0 B21R3.9913503 C=C(C)CCNC1c2ccccc2-c3c1cccc3 2230a_100000104097_100000730704 [0,0,0,0,0,0|4,0,0]=4 1 B21R3.9913503 C=C(C)CCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100000730704 [0,0,0,0,0,0|4,0,0]=4 2 B21R3.9913503 C=C(C)CNCC1c2ccccc2-c3c1cccc3 2230a_100016995487_100000748629 [0,0,0,0,0,0|4,0,0]=4 3 B21R3.9913503 C=C(C)CNCC1c2ccccc2-c3c1cccc3 34a_100016995487_100000748629 [0,0,0,0,0,0|4,0,0]=4 4 B21R3.9913503 C=C(C)COCC1c2ccccc2-c3c1cccc3 34a_100011215202_100000748629 [0,0,0,0,0,0|4,0,0]=4 5 B21R3.9913503 C=C(C)COCC1c2ccccc2-c3c1cccc3 7a_100011215202_100000748629 [0,0,0,0,0,0|4,0,0]=4 6 B21R3.9913503 C=C(F)CNCC1c2ccccc2-c3c1cccc3 2230a_100016995487_100009893438 [0,0,0,0,0,0|4,0,0]=4 7 B21R3.9913503 C=C(F)CNCC1c2ccccc2-c3c1cccc3 34a_100016995487_100009893438 [0,0,0,0,0,0|4,0,0]=4 8 B21R3.9913503 C=C(F)COCC1c2ccccc2-c3c1cccc3 34a_100011215202_100009893438 [0,0,0,0,0,0|4,0,0]=4 9 B21R3.9913503 C=C(F)COCC1c2ccccc2-c3c1cccc3 7a_100011215202_100000042424 [0,0,0,0,0,0|4,0,0]=4 10 B21R3.9913503 CC(=O)CCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100000053229 [0,0,0,0,0,0|3,0,0]=3 11 B21R3.9913503 CC(=O)CCOC1c2ccccc2-c3c1cccc3 7a_100000759926_100000211598 [0,0,0,0,0,0|3,0,0]=3 12 B21R3.9913503 CC(=O)CCSC1c2ccccc2-c3c1cccc3 62a_100000211598_100000053229 [0,0,0,0,0,0|3,0,0]=3 13 B21R3.9913503 CC(=O)OCSC1c2ccccc2-c3c1cccc3 62a_100000211598_100000076356 [0,0,0,0,0,0|4,0,0]=4 14 B21R3.9913503 CC(C)OCCn1c2ccccc2c3c1cccc3 34a_100000297428_100000210206 [0,0,0,0,0,0|3,0,1]=4 15 B21R3.9913503 CC(O)CCNC1c2ccccc2-c3c1cccc3 2230a_100000104097_100012276601 [0,0,0,0,0,0|3,0,1]=4 16 B21R3.9913503 CC(O)CCNC1c2ccccc2-c3c1cccc3 2230a_200000755665_100000211598 [0,0,0,0,0,0|3,0,1]=4 17 B21R3.9913503 CC(O)CCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100012276601 [0,0,0,0,0,0|3,0,1]=4 18 B21R3.9913503 CC(O)CCSC1c2ccccc2-c3c1cccc3 62a_100000211598_100012276601 [0,0,0,0,0,0|3,0,1]=4 19 B21R3.9913503 CC(O)CNCC1c2ccccc2-c3c1cccc3 2230a_100016995487_100011218427 [0,0,0,0,0,0|3,0,1]=4 20 B21R3.9913503 CC(O)CNCC1c2ccccc2-c3c1cccc3 34a_100016995487_100011218427 [0,0,0,0,0,0|3,0,1]=4 21 B21R3.9913503 CC(O)COCC1c2ccccc2-c3c1cccc3 34a_100011215202_100011218427 [0,0,0,0,0,0|3,0,1]=4 22 B21R3.9913503 CC(O)COCC1c2ccccc2-c3c1cccc3 7a_100011215202_100011218427 [0,0,0,0,0,0|3,0,1]=4 23 B21R3.9913503 C[C@@H](O)CNCC1c2ccccc2-c3c1cccc3 2230a_100016995487_100009817552 [0,0,0,0,0,0|3,0,1]=4 24 B21R3.9913503 C[C@@H](O)CNCC1c2ccccc2-c3c1cccc3 34a_100016995487_100009817552 [0,0,0,0,0,0|3,0,1]=4 25 B21R3.9913503 C[C@@H](O)COCC1c2ccccc2-c3c1cccc3 34a_100011215202_100009817552 [0,0,0,0,0,0|3,0,1]=4 26 B21R3.9913503 C[C@@H](O)COCC1c2ccccc2-c3c1cccc3 7a_100011215202_100009817552 [0,0,0,0,0,0|3,0,1]=4 27 B21R3.9913503 NC(=O)CCNC1c2ccccc2-c3c1cccc3 2230a_100000104097_100000744528 [0,0,0,0,0,0|3,0,0]=3 28 B21R3.9913503 NC(=O)CCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100000744528 [0,0,0,0,0,0|3,0,0]=3 29 B21R3.9913503 NC(=O)CCOC1c2ccccc2-c3c1cccc3 7a_100000757172_100000211598 [0,0,0,0,0,0|3,0,0]=3 30 B21R3.9913503 NC(=O)CCSC1c2ccccc2-c3c1cccc3 62a_100000211598_100000744528 [0,0,0,0,0,0|3,0,0]=3 31 B21R3.9913503 NC(=O)CNCC1c2ccccc2-c3c1cccc3 2230a_100016995487_100000747473 [0,0,0,0,0,0|3,0,0]=3 32 B21R3.9913503 NC(=O)CNCC1c2ccccc2-c3c1cccc3 34a_100016995487_100000187820 [0,0,0,0,0,0|3,0,0]=3 33 B21R3.9913503 NC(=O)COCC1c2ccccc2-c3c1cccc3 34a_100011215202_100000187820 [0,0,0,0,0,0|3,0,0]=3 34 B21R3.9913503 NC(=O)COCC1c2ccccc2-c3c1cccc3 7a_100011215202_100000187820 [0,0,0,0,0,0|3,0,0]=3 35 B21R3.9913503 O=C(O)CONC1c2ccccc2-c3c1cccc3 269956a_100000106656_100000211598 [0,0,0,0,0,0|3,0,0]=3 36 B21R3.9913503 O=C([O-])CNCC1c2ccccc2-c3c1cccc3 34a_100016995487_100020667443 [0,0,0,0,0,0|2,0,1]=3 37 B21R3.9913503 O=C([O-])COCC1c2ccccc2-c3c1cccc3 34a_100011215202_100020667443 [0,0,0,0,0,0|2,0,1]=3 38 B21R3.9913503 O=[N+]([O-])CNCC1c2ccccc2-c3c1cccc3 34a_100016995487_100000761209 [0,0,0,0,0,0|3,0,1]=4 39 B21R3.9913503 O=[N+]([O-])COCC1c2ccccc2-c3c1cccc3 34a_100011215202_100000761209 [0,0,0,0,0,0|3,0,1]=4 40 B20R3.2040304 C=CCCNC1c2ccccc2-c3c1cccc3 