0 B16R2.25778 CC1CCCC(C1NCc2ccoc2)C 269862a_100015206860_100000211995 [1,0,1,0,0,0|1,0,0]=3 1 B16R2.25778 CC1CCCC(C1NCc2ccon2)C 269862a_100000688301_100000211995 [1,0,1,0,0,0|2,0,0]=4 2 B16R2.25778 CC1CCCC(C1NCc2ccsc2)C 269862a_100000186416_100000211995 [1,0,1,0,0,0|1,1,0]=4 3 B16R2.25778 CC1CCCC(C1NCc2cnoc2)C 269862a_100016995009_100000211995 [1,0,1,0,0,0|2,0,0]=4 4 B16R2.25778 CC1CCCC(C1NCc2cocn2)C 269862a_100015188801_100000211995 [1,0,1,0,0,0|2,0,0]=4 5 B16R2.25778 CC1CCCC(C1OCc2ccon2)C 34a_100011218088_100000234950 [1,0,1,0,0,0|2,0,0]=4 6 B16R2.25778 CC1CCCC(C1OCc2ccon2)C 7a_100011218088_100000234950 [1,0,1,0,0,0|2,0,0]=4 7 B16R2.25778 CC1CCCC(C1OCc2ccsc2)C 34a_100011218088_100011261437 [1,0,1,0,0,0|1,1,0]=4 8 B16R2.25778 CC1CCCC(C1OCc2ccsc2)C 7a_100011218088_100011261437 [1,0,1,0,0,0|1,1,0]=4 9 B16R2.97378 CC1(CCCCC1NCc2ccoc2)C 269862a_100015206860_100000031690 [1,0,1,0,0,0|1,0,0]=3 10 B16R2.97378 CC1(CCCCC1NCc2ccon2)C 269862a_100000688301_100000031690 [1,0,1,0,0,0|2,0,0]=4 11 B16R2.97378 CC1(CCCCC1NCc2ccsc2)C 269862a_100000186416_100000031690 [1,0,1,0,0,0|1,1,0]=4 12 B16R2.97378 CC1(CCCCC1NCc2cnoc2)C 269862a_100016995009_100000031690 [1,0,1,0,0,0|2,0,0]=4 13 B16R2.97378 CC1(CCCCC1NCc2cocn2)C 269862a_100015188801_100000031690 [1,0,1,0,0,0|2,0,0]=4 14 B16R2.97378 CC1(CNCCC1NCc2ccoc2)C 269862a_100015206860_100015191249 [1,0,1,0,0,0|2,0,0]=4 15 B16R1.4786 CCCC(C)C(OCc1ccon1)C(C)C 34a_200011290769_100000234950 [0,0,2,0,0,0|2,0,0]=4 16 B16R1.4786 CCCC(C)C(OCc1ccon1)C(C)C 7a_200011290769_100000234950 [0,0,2,0,0,0|2,0,0]=4 17 B16R1.4786 CCCC(C)C(OCc1ccsc1)C(C)C 34a_200011290769_100011261437 [0,0,2,0,0,0|1,1,0]=4 18 B16R1.4786 CCCC(C)C(OCc1ccsc1)C(C)C 7a_200011290769_100011261437 [0,0,2,0,0,0|1,1,0]=4 19 B16R1.12527 CC(C)CCCC(C)CCOc1ccsc1 34a_100000106738_100009816328 [0,0,2,0,0,0|1,1,0]=4 20 B16R1.12527 CC(C)CCCC(C)CCOc1ccsc1 7a_100000106738_100009816328 [0,0,2,0,0,0|1,1,0]=4 21 B16R1.12527 CC(C)CCCC(C)CCSc1ccoc1 62a_100009816328_100011215275 [0,0,2,0,0,0|1,0,0]=3 22 B16R1.12527 CC(C)CCCC(C)CCSc1ccoc1 62a_100011215275_100009816328 [0,0,2,0,0,0|1,0,0]=3 23 B16R1.12527 CC(C)CCCC(C)CCSc1ccon1 62a_100009816328_100009818083 [0,0,2,0,0,0|2,0,0]=4 24 B16R1.12527 CC(C)CCCC(C)CCSc1ccon1 62a_100009818083_100009816328 [0,0,2,0,0,0|2,0,0]=4 25 B16R1.12527 CC(C)CCCC(C)CCSc1ccsc1 62a_100000738268_100009816328 [0,0,2,0,0,0|1,1,0]=4 26 B16R1.12527 