5739a9b80773dcd8723ad536 [0,1,0,1,0,0|2,0,0]=4 1125 B17R2.29 CC1CCCN(C1CO)Cc2ccccc2 2e57b48337b5854f43ec9d402ea7afcf [0,1,0,1,0,0|1,0,1]=4 1126 B17R2.89 COCN1CCCCCC1c2ccccc2 9196c3bdfa40cf08fd1434e1542ff9eb [0,1,0,1,0,0|1,0,1]=4 1127 B17R2.89 OCCN1CCCCCC1c2ccccc2 94e499623a1652eaf09704b8aaf2d2d6 [0,1,0,1,0,0|1,0,1]=4 1128 B17R2.283 COCN(Cc1ccccc1)C2CCCC2 83d0e47290b7af4c43bcf7d9e1b0ae90 [0,1,0,1,0,0|1,0,1]=4 1129 B17R2.283 OCCC(Nc1ccccc1)C2CCCC2 c7f028d8a0b19bda9f6275faa67b6d73 [0,1,0,1,0,0|1,0,1]=4 1130 B17R2.283 OCCN(Cc1ccccc1)C2CCCC2 18ae8cb52b038efdf18e26aea6a824f0 [0,1,0,1,0,0|1,0,1]=4 1131 B17R2.2024 CCCCCN1CCOc2ccccc2C1 8b22bac9a45721b4feb0dfbd5681ecc0 [0,1,0,1,0,0|1,0,1]=4 1132 B17R2.2182 OCCN(CCC1CC1)Cc2ccccc2 49763ad9bb01d302eac298c972ae39fd [0,1,0,1,0,0|1,0,1]=4 1133 B17R2.12072 CCCCCN1Cc2ccccc2C(C1)O 647b25c3f15160873f1ddf12f3d0b09d [0,1,0,1,0,0|1,0,1]=4 1134 B17R2.12072 CCCCNc1cc(c2ccccc2c1)O 11f5164714378ace56b173c8f59cbe7e [0,1,0,1,0,0|1,0,1]=4 1135 B17R2.12117 CCCCCN1Cc2ccccc2C1CO 8c1a94a63fe3a3d1337359996cad2ffc [0,1,0,1,0,0|1,0,1]=4 1136 B17R2.75314 COCN(Cc1ccccc1)CC2CCC2 bef1a43d223d79ef49ab3c8b6f621f23 [0,1,0,1,0,0|1,0,1]=4 1137 B17R2.75314 OCCN(Cc1ccccc1)CC2CCC2 f74292df9141e3ef9b95117d18b447ad [0,1,0,1,0,0|1,0,1]=4 1138 B17R2.12116 CCCCNc1cc2ccccc2oc1=O e82d28b07d29224c663b3890a8aa0dec [0,1,0,1,0,0|1,0,1]=4 1139 B17R2.12116 CCCCOc1cc2ccccc2oc1=O feda1d99f87bf57f4cd0ecc08b7e1dab [0,1,0,1,0,0|1,0,1]=4 1140 B17R2.21292 O=C(O)C(=Cc1ccccc1)OCC2CC2 d7ebaea622e0512414c46dfa974b3527 [0,1,0,1,0,0|1,0,1]=4 1141 B17R2.159069 O=C(O)C(=Cc1ccccc1)OC2CCC2 a1197b144f1551c20ff90087631ec068 [0,1,0,1,0,0|1,0,1]=4 1142 B17R2.5669 CC(C)COCC1=Cc2ccccc2OC1 36213e5258c585cddcc08f0a35d3c8b6 [0,1,0,1,0,0|1,0,0]=3 1143 B17R2.5669 FC(F)COCC1=Cc2ccccc2OC1 5c7c52b4ca1c39f5a5cd2b3b9b02881a [0,1,0,1,0,0|2,0,0]=4 1144 B17R2.6052 Cc1ccccc1NC(CO)C2CCCC2 a75b574c53b74318f9b8c3bf564d53f9 [0,1,0,1,0,0|1,0,1]=4 1145 B17R2.6052 Cc1ccccc1N[C@@H](CO)C2CCCC2 d0274f5add95bc151ac82b81164042e1 [0,1,0,1,0,0|1,0,1]=4 1146 B17R2.6052 Cc1ccccc1N[C@H](CO)C2CCCC2 7d951e240b7979587b3332c8b619538f [0,1,0,1,0,0|1,0,1]=4 1147 B17R2.6052 OCC(Nc1ccccc1F)C2CCCC2 a06078ab7c7dce80b934aa746c449f2e [0,1,0,1,0,0|1,0,1]=4 1148 B17R2.6052 OCC(Nc1ccccc1S)C2CCCC2 079bf09eb60d38c8e7cdb1669cc45ba3 [0,1,0,1,0,0|1,0,1]=4 1149 B17R2.6052 OCN(Cc1ccccc1F)C2CCCC2 b84b7b04a3c04d4d60817b795bb5b264 [0,1,0,1,0,0|1,0,1]=4 1150 B17R2.6052 OC[C@@H](Nc1ccccc1F)C2CCCC2 0f4a03f882a18fa5c2bf2b9b0c38d63b [0,1,0,1,0,0|1,0,1]=4 1151 B17R2.6052 OC[C@@H](Nc1ccccc1S)C2CCCC2 9922a444cfd05ba5a805a987c3ec3ef2 [0,1,0,1,0,0|1,0,1]=4 1152 B17R2.6052 OC[C@H](Nc1ccccc1F)C2CCCC2 d323bd83379d24315624a823c6316c8c [0,1,0,1,0,0|1,0,1]=4 1153 B17R2.6052 OC[C@H](Nc1ccccc1S)C2CCCC2 967d2f4a6aee168c73c5963f59471175 [0,1,0,1,0,0|1,0,1]=4 1154 B17R2.106317 Cc1ccccc1NC2(CCCCC2)CO ab82d364259eac66908c4dfa212cdcfd [0,1,0,1,0,0|1,0,1]=4 1155 B17R2.556 CCC(C)OCC1=Cc2ccccc2OC1 54cfd7f5b1afaa1bfc7acf1b687c3acc [0,1,0,1,0,0|1,0,0]=3 1156 B17R3.120929 c1ccc(cc1)NC2CCC3(CC3)OC2 e866b5fc4bcf887adb4308e63b1511e6 [0,0,0,2,0,0|1,0,1]=4 1157 B17R3.648661 C1=C(COc2c1cccc2)COC3CC3 9e5ef7bebf3d713a32d8dc77bf670826 [0,0,0,2,0,0|1,0,0]=3 1158 B13R1.24 C=C(COCCC)c1ccccc1 f6317ef758d7b96aae38d82e773caa14 [1,0,0,0,1,0|1,0,1]=4 1159 B13R1.24 CCCCCN(C)c1ccccc1 8e838ed249d36a49c1970673664302dd [1,0,0,0,1,0|1,0,0]=3 1160 B13R1.24 CCCCCN(C)c1cccnc1 52aa3b2b426ab5dc59b65dd5a6c8ddc9 [1,0,0,0,1,0|2,0,0]=4 1161 B13R1.24 CCCCNC(=O)c1ccccc1 99aac20acff97b38b71835a38991434c [1,0,0,0,1,0|1,0,1]=4 1162 B13R1.24 CCCCNC(C)c1ccccc1 ba9da65c92ba7fc468e0c4b78ba99ccc [1,0,0,0,1,0|1,0,1]=4 1163 B13R1.24 CCCCN[C@@H](C)c1ccccc1 57b5e3ebff75ef31a64a222a6226a276 [1,0,0,0,1,0|1,0,1]=4 1164 B13R1.24 CCCCN[C@H](C)c1ccccc1 24dfb549a40c55400336ed3b2bc45c90 [1,0,0,0,1,0|1,0,1]=4 1165 B13R1.24 CCCCOC(C)c1ccccc1 116618646832f472e55dfbe2113618bc [1,0,0,0,1,0|1,0,1]=4 1166 B13R1.24 CCCCO[C@@H](C)c1ccccc1 93a610cc42c8d64b3ebf86e26c026ac9 [1,0,0,0,1,0|1,0,1]=4 1167 B13R1.24 CCCCO[C@H](C)c1ccccc1 