2230a_100000104097_100000754431 [1,0,0,0,0,0|3,0,0]=4 41 B20R3.2040304 C=CCCNC1c2ccccc2-c3c1cccc3 2230a_100015191253_100000211598 [1,0,0,0,0,0|3,0,0]=4 42 B20R3.2040304 C=CCCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100000754431 [1,0,0,0,0,0|3,0,0]=4 43 B20R3.2040304 C=CCNCC1c2ccccc2-c3c1cccc3 2230a_100016995487_100000210623 [1,0,0,0,0,0|3,0,0]=4 44 B20R3.2040304 C=CCNCC1c2ccccc2-c3c1cccc3 34a_100016995487_100015514636 [1,0,0,0,0,0|3,0,0]=4 45 B20R3.2040304 C=CCOCC1c2ccccc2-c3c1cccc3 34a_100011215202_100015514636 [1,0,0,0,0,0|3,0,0]=4 46 B20R3.2040304 C=CCOCC1c2ccccc2-c3c1cccc3 7a_100011215202_100015514636 [1,0,0,0,0,0|3,0,0]=4 47 B20R3.2040304 CCOCCn1c2ccccc2c3c1cccc3 34a_100000297428_100000210202 [1,0,0,0,0,0|2,0,1]=4 48 B20R3.2040304 FCOCCn1c2ccccc2c3c1cccc3 34a_100000297428_100015361967 [1,0,0,0,0,0|2,0,1]=4 49 B20R3.2040304 O=CCNCC1c2ccccc2-c3c1cccc3 2230a_100016995487_200015260668 [1,0,0,0,0,0|2,0,0]=3 50 B20R3.2040304 O=CCNCC1c2ccccc2-c3c1cccc3 34a_100016995487_200009817547 [1,0,0,0,0,0|2,0,0]=3 51 B20R3.2040304 O=CCOCC1c2ccccc2-c3c1cccc3 34a_100011215202_200009817547 [1,0,0,0,0,0|2,0,0]=3 52 B20R3.2040304 O=CCOCC1c2ccccc2-c3c1cccc3 7a_100011215202_200015260668 [1,0,0,0,0,0|2,0,0]=3 53 B20R3.2040304 OCCCNC1c2ccccc2-c3c1cccc3 2230a_100000104097_100000230001 [1,0,0,0,0,0|2,0,1]=4 54 B20R3.2040304 OCCCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100011215043 [1,0,0,0,0,0|2,0,1]=4 55 B20R3.2040304 OCCCSC1c2ccccc2-c3c1cccc3 62a_100000211598_100011215043 [1,0,0,0,0,0|2,0,1]=4 56 B20R3.2040304 OCCNCC1c2ccccc2-c3c1cccc3 2230a_100016995487_100000211926 [1,0,0,0,0,0|2,0,1]=4 57 B20R3.2040304 OCCNCC1c2ccccc2-c3c1cccc3 34a_100016995487_100000211926 [1,0,0,0,0,0|2,0,1]=4 58 B20R3.2040304 OCCOCC1c2ccccc2-c3c1cccc3 34a_100011215202_100000211926 [1,0,0,0,0,0|2,0,1]=4 59 B20R3.2040304 OCCOCC1c2ccccc2-c3c1cccc3 7a_100011215202_100000211926 [1,0,0,0,0,0|2,0,1]=4 60 B20R2.10592 CC(=O)CCCNc1ccccc1c2[c-]cccc2 34a_107093835030_100000685027 [0,0,1,0,0,0|1,0,1]=3 61 B20R2.10592 CC(=O)CCCNc1ccccc1c2[c-]cccc2 7a_107093835030_100011215641 [0,0,1,0,0,0|1,0,1]=3 62 B20R2.10592 CC(=O)CCCNc1ccccc1c2ccccc2 34a_100000210918_100000685027 [0,0,1,0,0,0|1,0,0]=2 63 B20R2.10592 CC(=O)CCCOc1ccccc1c2ccccc2 34a_100000210297_100000685027 [0,0,1,0,0,0|2,0,0]=3 64 B20R2.10592 CC(=O)CCCOc1ccccc1c2ccccc2 7a_100000210297_100011215641 [0,0,1,0,0,0|2,0,0]=3 65 B20R2.10592 CC(=O)CCCOc1ccccc1c2ccccn2 34a_100012186605_100000685027 [0,0,1,0,0,0|3,0,0]=4 66 B20R2.10592 CC(=O)CCCOc1ccccc1c2ccccn2 7a_100012186605_100011215641 [0,0,1,0,0,0|3,0,0]=4 67 B20R2.10592 CC(=O)CCCOc1cccnc1c2ccccc2 34a_100011996219_100000685027 [0,0,1,0,0,0|3,0,0]=4 68 B20R2.10592 CC(=O)CCCOc1cccnc1c2ccccc2 7a_100011996219_100011215641 [0,0,1,0,0,0|3,0,0]=4 69 B20R2.10592 CC(=O)CCCSc1ccccc1c2ccccc2 62a_100000033479_100011215641 [0,0,1,0,0,0|2,0,0]=3 70 B20R2.10592 CC(=O)CCCSc1ccccc1c2ccccc2 62a_100011215641_100000033479 [0,0,1,0,0,0|2,0,0]=3 71 B20R2.10592 CC(=O)CCCSc1ccccc1c2ccccn2 62a_100010202516_100011215641 [0,0,1,0,0,0|3,0,0]=4 72 B20R2.10592 CC(=O)CCCSc1ccccc1c2ccccn2 62a_100011215641_100010202516 [0,0,1,0,0,0|3,0,0]=4 73 B20R2.10592 CC(=O)CCCSc1ccccc1c2ccncc2 62a_100010154595_100011215641 [0,0,1,0,0,0|3,0,0]=4 74 B20R2.10592 CC(=O)CCCSc1ccccc1c2ccncc2 62a_100011215641_100010154595 [0,0,1,0,0,0|3,0,0]=4 75 B20R2.10592 CC(=O)CCCSc1cccnc1c2ccccc2 62a_100010138707_100011215641 [0,0,1,0,0,0|3,0,0]=4 76 B20R2.10592 CC(=O)CCCSc1cccnc1c2ccccc2 62a_100011215641_100010138707 [0,0,1,0,0,0|3,0,0]=4 77 B20R2.10592 CC(=O)CCCSc1cnccc1c2ccccc2 62a_100009816686_100011215641 [0,0,1,0,0,0|3,0,0]=4 78 B20R2.10592 CC(=O)CCCSc1cnccc1c2ccccc2 62a_100011215641_100009816686 [0,0,1,0,0,0|3,0,0]=4 79 B20R2.10592 CC(=O)CCOCc1ccccc1c2ccccc2 34a_100000759926_100009813379 [0,0,1,0,0,0|3,0,0]=4 80 B20R2.10592 CC(=O)CCOCc1ccccc1c2ccccc2 7a_100000032370_100000053229 [0,0,1,0,0,0|3,0,0]=4 81 B20R2.10592 CC(=O)CCOCc1ccccc1c2ccccc2 7a_100000759926_100009813379 [0,0,1,0,0,0|3,0,0]=4 82 B20R2.10592 CC(=O)CCSCc1ccccc1c2ccccc2 62a_100000053229_100009813379 [0,0,1,0,0,0|3,0,0]=4 83 B20R2.10592 CC(=O)CCSCc1ccccc1c2ccccc2 