CC(C)CCCC(C)CCSc1ccsc1 62a_100009816328_100000738268 [0,0,2,0,0,0|1,1,0]=4 27 B16R1.12527 CC(C)CCCC(C)CCSc1cnoc1 62a_100009815712_100009816328 [0,0,2,0,0,0|2,0,0]=4 28 B16R1.12527 CC(C)CCCC(C)CCSc1cnoc1 62a_100009816328_100009815712 [0,0,2,0,0,0|2,0,0]=4 29 B16R1.12527 CC(C)CCCC(C)NCCc1ccsc1 270004a_100000692642_100000753411 [0,0,2,0,0,0|1,1,0]=4 30 B18R2.554229 CC(C)CCOC1(CCCc2c1cccc2)C 34a_200011345745_100000210312 [0,0,1,0,0,1|2,0,0]=4 31 B18R2.554229 CC(C)CCOC1(CCCc2c1cccc2)C 7a_200011345745_100000210626 [0,0,1,0,0,1|2,0,0]=4 32 B15R1.9170 CCCCC(NCc1ccoc1)C(C)C 270004a_100015206860_200011215219 [1,0,2,0,0,0|1,0,0]=4 33 B15R1.489 CC(C)CCCCCNCc1ccoc1 207a_100011290863_100011215517 [1,0,2,0,0,0|1,0,0]=4 34 B15R1.489 CC(C)CCCCCNCc1ccoc1 2230a_100015206860_100000210682 [1,0,2,0,0,0|1,0,0]=4 35 B15R1.489 CC(C)CCCCCNCc1ccoc1 270004a_100011290863_100011215517 [1,0,2,0,0,0|1,0,0]=4 36 B15R1.489 CC(C)CCCCCNCc1ccoc1 34a_100015206860_100000210682 [1,0,2,0,0,0|1,0,0]=4 37 B15R1.489 CC(C)CCCCCOCc1ccoc1 34a_100011215357_100000210682 [1,0,2,0,0,0|1,0,0]=4 38 B15R2.562 CC1CCCCC1NCc2ccoc2 207a_100000211402_100011215517 [2,0,1,0,0,0|1,0,0]=4 39 B15R2.562 CC1CCCCC1NCc2ccoc2 269862a_100015206860_100000210921 [2,0,1,0,0,0|1,0,0]=4 40 B15R2.562 CC1CCCCC1NCc2ccoc2 270004a_100000211402_100011215517 [2,0,1,0,0,0|1,0,0]=4 41 B15R2.562 CC1CCCCC1NCc2ccoc2 270004a_100015206860_100000210921 [2,0,1,0,0,0|1,0,0]=4 42 B17R2.41794 CC(NC1C(CCCC1C)C)c2ccoc2 269862a_100000690049_100000211995 [1,1,1,0,0,0|1,0,0]=4 43 B17R2.41886 CC1CCCC(C1N(C)Cc2ccoc2)C 270004a_200000753723_100011215517 [1,1,1,0,0,0|1,0,0]=4 44 B17R2.5723 CC(NC1CCCCC1(C)C)c2ccoc2 269862a_100000690049_100000031690 [1,1,1,0,0,0|1,0,0]=4 45 B17R2.42580 CC(C)[C@H]1CC[C@@H](C[C@@H]1Sc2ccoc2)C 62a_100011215275_200009893639 [0,0,2,1,0,0|1,0,0]=4 46 B17R2.42580 CC(C)[C@H]1CC[C@@H](C[C@@H]1Sc2ccoc2)C 62a_200009893639_100011215275 [0,0,2,1,0,0|1,0,0]=4 47 B17R2.19078 CC(NC1CC(CC1C)(C)C)c2ccoc2 270004a_100000690049_100000720090 [0,0,2,1,0,0|1,0,0]=4 48 B17R2.45644 CC(NC1CCCC(C1)(C)C)c2ccoc2 270004a_100000690049_100000031663 [0,0,2,1,0,0|1,0,0]=4 49 B15R1.503 CC(C)CCCC(C)NCc1ccoc1 207a_100000210607_100011215517 [0,0,2,0,1,0|1,0,0]=4 50 B15R1.503 CC(C)CCCC(C)NCc1ccoc1 270004a_100000210607_100011215517 [0,0,2,0,1,0|1,0,0]=4 51 B15R1.503 CC(C)CCCC(C)NCc1ccoc1 270004a_100015206860_100000753411 [0,0,2,0,1,0|1,0,0]=4 52 B15R2.49295 