0 B19R3.1757189 COC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_200000210301 [1,0,0,0,0,0|3,0,0]=4 1 B19R3.1757189 [13CH3]OC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_200025704644 [1,0,0,0,0,0|3,0,0]=4 2 B19R2.13525 CC(=O)Cc1ccccc1C=Cc2ccccc2 271570a_100102527694_100011350739 [0,0,1,0,0,0|2,0,0]=3 3 B19R2.13525 CC(=O)Cc1ccccc1C=Cc2cccnc2 271570a_100102525586_100011350739 [0,0,1,0,0,0|3,0,0]=4 4 B19R2.13525 CC(=O)Nc1ccccc1C#Cc2ccccc2 11a_100000044502_100015343762 [0,0,1,0,0,0|1,0,2]=4 5 B19R2.13525 CC(=O)Nc1ccccc1C#Cc2ccccc2 1626a_100000044502_100015343762 [0,0,1,0,0,0|1,0,2]=4 6 B19R2.13525 CC(=O)Nc1ccccc1C#Cc2ccccc2 22a_100000044502_100000070787 [0,0,1,0,0,0|1,0,2]=4 7 B19R2.13525 CC(=O)Nc1ccccc1C#Cc2ccccc2 271570a_100000069678_100000153524 [0,0,1,0,0,0|1,0,2]=4 8 B19R2.13525 CC(=O)Nc1ccccc1C=Cc2ccccc2 271570a_100102527694_100000153524 [0,0,1,0,0,0|1,0,0]=2 9 B19R2.13525 CC(=O)Nc1ccccc1C=Cc2cccnc2 271570a_100102525586_100000153524 [0,0,1,0,0,0|2,0,0]=3 10 B19R2.13525 CC(=O)Nc1ccccc1CNc2ccccc2 270302a_100000106764_100000059780 [0,0,1,0,0,0|2,0,1]=4 11 B19R2.13525 CC(=O)Nc1ccccc1COc2ccccc2 11a_100000742786_100015343762 [0,0,1,0,0,0|2,0,1]=4 12 B19R2.13525 CC(=O)Nc1ccccc1COc2ccccc2 1626a_100000742786_100015343762 [0,0,1,0,0,0|2,0,1]=4 13 B19R2.13525 CC(=O)Nc1ccccc1COc2ccccc2 22a_100000742786_100000070787 [0,0,1,0,0,0|2,0,1]=4 14 B19R2.13525 CC(=O)Nc1ccccc1COc2ccccc2 527a_100000742786_100103153847 [0,0,1,0,0,0|2,0,1]=4 15 B19R2.13525 CC(=O)Nc1ccccc1NCc2ccccc2 207a_100011193560_100015611070 [0,0,1,0,0,0|2,0,1]=4 16 B19R2.13525 CC(=O)Nc1ccccc1NCc2ccccc2 34a_100011193560_100015291786 [0,0,1,0,0,0|2,0,1]=4 17 B19R2.13525 CC(=O)Nc1ccccc1OCc2ccccc2 11a_100011193923_100015343762 [0,0,1,0,0,0|2,0,1]=4 18 B19R2.13525 CC(=O)Nc1ccccc1OCc2ccccc2 1626a_100011193923_100015343762 [0,0,1,0,0,0|2,0,1]=4 19 B19R2.13525 CC(=O)Nc1ccccc1OCc2ccccc2 22a_100011193923_100000070787 [0,0,1,0,0,0|2,0,1]=4 20 B19R2.13525 CC(=O)Nc1ccccc1OCc2ccccc2 34a_100000185124_100015291786 [0,0,1,0,0,0|2,0,1]=4 21 B19R2.13525 CC(=O)Nc1ccccc1OCc2ccccc2 527a_100011193923_100103153847 [0,0,1,0,0,0|2,0,1]=4 22 B19R2.13525 CC(=O)Nc1ccccc1OCc2ccccc2 7a_100000185124_100000211182 [0,0,1,0,0,0|2,0,1]=4 23 B19R2.13525 CC(=O)Nc1ccccc1SCc2ccccc2 11a_100000198535_100015343762 [0,0,1,0,0,0|2,0,1]=4 24 B19R2.13525 CC(=O)Nc1ccccc1SCc2ccccc2 1626a_100000198535_100015343762 [0,0,1,0,0,0|2,0,1]=4 25 B19R2.13525 CC(=O)Nc1ccccc1SCc2ccccc2 22a_100000198535_100000070787 [0,0,1,0,0,0|2,0,1]=4 