62a_100009813379_100000053229 [0,0,1,0,0,0|3,0,0]=4 84 B20R2.10592 CC(=O)NCCNc1ccccc1c2[c-]cccc2 7a_107093835030_100000189650 [0,0,1,0,0,0|2,0,1]=4 85 B20R2.10592 CC(=O)NCCNc1ccccc1c2ccncc2 27a_100000209853_100010154595 [0,0,1,0,0,0|3,0,0]=4 86 B20R2.10592 CC(=O)NCCNc1cccnc1c2ccccc2 27a_100000209853_100010138707 [0,0,1,0,0,0|3,0,0]=4 87 B20R2.10592 CC(=O)NCCOc1ccccc1c2ccccc2 11a_100000746045_100015343762 [0,0,1,0,0,0|3,0,0]=4 88 B20R2.10592 CC(=O)NCCOc1ccccc1c2ccccc2 1626a_100000746045_100015343762 [0,0,1,0,0,0|3,0,0]=4 89 B20R2.10592 CC(=O)NCCOc1ccccc1c2ccccc2 240690a_100000746045_100015343762 [0,0,1,0,0,0|3,0,0]=4 90 B20R2.10592 CC(=O)NCCOc1ccccc1c2ccccc2 527a_100000746045_100103153847 [0,0,1,0,0,0|3,0,0]=4 91 B20R2.10592 CC(=O)NCCOc1ccccc1c2ccccc2 7a_100000210297_100000189650 [0,0,1,0,0,0|3,0,0]=4 92 B20R2.10592 CC(=O)NCCSc1ccccc1c2ccccc2 62a_100000033479_100000189650 [0,0,1,0,0,0|3,0,0]=4 93 B20R2.10592 CC(=O)NCCSc1ccccc1c2ccccc2 62a_100000189650_100000033479 [0,0,1,0,0,0|3,0,0]=4 94 B20R2.10592 CC(=O)OCCNc1ccccc1c2[c-]cccc2 34a_107093835030_100009814007 [0,0,1,0,0,0|2,0,1]=4 95 B20R2.10592 CC(=O)OCCNc1ccccc1c2[c-]cccc2 7a_107093835030_100009814007 [0,0,1,0,0,0|2,0,1]=4 96 B20R2.10592 CC(=O)OCCNc1ccccc1c2ccccc2 34a_100000210918_100009814007 [0,0,1,0,0,0|2,0,0]=3 97 B20R2.10592 CC(=O)OCCOc1ccccc1c2ccccc2 34a_100000210297_100009814007 [0,0,1,0,0,0|3,0,0]=4 98 B20R2.10592 CC(=O)OCCOc1ccccc1c2ccccc2 7a_100000210297_100009814007 [0,0,1,0,0,0|3,0,0]=4 99 B20R2.10592 CC(=O)OCCSc1ccccc1c2ccccc2 62a_100000033479_100009814007 [0,0,1,0,0,0|3,0,0]=4 100 B20R2.10592 CC(=O)OCCSc1ccccc1c2ccccc2 62a_100009814007_100000033479 [0,0,1,0,0,0|3,0,0]=4 101 B20R2.10592 CC(O)CCCNc1ccccc1c2[c-]cccc2 34a_107093835030_200000718107 [0,0,1,0,0,0|1,0,2]=4 102 B20R2.10592 CC(O)CCCNc1ccccc1c2[c-]cccc2 7a_107093835030_200000718107 [0,0,1,0,0,0|1,0,2]=4 103 B20R2.10592 CC(O)CCCNc1ccccc1c2ccccc2 34a_100000210918_200000718107 [0,0,1,0,0,0|1,0,1]=3 104 B20R2.10592 CC(O)CCCOc1ccccc1c2ccccc2 34a_100000210297_200000718107 [0,0,1,0,0,0|2,0,1]=4 105 B20R2.10592 CC(O)CCCOc1ccccc1c2ccccc2 7a_100000210297_200000718107 [0,0,1,0,0,0|2,0,1]=4 106 B20R2.10592 CC(O)CCCSc1ccccc1c2ccccc2 62a_100000033479_200000718107 [0,0,1,0,0,0|2,0,1]=4 107 B20R2.10592 CC(O)CCCSc1ccccc1c2ccccc2 62a_200000718107_100000033479 [0,0,1,0,0,0|2,0,1]=4 108 B20R2.10592 CS(=O)CCCNc1ccccc1c2ccncc2 27a_200000753449_100010154595 [0,0,1,0,0,0|3,0,0]=4 109 B20R2.10592 CS(=O)CCCNc1cccnc1c2ccccc2 27a_200000753449_100010138707 [0,0,1,0,0,0|3,0,0]=4 110 B20R2.10592 FC(=CCCNc1ccccc1c2ccccc2)F 34a_100000210918_200009816681 [0,0,1,0,0,0|2,0,1]=4 111 B20R2.10592 NC(=O)CCCNc1ccccc1c2[c-]cccc2 34a_107093835030_100102525003 [0,0,1,0,0,0|1,0,1]=3 112 B20R2.10592 NC(=O)CCCNc1ccccc1c2[c-]cccc2 7a_107093835030_100102525003 [0,0,1,0,0,0|1,0,1]=3 113 B20R2.10592 NC(=O)CCCNc1ccccc1c2ccccc2 34a_100000210918_100102525003 [0,0,1,0,0,0|1,0,0]=2 114 B20R2.10592 NC(=O)CCCNc1ccccc1c2ccncc2 27a_100000739312_100010154595 [0,0,1,0,0,0|2,0,0]=3 115 B20R2.10592 NC(=O)CCCNc1cccnc1c2ccccc2 27a_100000739312_100010138707 [0,0,1,0,0,0|2,0,0]=3 116 B20R2.10592 NC(=O)CCCNc1cncnc1c2ccccc2 27a_100000739312_200009816525 [0,0,1,0,0,0|3,0,0]=4 117 B20R2.10592 NC(=O)CCCOc1ccccc1c2ccccc2 34a_100000210297_100102525003 [0,0,1,0,0,0|2,0,0]=3 118 B20R2.10592 NC(=O)CCCOc1ccccc1c2ccccc2 7a_100000210297_100102525003 [0,0,1,0,0,0|2,0,0]=3 119 B20R2.10592 NC(=O)CCCOc1ccccc1c2ccccn2 34a_100012186605_100102525003 [0,0,1,0,0,0|3,0,0]=4 120 B20R2.10592 NC(=O)CCCOc1ccccc1c2ccccn2 7a_100012186605_100102525003 [0,0,1,0,0,0|3,0,0]=4 121 B20R2.10592 NC(=O)CCCOc1cccnc1c2ccccc2 34a_100011996219_100102525003 [0,0,1,0,0,0|3,0,0]=4 122 B20R2.10592 NC(=O)CCCOc1cccnc1c2ccccc2 7a_100011996219_100102525003 [0,0,1,0,0,0|3,0,0]=4 123 B20R2.10592 NC(=O)CCCSc1ccccc1c2ccccc2 62a_100000033479_100102525003 [0,0,1,0,0,0|2,0,0]=3 124 B20R2.10592 NC(=O)CCCSc1ccccc1c2ccccc2 62a_100102525003_100000033479 [0,0,1,0,0,0|2,0,0]=3 125 B20R2.10592 NC(=O)CCCSc1ccccc1c2ccccn2 62a_100010202516_100102525003 [0,0,1,0,0,0|3,0,0]=4 126 B20R2.10592 NC(=O)CCCSc1ccccc1c2ccccn2 