11ad6d63bfec5cb3281b9eb95b5e04f0 [1,0,0,0,1,0|1,0,1]=4 1168 B13R1.24 CCCNCC(=O)c1ccccc1 48fbf30db6382cb4b2aad3c23f152050 [1,0,0,0,1,0|1,0,1]=4 1169 B13R1.24 CCCNCC(C)c1ccccc1 5b9cbaa046214e464daaab40bbcd3312 [1,0,0,0,1,0|1,0,1]=4 1170 B13R1.24 CCCNCC(O)c1ccccc1 d38eaae1b19c710adc21500685b8cd9a [1,0,0,0,1,0|1,0,1]=4 1171 B13R1.24 CCCNC[C@@H](C)c1ccccc1 2308071747b02f56b924597b3ca017fa [1,0,0,0,1,0|1,0,1]=4 1172 B13R1.24 CCCNC[C@@H](O)c1ccccc1 ba1c94e938904bb5f8f256428bfd49c0 [1,0,0,0,1,0|1,0,1]=4 1173 B13R1.24 CCCNC[C@H](C)c1ccccc1 a93645e2df2d6a08f03c1dad967aea05 [1,0,0,0,1,0|1,0,1]=4 1174 B13R1.24 CCCNC[C@H](O)c1ccccc1 100bd33b1479296525e93adedc4476d6 [1,0,0,0,1,0|1,0,1]=4 1175 B13R1.24 CCCOCC(=O)c1ccccc1 fafbf9582888297afc92283765371327 [1,0,0,0,1,0|1,0,1]=4 1176 B13R1.24 CCCOCC(C)c1ccccc1 e679fb9dffb2d4c68eea61790de794fe [1,0,0,0,1,0|1,0,1]=4 1177 B13R1.24 CCCOC[C@@H](C)c1ccccc1 8177c97a0f970e08f4bd9fbe91982acc [1,0,0,0,1,0|1,0,1]=4 1178 B13R1.24 CCCOC[C@H](C)c1ccccc1 5d43a358407c1950ccdd8a99e845d676 [1,0,0,0,1,0|1,0,1]=4 1179 B13R1.24 CCNCCC(C)c1ccccc1 ed81c2bb78ca6182229e1ff90805d458 [1,0,0,0,1,0|1,0,1]=4 1180 B13R1.24 CCNCCC(O)c1ccccc1 999492f51f98f44134773ecaec349081 [1,0,0,0,1,0|1,0,1]=4 1181 B13R1.24 CCNCCN(C)c1ccccc1 30082bd21898abd739be951c6494ea16 [1,0,0,0,1,0|2,0,0]=4 1182 B13R1.24 CCNCC[C@@H](O)c1ccccc1 eea91830cc140499ddf8fc516d41f951 [1,0,0,0,1,0|1,0,1]=4 1183 B13R1.24 CCNCC[C@H](O)c1ccccc1 2589a73e054dbd92a4efc9e5ec82be1a [1,0,0,0,1,0|1,0,1]=4 1184 B13R1.24 CCOCCC(=O)c1ccccc1 a6e0d6be21888dbba948192f59c92561 [1,0,0,0,1,0|1,0,1]=4 1185 B13R1.24 CCOCCC(C)c1ccccc1 b507e430268e133923b92502bce58be6 [1,0,0,0,1,0|1,0,1]=4 1186 B13R1.24 CCOCCN(C)c1ccccc1 0a1308e941e0232d05dad64ad4cdf881 [1,0,0,0,1,0|2,0,0]=4 1187 B13R1.24 CCSCCN(C)c1ccccc1 b7c1c42a1a90a76678554e8a18cc2f8f [1,0,0,0,1,0|2,0,0]=4 1188 B13R1.24 CN(CCCCO)c1ccccc1 b512e8c8c040f0a54f14a1fff20a083f [1,0,0,0,1,0|2,0,0]=4 1189 B13R1.24 COCCCN(C)c1ccccc1 5f73e2a28bb1582889cb04a4d73a5118 [1,0,0,0,1,0|2,0,0]=4 