26 B19R2.13525 CC(=O)Nc1ccccc1SCc2ccccc2 62a_100000211182_100000153524 [0,0,1,0,0,0|2,0,1]=4 27 B19R2.13525 CC(=O)Nc1ccncc1C=Cc2ccccc2 271570a_100102527694_100016132053 [0,0,1,0,0,0|2,0,0]=3 28 B19R2.13525 CC(=O)Nc1ccncc1C=Cc2cccnc2 271570a_100102525586_100016132053 [0,0,1,0,0,0|3,0,0]=4 29 B19R2.13525 CC(=O)Oc1ccccc1C=Cc2ccccc2 271570a_100102527694_100000051690 [0,0,1,0,0,0|2,0,0]=3 30 B19R2.13525 CC(=O)Oc1ccccc1C=Cc2cccnc2 271570a_100102525586_100000051690 [0,0,1,0,0,0|3,0,0]=4 31 B19R2.13525 CC(=O)Oc1cccnc1C=Cc2ccccc2 271570a_100102527694_200009815371 [0,0,1,0,0,0|3,0,0]=4 32 B19R2.13525 CC(C)Nc1ccccc1C=Cc2ccccc2 271570a_100102527694_100000219599 [0,0,1,0,0,0|2,0,1]=4 33 B19R2.13525 NC(=O)Cc1ccccc1C#Cc2ccccc2 271570a_100000069678_200009814924 [0,0,1,0,0,0|1,0,2]=4 34 B19R2.13525 NC(=O)Cc1ccccc1C=Cc2ccccc2 271570a_100102527694_200009814924 [0,0,1,0,0,0|1,0,0]=2 35 B19R2.13525 NC(=O)Cc1ccccc1C=Cc2cccnc2 271570a_100102525586_200009814924 [0,0,1,0,0,0|2,0,0]=3 36 B19R2.13525 NC(=O)Cc1ccccc1SCc2ccccc2 62a_100000211182_200009814924 [0,0,1,0,0,0|2,0,1]=4 37 B19R2.13525 NC(=O)Cc1ccccc1SCc2ccccc2 62a_200009814924_100015291786 [0,0,1,0,0,0|2,0,1]=4 38 B19R2.13525 NC(=O)Nc1ccccc1C#Cc2ccccc2 271570a_100000069678_100000742221 [0,0,1,0,0,0|0,0,2]=3 39 B19R2.13525 NC(=O)Nc1ccccc1C=Cc2ccccc2 271570a_100102527694_100000742221 [0,0,1,0,0,0|0,0,0]=1 40 B19R2.13525 NC(=O)Nc1ccccc1C=Cc2cccnc2 271570a_100102525586_100000742221 [0,0,1,0,0,0|1,0,0]=2 41 B19R2.13525 NC(=O)Nc1ccccc1SCc2ccccc2 62a_100000211182_100000742221 [0,0,1,0,0,0|1,0,1]=3 42 B19R2.13525 NC(=O)Nc1ccccc1SCc2ccccn2 62a_100000721315_100000742221 [0,0,1,0,0,0|2,0,1]=4 43 B19R2.13525 NC(=O)Nc1ccccc1SCc2cccnc2 62a_100000741622_100000742221 [0,0,1,0,0,0|2,0,1]=4 44 B19R2.13525 NC(=O)Nc1ccccc1SCc2ccncc2 62a_100015193705_100000742221 [0,0,1,0,0,0|2,0,1]=4 45 B19R2.13525 NC(=S)Nc1ccccc1OCc2ccccc2 7a_200000011649_100000211182 [0,0,1,0,0,0|1,1,1]=4 46 B19R3.629728 C=C(C)c1c2ccccc2cc3c1cccc3 271570a_100000694244_100000185772 [0,0,0,0,1,0|3,0,0]=4 47 B19R3.629728 CC(=O)C1c2ccccc2Cc3c1cccc3 1458a_200020600205_200000210301 [0,0,0,0,1,0|2,0,1]=4 48 B19R3.629728 CC(=O)C1c2ccccc2Oc3c1cccc3 1458a_100000499733_200000210301 [0,0,0,0,1,0|3,0,0]=4 49 B19R3.629728 CC(=O)c1c2ccccc2cc3c1cccc3 1458a_100000610644_200000210301 [0,0,0,0,1,0|2,0,0]=3 50 B19R3.629728 [13CH3]C(=O)C1c2ccccc2Cc3c1cccc3 1458a_200020600205_200025704644 [0,0,0,0,1,0|2,0,1]=4 51 B19R3.629728 [13CH3]C(=O)C1c2ccccc2Oc3c1cccc3 