62a_100102525003_100010202516 [0,0,1,0,0,0|3,0,0]=4 127 B20R2.10592 NC(=O)CCCSc1ccccc1c2ccncc2 62a_100010154595_100102525003 [0,0,1,0,0,0|3,0,0]=4 128 B20R2.10592 NC(=O)CCCSc1ccccc1c2ccncc2 62a_100102525003_100010154595 [0,0,1,0,0,0|3,0,0]=4 129 B20R2.10592 NC(=O)CCCSc1cccnc1c2ccccc2 62a_100010138707_100102525003 [0,0,1,0,0,0|3,0,0]=4 130 B20R2.10592 NC(=O)CCCSc1cccnc1c2ccccc2 62a_100102525003_100010138707 [0,0,1,0,0,0|3,0,0]=4 131 B20R2.10592 NC(=O)CCCSc1cnccc1c2ccccc2 62a_100009816686_100102525003 [0,0,1,0,0,0|3,0,0]=4 132 B20R2.10592 NC(=O)CCCSc1cnccc1c2ccccc2 62a_100102525003_100009816686 [0,0,1,0,0,0|3,0,0]=4 133 B20R2.10592 NC(=O)CCNCc1ccccc1c2ccccc2 207a_100000740010_100011219292 [0,0,1,0,0,0|3,0,0]=4 134 B20R2.10592 NC(=O)CCNCc1ccccc1c2ccccc2 34a_100000071662_100000731001 [0,0,1,0,0,0|3,0,0]=4 135 B20R2.10592 NC(=O)CCOCc1ccccc1c2ccccc2 34a_100000032370_100000731001 [0,0,1,0,0,0|3,0,0]=4 136 B20R2.10592 NC(=O)CCOCc1ccccc1c2ccccc2 34a_100000757172_100009813379 [0,0,1,0,0,0|3,0,0]=4 137 B20R2.10592 NC(=O)CCOCc1ccccc1c2ccccc2 7a_100000032370_100000744528 [0,0,1,0,0,0|3,0,0]=4 138 B20R2.10592 NC(=O)CCOCc1ccccc1c2ccccc2 7a_100000757172_100009813379 [0,0,1,0,0,0|3,0,0]=4 139 B20R2.10592 NC(=O)CCSCc1ccccc1c2ccccc2 62a_100000744528_100009813379 [0,0,1,0,0,0|3,0,0]=4 140 B20R2.10592 NC(=O)CCSCc1ccccc1c2ccccc2 62a_100009813379_100000744528 [0,0,1,0,0,0|3,0,0]=4 141 B20R2.10592 NC(=O)NCCNc1ccccc1c2[c-]cccc2 7a_107093835030_200000034859 [0,0,1,0,0,0|2,0,1]=4 142 B20R2.10592 NC(=O)NCCNc1ccccc1c2ccncc2 27a_100020590234_100010154595 [0,0,1,0,0,0|3,0,0]=4 143 B20R2.10592 NC(=O)NCCNc1cccnc1c2ccccc2 27a_100020590234_100010138707 [0,0,1,0,0,0|3,0,0]=4 144 B20R2.10592 NC(=O)NCCOc1ccccc1c2ccccc2 7a_100000210297_200000034859 [0,0,1,0,0,0|3,0,0]=4 145 B20R2.10592 NC(=O)NCCSc1ccccc1c2ccccc2 62a_100000033479_200000034859 [0,0,1,0,0,0|3,0,0]=4 146 B20R2.10592 NC(=O)NCCSc1ccccc1c2ccccc2 62a_200000034859_100000033479 [0,0,1,0,0,0|3,0,0]=4 147 B20R2.10592 NC(=O)OCCNc1ccccc1c2[c-]cccc2 34a_107093835030_200011214921 [0,0,1,0,0,0|2,0,1]=4 148 B20R2.10592 NC(=O)OCCNc1ccccc1c2[c-]cccc2 7a_107093835030_200011214921 [0,0,1,0,0,0|2,0,1]=4 149 B20R2.10592 NC(=O)OCCNc1ccccc1c2ccccc2 34a_100000210918_200011214921 [0,0,1,0,0,0|2,0,0]=3 150 B20R2.10592 NC(=O)OCCOc1ccccc1c2ccccc2 34a_100000210297_200011214921 [0,0,1,0,0,0|3,0,0]=4 151 B20R2.10592 NC(=O)OCCOc1ccccc1c2ccccc2 7a_100000210297_200011214921 [0,0,1,0,0,0|3,0,0]=4 152 B20R2.10592 NC(=O)OCCSc1ccccc1c2ccccc2 62a_100000033479_200011214921 [0,0,1,0,0,0|3,0,0]=4 153 B20R2.10592 NC(=O)OCCSc1ccccc1c2ccccc2 62a_200011214921_100000033479 [0,0,1,0,0,0|3,0,0]=4 154 B20R2.10592 O=C(O)CONCc1ccccc1c2ccccc2 269956a_100000106656_100009813379 [0,0,1,0,0,0|3,0,0]=4 155 B20R2.10799 CC(=O)CCOC(c1ccccc1)c2ccccc2 1458a_100000070787_100000734929 [0,0,1,0,0,0|3,0,0]=4 156 B20R2.10799 CC(=O)CCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000053229 [0,0,1,0,0,0|3,0,0]=4 157 B20R2.10799 CC(=O)CCOC(c1ccccc1)c2ccccc2 7a_100000759926_100011216954 [0,0,1,0,0,0|3,0,0]=4 158 B20R2.10799 CC(=O)CCSC(c1ccccc1)c2ccccc2 62a_100000053229_100011216954 [0,0,1,0,0,0|3,0,0]=4 159 B20R2.10799 CC(=O)CCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000053229 [0,0,1,0,0,0|3,0,0]=4 160 B20R2.10799 CC(=O)NCCC(c1ccccc1)c2ccccc2 11a_100000272388_100015343762 [0,0,1,0,0,0|3,0,0]=4 161 B20R2.10799 CC(=O)NCCC(c1ccccc1)c2ccccc2 1626a_100000272388_100015343762 [0,0,1,0,0,0|3,0,0]=4 162 B20R2.10799 CC(=O)NCCC(c1ccccc1)c2ccccc2 240690a_100000272388_100015343762 [0,0,1,0,0,0|3,0,0]=4 163 B20R2.10799 CC(=O)NCCC(c1ccccc1)c2ccccc2 527a_100000272388_100103153847 [0,0,1,0,0,0|3,0,0]=4 164 B20R2.10799 CC(=O)NCCP(c1ccccc1)c2ccccc2 11a_107094377242_100015343762 [0,0,1,0,0,0|2,1,0]=4 165 B20R2.10799 CC(=O)NCCP(c1ccccc1)c2ccccc2 1626a_107094377242_100015343762 [0,0,1,0,0,0|2,1,0]=4 166 B20R2.10799 CC(=O)NCCP(c1ccccc1)c2ccccc2 240690a_107094377242_100015343762 [0,0,1,0,0,0|2,1,0]=4 167 B20R2.10799 CC(=O)NCCP(c1ccccc1)c2ccccc2 527a_107094377242_100103153847 [0,0,1,0,0,0|2,1,0]=4 168 B20R2.10799 NC(=O)CCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000744528 [0,0,1,0,0,0|3,0,0]=4 169 B20R2.10799 NC(=O)CCNC(c1ccccc1)c2ccccc2 34a_100000162943_100000731001 [0,0,1,0,0,0|3,0,0]=4 170 B20R2.10799 NC(=O)CCOC(c1ccccc1)c2ccccc2 34a_100000211180_100000731001 [0,0,1,0,0,0|3,0,0]=4 171 B20R2.10799 NC(=O)CCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000744528 [0,0,1,0,0,0|3,0,0]=4 172 B20R2.10799 NC(=O)CCOC(c1ccccc1)c2ccccc2 7a_100000757172_100011216954 [0,0,1,0,0,0|3,0,0]=4 173 B20R2.10799 NC(=O)CCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000744528 [0,0,1,0,0,0|3,0,0]=4 174 B20R2.10799 NC(=O)CCSC(c1ccccc1)c2ccccc2 62a_100000744528_100011216954 [0,0,1,0,0,0|3,0,0]=4 175 B20R2.10799 NC(=O)CNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100000747473 [0,0,1,0,0,0|3,0,0]=4 176 B20R2.10799 NC(=O)CNCC(c1ccccc1)c2ccccc2 34a_100000739227_100000187820 [0,0,1,0,0,0|3,0,0]=4 177 B20R2.10799 NC(=O)COCC(c1ccccc1)c2ccccc2 34a_100011215272_100000187820 [0,0,1,0,0,0|3,0,0]=4 178 B20R2.10799 NC(=O)COCC(c1ccccc1)c2ccccc2 7a_100011215272_100000187820 [0,0,1,0,0,0|3,0,0]=4 179 B20R2.10799 O=C(O)CONC(c1ccccc1)c2ccccc2 269956a_100000106656_100011216954 [0,0,1,0,0,0|3,0,0]=4 180 B20R2.10799 O=C([O-])CNCC(c1ccccc1)c2ccccc2 34a_100000739227_100020667443 [0,0,1,0,0,0|2,0,1]=4 181 B20R2.10799 O=C([O-])COCC(c1ccccc1)c2ccccc2 34a_100011215272_100020667443 [0,0,1,0,0,0|2,0,1]=4 182 B20R3.651490 CC(=O)CCn1c2ccccc2c3c1cccc3 1458a_100000489668_200000210301 [0,0,0,0,1,0|1,0,0]=2 183 B20R3.651490 CC(=O)NCC1c2ccccc2-c3c1cccc3 11a_100016995487_100015343762 [0,0,0,0,1,0|3,0,0]=4 184 B20R3.651490 CC(=O)NCC1c2ccccc2-c3c1cccc3 1626a_100016995487_100015343762 [0,0,0,0,1,0|3,0,0]=4 185 B20R3.651490 CC(=O)NCC1c2ccccc2-c3c1cccc3 240690a_100016995487_100015343762 [0,0,0,0,1,0|3,0,0]=4 186 B20R3.651490 CC(=O)NCC1c2ccccc2-c3c1cccc3 527a_100016995487_100103153847 [0,0,0,0,1,0|3,0,0]=4 187 B20R3.651490 NC(=O)CNC1c2ccccc2-c3c1cccc3 2230a_100000104097_100000747473 [0,0,0,0,1,0|3,0,0]=4 188 B20R3.651490 NC(=O)CNC1c2ccccc2-c3c1cccc3 2230a_100000711301_100000211598 [0,0,0,0,1,0|3,0,0]=4 189 B20R3.651490 NC(=O)COC1c2ccccc2-c3c1cccc3 7a_100000211495_100000187820 [0,0,0,0,1,0|3,0,0]=4 190 B20R3.651490 NC(=O)CSC1c2ccccc2-c3c1cccc3 62a_100000211598_100000747473 [0,0,0,0,1,0|3,0,0]=4 191 B20R3.651490 O=C(O)CNC1c2ccccc2-c3c1cccc3 269956a_100016091260_100000211598 [0,0,0,0,1,0|2,0,0]=3 192 B20R3.651490 O=C([O-])CSC1c2ccccc2-c3c1cccc3 62a_100000211598_100020667443 [0,0,0,0,1,0|2,0,1]=4 193 B20R3.651490 [13CH3]C(=O)CCn1c2ccccc2c3c1cccc3 1458a_100000489668_200025704644 [0,0,0,0,1,0|1,0,0]=2 194 B19R2.127 C#CCCCNc1ccccc1c2ccccc2 34a_100000210918_100000695029 [1,0,1,0,0,0|1,0,1]=4 195 B19R2.127 C=CCCCNc1ccccc1c2[c-]cccc2 34a_107093835030_100000757094 [1,0,1,0,0,0|1,0,1]=4 196 B19R2.127 C=CCCCNc1ccccc1c2[c-]cccc2 7a_107093835030_100000757094 [1,0,1,0,0,0|1,0,1]=4 197 B19R2.127 C=CCCCNc1ccccc1c2ccccc2 34a_100000210918_100000757094 [1,0,1,0,0,0|1,0,0]=3 198 B19R2.127 C=CCCCNc1ccccc1c2ccncc2 27a_100000700776_100010154595 [1,0,1,0,0,0|2,0,0]=4 199 B19R2.127 C=CCCCNc1cccnc1c2ccccc2 27a_100000700776_100010138707 [1,0,1,0,0,0|2,0,0]=4 200 B19R2.127 C=CCCCOc1ccccc1c2ccccc2 34a_100000210297_100000757094 [1,0,1,0,0,0|2,0,0]=4 201 B19R2.127 C=CCCCOc1ccccc1c2ccccc2 7a_100000210297_100000757094 [1,0,1,0,0,0|2,0,0]=4 202 B19R2.127 C=COCCNc1ccccc1c2ccccc2 34a_100000210918_100000039644 [1,0,1,0,0,0|2,0,0]=4 203 B19R2.127 CCCCCNc1ccccc1c2ccccc2 34a_100000210918_100000718602 [1,0,1,0,0,0|1,0,1]=4 204 B19R2.127 COCCCNc1ccccc1c2ccccc2 34a_100000210918_100000740836 [1,0,1,0,0,0|2,0,0]=4 205 B19R2.127 FCCCCNc1ccccc1c2ccccc2 34a_100000210918_100000729493 [1,0,1,0,0,0|1,0,1]=4 206 B19R2.127 O=CCCCNc1ccccc1c2[c-]cccc2 7a_107093835030_200011292268 [1,0,1,0,0,0|0,0,1]=3 207 B19R2.127 O=CCCCOc1ccccc1c2ccccc2 7a_100000210297_200011292268 [1,0,1,0,0,0|1,0,0]=3 208 B19R2.127 O=CCCCOc1ccccc1c2ccccn2 7a_100012186605_200011292268 [1,0,1,0,0,0|2,0,0]=4 209 B19R2.127 O=CCCCOc1cccnc1c2ccccc2 7a_100011996219_200011292268 [1,0,1,0,0,0|2,0,0]=4 210 B19R2.127 O=CCCCSc1ccccc1c2ccccc2 62a_100000033479_200011292268 [1,0,1,0,0,0|1,0,0]=3 211 B19R2.127 O=CCCCSc1ccccc1c2ccccc2 