1190 B13R1.24 CSCCCN(C)c1ccccc1 70a4ea61a5f22a45c1f81f730e05ad5f [1,0,0,0,1,0|2,0,0]=4 1191 B13R1.26 CCCCN(CF)c1ccccc1 4f220eafb9855256bba452cfb2d0b92c [1,0,0,0,1,0|2,0,0]=4 1192 B13R1.26 CCCNC(CO)c1ccccc1 117ad37e3d581441e43789c848e8c34d [1,0,0,0,1,0|1,0,1]=4 1193 B13R1.26 CCCN[C@@H](CO)c1ccccc1 b58d20706c65aab2d0af6149b8724974 [1,0,0,0,1,0|1,0,1]=4 1194 B13R1.26 CCCN[C@H](CO)c1ccccc1 da6248e2b95c39b8cd16562af1391178 [1,0,0,0,1,0|1,0,1]=4 1195 B13R1.26 CCNCC(CO)c1ccccc1 08e41d1a29205978ead522b72d7c83cc [1,0,0,0,1,0|1,0,1]=4 1196 B13R1.26 COCCN(CO)c1ccccc1 77578480d155673fd3238f38fc9c6cfd [1,0,0,0,1,0|2,0,0]=4 1197 B13R1.26 OCCCN(CO)c1ccccc1 dadc9bdd884d179fa4ba09aa46ffe0a9 [1,0,0,0,1,0|2,0,0]=4 1198 B15R1.78 CCCCCC(=O)NCc1ccccc1 311f9b3c1707a684e6887605c49749e1 [1,0,0,0,0,1|0,0,2]=4 1199 B15R1.78 CCCCCC(C)NCc1ccccc1 9f8d1d82eab10443e7932883a7d2cadc [1,0,0,0,0,1|0,0,2]=4 1200 B15R1.78 CCCCCC(C)OCc1ccccc1 164aa4be4da51dc2e4ef365a91c6b94d [1,0,0,0,0,1|0,0,2]=4 1201 B15R1.78 CCCCCN(C)CCc1ccccc1 6bb57bb31164e0cc9d407fda89cb9d12 [1,0,0,0,0,1|1,0,1]=4 1202 B15R1.78 CCCCC[C@@H](C)OCc1ccccc1 28d35c123f9c07a0854e11cb42839d05 [1,0,0,0,0,1|0,0,2]=4 1203 B15R1.78 CCCCC[C@H](C)NCc1ccccc1 8e19ea4dcfd8debfe9064dc2a14ea8ad [1,0,0,0,0,1|0,0,2]=4 1204 B15R1.78 CCCCC[C@H](C)OCc1ccccc1 e7a1be92c819339ca26afd4d6cce71fd [1,0,0,0,0,1|0,0,2]=4 1205 B15R1.78 CCCCNC(=O)/C=C/c1ccccc1 1b53305f278c760c1966d93903e055ea [1,0,0,0,0,1|1,0,1]=4 1206 B15R1.78 CCCCNC(=O)C=Cc1ccccc1 e2ed301cdf179cd4ab3137a5f14b1b43 [1,0,0,0,0,1|1,0,1]=4 1207 B15R1.78 CCCCO[C@@H](C)/C=C/c1ccccc1 bb10ab03295069e50e41ba757799a637 [1,0,0,0,0,1|1,0,1]=4 1208 B15R1.78 CCCCO[C@H](C)/C=C/c1ccccc1 bf0a5a3276a8d5b284903e9c461b6df5 [1,0,0,0,0,1|1,0,1]=4 1209 B15R1.3921 CCCCC(CO)NCc1ccccc1 49484ac4b03f6e725f5c2b423e842fac [1,0,0,0,0,1|0,0,2]=4 1210 B15R1.3921 CCCC[C@@H](CO)NCc1ccccc1 db5c192994e25b11aa752cc1e17a820f [1,0,0,0,0,1|0,0,2]=4 1211 B15R1.3921 CCCC[C@H](CO)NCc1ccccc1 1fbdc3e66e054ae7664f7ff446f92956 [1,0,0,0,0,1|0,0,2]=4