CC1(CCCC1NCc2ccoc2)C 269862a_100015206860_100000065263 [1,0,1,0,1,0|1,0,0]=4 53 B17R1.16379 CC(C)CCCC(C)CCNCc1ccoc1 207a_102516457229_100011215517 [0,0,2,0,0,1|0,0,0]=3 54 B17R1.16379 CC(C)CCCC(C)CCNCc1ccoc1 2230a_100015206860_100009816328 [0,0,2,0,0,1|0,0,0]=3 55 B17R1.16379 CC(C)CCCC(C)CCNCc1ccoc1 270004a_102516457229_100011215517 [0,0,2,0,0,1|0,0,0]=3 56 B17R1.16379 CC(C)CCCC(C)CCNCc1ccoc1 34a_100015206860_100009816328 [0,0,2,0,0,1|0,0,0]=3 57 B17R1.16379 CC(C)CCCC(C)CCNCc1ccon1 2230a_102516457229_100000234950 [0,0,2,0,0,1|1,0,0]=4 58 B17R1.16379 CC(C)CCCC(C)CCNCc1ccsc1 207a_102516457229_100000188534 [0,0,2,0,0,1|0,1,0]=4 59 B17R1.16379 CC(C)CCCC(C)CCNCc1ccsc1 2230a_100000186416_100009816328 [0,0,2,0,0,1|0,1,0]=4 60 B17R1.16379 CC(C)CCCC(C)CCNCc1ccsc1 2230a_102516457229_100011261437 [0,0,2,0,0,1|0,1,0]=4 61 B17R1.16379 CC(C)CCCC(C)CCNCc1ccsc1 270004a_102516457229_100000188534 [0,0,2,0,0,1|0,1,0]=4 62 B17R1.16379 CC(C)CCCC(C)CCNCc1ccsc1 34a_100000186416_100009816328 [0,0,2,0,0,1|0,1,0]=4 63 B17R1.16379 CC(C)CCCC(C)CCNCc1cocn1 270004a_102516457229_100000050382 [0,0,2,0,0,1|1,0,0]=4 64 B17R1.16379 CC(C)CCCC(C)CCOCc1ccoc1 34a_100011215357_100009816328 [0,0,2,0,0,1|0,0,0]=3 65 B17R1.16379 CC(C)CCCC(C)CCOCc1ccon1 34a_100000015991_100000234950 [0,0,2,0,0,1|1,0,0]=4 66 B17R1.16379 CC(C)CCCC(C)CCOCc1ccon1 7a_100000015991_100000234950 [0,0,2,0,0,1|1,0,0]=4 67 B17R1.16379 CC(C)CCCC(C)CCOCc1ccsc1 34a_100000015991_100011261437 [0,0,2,0,0,1|0,1,0]=4 68 B17R1.16379 CC(C)CCCC(C)CCOCc1ccsc1 34a_100011215551_100009816328 [0,0,2,0,0,1|0,1,0]=4 69 B17R1.16379 CC(C)CCCC(C)CCOCc1ccsc1 7a_100000015991_100011261437 [0,0,2,0,0,1|0,1,0]=4 70 B17R1.16379 CC(C)CCCC(C)CCSCc1ccon1 62a_100000234950_100009816328 [0,0,2,0,0,1|1,0,0]=4 71 B17R1.16379 CC(C)CCCC(C)CCSCc1ccon1 62a_100009816328_100000234950 [0,0,2,0,0,1|1,0,0]=4 72 B17R1.16379 CC(C)CCCC(C)CCSCc1ccsc1 62a_100009816328_100011233845 [0,0,2,0,0,1|0,1,0]=4 73 B17R1.16379 CC(C)CCCC(C)CCSCc1ccsc1 62a_100011261437_100009816328 [0,0,2,0,0,1|0,1,0]=4 74 B17R2.41802 CC1CCCC(C1NCCc2ccsc2)C 269862a_100000692642_100000211995 [1,0,1,0,0,1|0,1,0]=4 75 B17R2.167432 CC1(CCCCC1NCCc2ccsc2)C 269862a_100000692642_100000031690 [1,0,1,0,0,1|0,1,0]=4 76 B19R2.1020270 CC(C)CCCOC1(CCCc2c1cccc2)C 34a_200011345745_100011214892 [0,0,1,0,0,2|1,0,0]=4 77 B19R2.1020270 CC(C)CCCOC1(CCCc2c1cccc2)C 7a_200011345745_100011214892 [0,0,1,0,0,2|1,0,0]=4