62a_200011292268_100000033479 [1,0,1,0,0,0|1,0,0]=3 212 B19R2.127 O=CCCCSc1ccccc1c2ccccn2 62a_100010202516_200011292268 [1,0,1,0,0,0|2,0,0]=4 213 B19R2.127 O=CCCCSc1ccccc1c2ccccn2 62a_200011292268_100010202516 [1,0,1,0,0,0|2,0,0]=4 214 B19R2.127 O=CCCCSc1ccccc1c2ccncc2 62a_100010154595_200011292268 [1,0,1,0,0,0|2,0,0]=4 215 B19R2.127 O=CCCCSc1ccccc1c2ccncc2 62a_200011292268_100010154595 [1,0,1,0,0,0|2,0,0]=4 216 B19R2.127 O=CCCCSc1cccnc1c2ccccc2 62a_100010138707_200011292268 [1,0,1,0,0,0|2,0,0]=4 217 B19R2.127 O=CCCCSc1cccnc1c2ccccc2 62a_200011292268_100010138707 [1,0,1,0,0,0|2,0,0]=4 218 B19R2.127 O=CCCCSc1cnccc1c2ccccc2 62a_100009816686_200011292268 [1,0,1,0,0,0|2,0,0]=4 219 B19R2.127 O=CCCCSc1cnccc1c2ccccc2 62a_200011292268_100009816686 [1,0,1,0,0,0|2,0,0]=4 220 B19R2.127 OCCCCNc1ccccc1c2[c-]cccc2 34a_107093835030_100011216708 [1,0,1,0,0,0|0,0,2]=4 221 B19R2.127 OCCCCNc1ccccc1c2[c-]cccc2 7a_107093835030_100000210776 [1,0,1,0,0,0|0,0,2]=4 222 B19R2.127 OCCCCNc1ccccc1c2ccccc2 34a_100000210918_100011216708 [1,0,1,0,0,0|0,0,1]=3 223 B19R2.127 OCCCCNc1ccccc1c2ccncc2 27a_100000750430_100010154595 [1,0,1,0,0,0|1,0,1]=4 224 B19R2.127 OCCCCNc1cccnc1c2ccccc2 27a_100000750430_100010138707 [1,0,1,0,0,0|1,0,1]=4 225 B19R2.127 OCCCCOc1ccccc1c2ccccc2 34a_100000210297_100011216708 [1,0,1,0,0,0|1,0,1]=4 226 B19R2.127 OCCCCOc1ccccc1c2ccccc2 7a_100000210297_100000210776 [1,0,1,0,0,0|1,0,1]=4 227 B19R2.127 OCCCCSc1ccccc1c2ccccc2 62a_100000033479_100000210776 [1,0,1,0,0,0|1,0,1]=4 228 B19R2.127 OCCCCSc1ccccc1c2ccccc2 62a_100000210776_100000033479 [1,0,1,0,0,0|1,0,1]=4 229 B19R2.2474 O=CCNCC(c1ccccc1)c2ccccc2 2230a_100000739227_200015260668 [1,0,1,0,0,0|2,0,0]=4 230 B19R2.2474 O=CCNCC(c1ccccc1)c2ccccc2 34a_100000739227_200009817547 [1,0,1,0,0,0|2,0,0]=4 231 B19R2.2474 O=CCOCC(c1ccccc1)c2ccccc2 34a_100011215272_200009817547 [1,0,1,0,0,0|2,0,0]=4 232 B19R2.2474 O=CCOCC(c1ccccc1)c2ccccc2 7a_100011215272_200015260668 [1,0,1,0,0,0|2,0,0]=4 233 B19R3.223646 COCCn1c2ccccc2c3c1cccc3 34a_100000297428_200000210301 [2,0,0,0,0,0|1,0,1]=4 234 B19R3.223646 O=CCNC1c2ccccc2-c3c1cccc3 2230a_100000104097_200015260668 [2,0,0,0,0,0|2,0,0]=4 235 B19R3.223646 O=CCOC1c2ccccc2-c3c1cccc3 7a_100000211495_200015260668 [2,0,0,0,0,0|2,0,0]=4 236 B19R3.223646 O=CCSC1c2ccccc2-c3c1cccc3 62a_100000211598_200015260668 [2,0,0,0,0,0|2,0,0]=4 237 B19R3.223646 OCCNC1c2ccccc2-c3c1cccc3 2230a_100000104097_100000211926 [2,0,0,0,0,0|2,0,0]=4 238 B19R3.223646 OCCNC1c2ccccc2-c3c1cccc3 2230a_100016997473_100000211598 [2,0,0,0,0,0|2,0,0]=4 239 B19R3.223646 OCCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100000211926 [2,0,0,0,0,0|2,0,0]=4 240 B19R3.223646 OCCSC1c2ccccc2-c3c1cccc3 62a_100000211598_100000211926 [2,0,0,0,0,0|2,0,0]=4 241 B19R3.223646 [13CH3]OCCn1c2ccccc2c3c1cccc3 34a_100000297428_200025704644 [2,0,0,0,0,0|1,0,1]=4 242 B21R3.1905445 C[C@@H](OCC=O)C1c2ccccc2-c3c1cccc3 34a_200102646376_200009817547 [1,1,0,0,0,0|2,0,0]=4 243 B21R3.1905445 C[C@@H](OCC=O)C1c2ccccc2-c3c1cccc3 7a_200102646376_200015260668 [1,1,0,0,0,0|2,0,0]=4 244 B21R3.3772129 C#CCOCCn1c2ccccc2c3c1cccc3 34a_100000297428_100000184674 [1,1,0,0,0,0|1,0,1]=4 245 B21R3.3772129 C=CCCCNC1c2ccccc2-c3c1cccc3 2230a_100000104097_100011713584 [1,1,0,0,0,0|2,0,0]=4 246 B21R3.3772129 C=CCCCNC1c2ccccc2-c3c1cccc3 2230a_100000700776_100000211598 [1,1,0,0,0,0|2,0,0]=4 247 B21R3.3772129 C=CCCCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100000757094 [1,1,0,0,0,0|2,0,0]=4 248 B21R3.3772129 C=CCCCOC1c2ccccc2-c3c1cccc3 7a_100000758997_100000211598 [1,1,0,0,0,0|2,0,0]=4 249 B21R3.3772129 C=CCCNCC1c2ccccc2-c3c1cccc3 2230a_100016995487_100000754431 [1,1,0,0,0,0|2,0,0]=4 250 B21R3.3772129 C=CCCNCC1c2ccccc2-c3c1cccc3 34a_100016995487_100000754431 [1,1,0,0,0,0|2,0,0]=4 251 B21R3.3772129 C=CCCOCC1c2ccccc2-c3c1cccc3 34a_100011215202_100000754431 [1,1,0,0,0,0|2,0,0]=4 252 B21R3.3772129 C=CCCOCC1c2ccccc2-c3c1cccc3 7a_100011215202_100000754431 [1,1,0,0,0,0|2,0,0]=4 253 B21R3.3772129 C=CCOCCn1c2ccccc2c3c1cccc3 34a_100000297428_100015514636 [1,1,0,0,0,0|1,0,0]=3 254 B21R3.3772129 CCCOCCn1c2ccccc2c3c1cccc3 34a_100000297428_100000210303 [1,1,0,0,0,0|1,0,1]=4 255 B21R3.3772129 CNCCCCn1c2ccccc2c3c1cccc3 2230a_106832991635_100000426982 [1,1,0,0,0,0|1,0,1]=4 256 B21R3.3772129 CNCCCCn1c2ccccc2c3c1cccc3 7a_106832991635_100000426982 [1,1,0,0,0,0|1,0,1]=4 257 B21R3.3772129 CSCOCCn1c2ccccc2c3c1cccc3 34a_100000297428_100011218213 [1,1,0,0,0,0|2,0,0]=4 258 B21R3.3772129 FCCOCCn1c2ccccc2c3c1cccc3 34a_100000297428_100011217306 [1,1,0,0,0,0|1,0,1]=4 259 B21R3.3772129 O=CCCCNC1c2ccccc2-c3c1cccc3 2230a_100000104097_200011292268 [1,1,0,0,0,0|1,0,0]=3 260 B21R3.3772129 O=CCCCOC1c2ccccc2-c3c1cccc3 7a_100000211495_200011292268 [1,1,0,0,0,0|1,0,0]=3 261 B21R3.3772129 O=CCCCSC1c2ccccc2-c3c1cccc3 62a_100000211598_200011292268 [1,1,0,0,0,0|1,0,0]=3 262 B21R3.3772129 O=CCOCCn1c2ccccc2c3c1cccc3 34a_100000297428_200009817547 [1,1,0,0,0,0|0,0,0]=2 263 B21R3.3772129 OCCCCNC1c2ccccc2-c3c1cccc3 2230a_100000104097_100000210776 [1,1,0,0,0,0|1,0,1]=4 264 B21R3.3772129 OCCCCNC1c2ccccc2-c3c1cccc3 2230a_100000750430_100000211598 [1,1,0,0,0,0|1,0,1]=4 265 B21R3.3772129 OCCCCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100000210776 [1,1,0,0,0,0|1,0,1]=4 266 B21R3.3772129 OCCCCSC1c2ccccc2-c3c1cccc3 62a_100000211598_100000210776 [1,1,0,0,0,0|1,0,1]=4 267 B21R3.3772129 OCCCNCC1c2ccccc2-c3c1cccc3 2230a_100016995487_100000230001 [1,1,0,0,0,0|1,0,1]=4 268 B21R3.3772129 OCCCNCC1c2ccccc2-c3c1cccc3 34a_100016995487_100000230001 [1,1,0,0,0,0|1,0,1]=4 269 B21R3.3772129 OCCCOCC1c2ccccc2-c3c1cccc3 34a_100011215202_100000230001 [1,1,0,0,0,0|1,0,1]=4 270 B21R3.3772129 OCCCOCC1c2ccccc2-c3c1cccc3 7a_100011215202_100011215043 [1,1,0,0,0,0|1,0,1]=4 271 B21R3.3772129 OCCOCCn1c2ccccc2c3c1cccc3 34a_100000297428_100000211926 [1,1,0,0,0,0|0,0,1]=3 272 B21R3.8069923 Nc1ccc-2c(c1)C(c3c2cccc3)COCC=O 34a_200010591344_200009817547 [1,1,0,0,0,0|2,0,0]=4 273 B21R3.8069923 Nc1ccc-2c(c1)C(c3c2cccc3)COCC=O 7a_200010591344_200015260668 [1,1,0,0,0,0|2,0,0]=4 274 B21R3.8487692 C=CCC(=O)Cn1c2ccccc2c3c1cccc3 1458a_100000293892_100000210623 [1,1,0,0,0,0|1,0,1]=4 275 B21R3.8487692 O=C(CCO)Cn1c2ccccc2c3c1cccc3 1458a_100000293892_100000211926 [1,1,0,0,0,0|0,0,2]=4 276 B21R3.13927454 C[C@H](NC1c2ccccc2-c3c1cccc3)C(=O)O 269956a_100000743915_100000211598 [0,1,0,0,1,0|2,0,0]=4 277 B21R3.22824008 CN(CC(=O)O)C1c2ccccc2-c3c1cccc3 269956a_100000746989_100000211598 [0,1,0,0,1,0|2,0,0]=4 278 B21R3.208 O=C1OCC(O1)Nc2ccccc2c3[c-]cccc3 34a_107093835030_100000032252 [0,0,1,1,0,0|1,0,1]=4 279 B21R3.208 O=C1OCC(O1)Nc2ccccc2c3ccccc3 34a_100000210918_100000032252 [0,0,1,1,0,0|1,0,0]=3 280 B21R3.208 O=C1OCC(O1)Oc2ccccc2c3ccccc3 34a_100000210297_100000032252 [0,0,1,1,0,0|2,0,0]=4 281 B21R3.208 O=C1OCC(O1)Sc2ccccc2c3ccccc3 62a_100000033479_100000032252 [0,0,1,1,0,0|2,0,0]=4 282 B21R3.225 O=C1C=C(CCC1)c2ccccc2c3ccccc3 271570a_100000723966_100000033479 [0,0,1,1,0,0|2,0,0]=4 283 B21R3.12839 O=C1CC(C1)CNc2ccccc2c3[c-]cccc3 7a_107093835030_100009874392 [0,0,1,1,0,0|1,0,1]=4 284 B21R3.12839 O=C1CC(C1)COc2ccccc2c3ccccc3 7a_100000210297_100009874392 [0,0,1,1,0,0|2,0,0]=4 285 B21R3.12839 O=C1CC(C1)CSc2ccccc2c3ccccc3 62a_100000033479_100009874392 [0,0,1,1,0,0|2,0,0]=4 286 B21R3.12839 O=C1CC(C1)CSc2ccccc2c3ccccc3 62a_100009874392_100000033479 [0,0,1,1,0,0|2,0,0]=4 287 B21R3.47788 c1ccc(cc1)c2ccccc2NCCCC3CO3 34a_100000210918_100000733510 [0,0,1,1,0,0|1,0,1]=4 288 B21R3.191956 O=S1(=O)CCCN1c2ccccc2c3ccccc3 271570a_100011218836_100000217126 [0,0,1,1,0,0|1,0,1]=4 289 B19R2.8685 C=C(C)CCNc1ccccc1c2ccccc2 34a_100000210918_100000730704 [0,0,1,0,1,0|2,0,0]=4 290 B19R2.8685 CC(=O)CCNc1ccccc1c2[c-]cccc2 7a_107093835030_100000053229 [0,0,1,0,1,0|1,0,1]=4 291 B19R2.8685 CC(=O)CCOc1ccccc1c2ccccc2 7a_100000210297_100000053229 [0,0,1,0,1,0|2,0,0]=4 292 B19R2.8685 CC(=O)CCSc1ccccc1c2ccccc2 62a_100000033479_100000053229 [0,0,1,0,1,0|2,0,0]=4 293 B19R2.8685 CC(=O)CCSc1ccccc1c2ccccc2 62a_100000053229_100000033479 [0,0,1,0,1,0|2,0,0]=4 294 B19R2.8685 CC(=O)COCc1ccccc1c2ccccc2 34a_100000211253_100009813379 [0,0,1,0,1,0|2,0,0]=4 295 B19R2.8685 CC(=O)OCNc1ccccc1c2ccccc2 34a_100000210918_100009813279 [0,0,1,0,1,0|2,0,0]=4 296 B19R2.8685 CC(O)CCNc1ccccc1c2ccccc2 34a_100000210918_100012276601 [0,0,1,0,1,0|1,0,1]=4 297 B19R2.8685 NC(=O)CCNc1ccccc1c2[c-]cccc2 34a_107093835030_100000731001 [0,0,1,0,1,0|1,0,1]=4 298 B19R2.8685 NC(=O)CCNc1ccccc1c2[c-]cccc2 7a_107093835030_100000744528 [0,0,1,0,1,0|1,0,1]=4 299 B19R2.8685 NC(=O)CCNc1ccccc1c2ccccc2 34a_100000210918_100000731001 [0,0,1,0,1,0|1,0,0]=3 300 B19R2.8685 NC(=O)CCNc1ccccc1c2ccncc2 27a_100000740010_100010154595 [0,0,1,0,1,0|2,0,0]=4 301 B19R2.8685 NC(=O)CCNc1cccnc1c2ccccc2 27a_100000740010_100010138707 [0,0,1,0,1,0|2,0,0]=4 302 B19R2.8685 NC(=O)CCOc1ccccc1c2ccccc2 34a_100000210297_100000731001 [0,0,1,0,1,0|2,0,0]=4 303 B19R2.8685 NC(=O)CCOc1ccccc1c2ccccc2 7a_100000210297_100000744528 [0,0,1,0,1,0|2,0,0]=4 304 B19R2.8685 NC(=O)CCSc1ccccc1c2ccccc2 62a_100000033479_100000744528 [0,0,1,0,1,0|2,0,0]=4 305 B19R2.8685 NC(=O)CCSc1ccccc1c2ccccc2 62a_100000744528_100000033479 [0,0,1,0,1,0|2,0,0]=4 306 B19R2.8685 NC(=O)CNCc1ccccc1c2ccccc2 2230a_100000711301_100009813379 [0,0,1,0,1,0|2,0,0]=4 307 B19R2.8685 NC(=O)CNCc1ccccc1c2ccccc2 34a_100000071662_100000187820 [0,0,1,0,1,0|2,0,0]=4 308 B19R2.8685 NC(=O)COCc1ccccc1c2ccccc2 34a_100000032370_100000187820 [0,0,1,0,1,0|2,0,0]=4 309 B19R2.8685 NC(=O)COCc1ccccc1c2ccccc2 7a_100000032370_100000187820 [0,0,1,0,1,0|2,0,0]=4 310 B19R2.8685 NC(=O)CSCc1ccccc1c2ccccc2 62a_100000747473_100009813379 [0,0,1,0,1,0|2,0,0]=4 311 B19R2.8685 NC(=O)CSCc1ccccc1c2ccccc2 62a_100009813379_100000747473 [0,0,1,0,1,0|2,0,0]=4 312 B19R2.8685 O=C(O)CNCc1ccccc1c2ccccc2 269956a_100016091260_100009813379 [0,0,1,0,1,0|1,0,0]=3 313 B19R2.8685 O=C([O-])CNCc1ccccc1c2ccccc2 34a_100000071662_100020667443 [0,0,1,0,1,0|1,0,1]=4 314 B19R2.8685 O=C([O-])COCc1ccccc1c2ccccc2 34a_100000032370_100020667443 [0,0,1,0,1,0|1,0,1]=4 315 B19R2.8685 O=C([O-])CSCc1ccccc1c2ccccc2 62a_100009813379_100020667443 [0,0,1,0,1,0|1,0,1]=4 316 B19R2.8685 O=C([O-])CSCc1ccccc1c2ccccc2 62a_100020667443_100009813379 [0,0,1,0,1,0|1,0,1]=4 317 B19R2.8697 CC(=O)CCCNc1ccccc1c2ccco2 34a_200020605208_100000685027 [0,0,1,0,1,0|2,0,0]=4 318 B19R2.8697 CC(=O)CCCNc1ccccc1n2cccc2 34a_100000187513_100000685027 [0,0,1,0,1,0|2,0,0]=4 319 B19R2.8697 NC(=O)CCCNc1ccccc1c2ccco2 34a_200020605208_100102525003 [0,0,1,0,1,0|2,0,0]=4 320 B19R2.8697 NC(=O)CCCNc1ccccc1n2cccc2 34a_100000187513_100102525003 [0,0,1,0,1,0|2,0,0]=4 321 B19R2.13577 CC(=O)CCC(c1ccccc1)c2ccccc2 1458a_100000070787_100009813428 [0,0,1,0,1,0|2,0,0]=4 322 B19R2.13577 CC(=O)CCP(c1ccccc1)c2ccccc2 1458a_100020644332_200000210301 [0,0,1,0,1,0|1,1,0]=4 323 B19R2.13577 CC(=O)CC[S+](c1ccccc1)c2ccccc2 1458a_100000070787_100010140906 [0,0,1,0,1,0|2,0,0]=4 324 B19R2.13577 O=C(O)CNC(c1ccccc1)c2ccccc2 269956a_100016091260_100011216954 [0,0,1,0,1,0|2,0,0]=4 325 B19R2.13577 [13CH3]C(=O)CCP(c1ccccc1)c2ccccc2 1458a_100020644332_200025704644 [0,0,1,0,1,0|1,1,0]=4 326 B19R3.631815 CC(=O)CC1c2ccccc2-c3c1cccc3 1458a_100000011082_200000210301 [0,0,0,0,2,0|2,0,0]=4 327 B19R3.631815 CC(=O)Cn1c2ccccc2c3c1cccc3 1458a_100000293892_200000210301 [0,0,0,0,2,0|1,0,0]=3 328 B19R3.631815 [13CH3]C(=O)CC1c2ccccc2-c3c1cccc3 1458a_100000011082_200025704644 [0,0,0,0,2,0|2,0,0]=4 329 B19R3.631815 [13CH3]C(=O)Cn1c2ccccc2c3c1cccc3 1458a_100000293892_200025704644 [0,0,0,0,2,0|1,0,0]=3 330 B21R3.8069667 O=CCOCc1c2ccccc2cc3c1cccc3 34a_100000025838_200009817547 [1,0,0,0,0,1|2,0,0]=4 331 B21R3.8069667 O=CCOCc1c2ccccc2cc3c1cccc3 7a_100000025838_200015260668 [1,0,0,0,0,1|2,0,0]=4 332 B21R3.8069667 O=CCSCc1c2ccccc2cc3c1cccc3 62a_100009992879_200015260668 [1,0,0,0,0,1|2,0,0]=4 333 B21R3.8069667 O=CCSCc1c2ccccc2cc3c1cccc3 62a_200015260668_100009992879 [1,0,0,0,0,1|2,0,0]=4 334 B21R3.8069667 O=CCSCc1c2ccccc2nc3c1cccc3 62a_100009813545_200015260668 [1,0,0,0,0,1|2,0,0]=4 335 B21R3.7877738 CC(=O)CCN1c2ccccc2Sc3c1cccc3 1458a_200000489519_200000210301 [0,0,0,0,1,1|1,0,0]=3 336 B21R3.7877738 CC(=O)CCc1c2ccccc2cc3c1cccc3 1458a_100000136548_200000210301 [0,0,0,0,1,1|2,0,0]=4 337 B21R3.7877738 [13CH3]C(=O)CCN1c2ccccc2Sc3c1cccc3 1458a_200000489519_200025704644 [0,0,0,0,1,1|1,0,0]=3 338 B21R3.7877738 [13CH3]C(=O)CCc1c2ccccc2cc3c1cccc3 1458a_100000136548_200025704644 [0,0,0,0,1,1|2,0,0]=4