1458a_100000499733_200025704644 [0,0,0,0,1,0|3,0,0]=4 52 B19R3.629728 [13CH3]C(=O)c1c2ccccc2cc3c1cccc3 1458a_100000610644_200025704644 [0,0,0,0,1,0|2,0,0]=3 53 B18R2.2627 C=CCc1ccccc1C=Cc2ccccc2 271570a_100102527694_100009828059 [1,0,1,0,0,0|2,0,0]=4 54 B18R2.2627 CCNc1ccccc1C=Cc2ccccc2 271570a_100102527694_114873767003 [1,0,1,0,0,0|1,0,1]=4 55 B18R2.2627 NCCc1ccccc1C=Cc2ccccc2 271570a_100102527694_100000747383 [1,0,1,0,0,0|1,0,1]=4 56 B18R2.2627 NNCc1ccccc1C=Cc2ccccc2 271570a_100102527694_200016993956 [1,0,1,0,0,0|2,0,0]=4 57 B18R2.2627 O=CNc1ccccc1SCc2ccccc2 62a_100000211182_200020615051 [1,0,1,0,0,0|1,0,1]=4 58 B18R2.2627 O=CNc1ccccc1SCc2ccccc2 62a_200020615051_100015291786 [1,0,1,0,0,0|1,0,1]=4 59 B20R2.8697 CC(=O)Cc1ccccc1C=Cc2ccccc2F 271570a_200102527919_100011350739 [0,1,1,0,0,0|2,0,0]=4 60 B20R2.8697 CC(=O)Nc1ccccc1C=Cc2ccccc2F 271570a_200102527919_100000153524 [0,1,1,0,0,0|1,0,0]=3 61 B20R2.8697 CC(=O)Nc1ccncc1C=Cc2ccccc2F 271570a_200102527919_100016132053 [0,1,1,0,0,0|2,0,0]=4 62 B20R2.8697 CC(=O)Oc1ccccc1C=Cc2ccccc2F 271570a_200102527919_100000051690 [0,1,1,0,0,0|2,0,0]=4 63 B20R2.8697 Cc1ccccc1CSc2ccccc2NC(=O)N 62a_100000211839_100000742221 [0,1,1,0,0,0|1,0,1]=4 64 B20R2.8697 NC(=O)Cc1ccccc1C=Cc2ccccc2F 271570a_200102527919_200009814924 [0,1,1,0,0,0|1,0,0]=3 65 B20R2.8697 NC(=O)Nc1ccccc1C=Cc2ccccc2F 271570a_200102527919_100000742221 [0,1,1,0,0,0|0,0,0]=2 66 B20R2.8697 NC(=O)Nc1ccccc1SCc2ccccc2Br 62a_100000184730_100000742221 [0,1,1,0,0,0|1,0,1]=4 67 B20R2.8697 NC(=O)Nc1ccccc1SCc2ccccc2Cl 62a_100000187162_100000742221 [0,1,1,0,0,0|1,0,1]=4 68 B20R2.8697 NC(=O)Nc1ccccc1SCc2ccccc2F 62a_100000211605_100000742221 [0,1,1,0,0,0|1,0,1]=4 69 B20R2.8697 NC(=O)Nc1ccccc1SCc2ccccc2I 62a_100011216222_100000742221 [0,1,1,0,0,0|1,0,1]=4 70 B20R2.15830 CC(=O)Cc1ccccc1C=Cc2ccc(cc2)Br 271570a_100102527914_100011350739 [0,1,1,0,0,0|2,0,0]=4 71 B20R2.15830 CC(=O)Cc1ccccc1C=Cc2ccc(cc2)C 271570a_100102527916_100011350739 [0,1,1,0,0,0|2,0,0]=4 72 B20R2.15830 CC(=O)Cc1ccccc1C=Cc2ccc(cc2)Cl 271570a_100102527930_100011350739 [0,1,1,0,0,0|2,0,0]=4 73 B20R2.15830 CC(=O)Cc1ccccc1C=Cc2ccc(cc2)F 271570a_100102525539_100011350739 [0,1,1,0,0,0|2,0,0]=4 74 B20R2.15830 CC(=O)Nc1ccccc1C=Cc2ccc(cc2)Br 271570a_100102527914_100000153524 [0,1,1,0,0,0|1,0,0]=3 75 B20R2.15830 CC(=O)Nc1ccccc1C=Cc2ccc(cc2)C 271570a_100102527916_100000153524 [0,1,1,0,0,0|1,0,0]=3 76 B20R2.15830 CC(=O)Nc1ccccc1C=Cc2ccc(cc2)Cl 271570a_100102527930_100000153524 [0,1,1,0,0,0|1,0,0]=3 77 B20R2.15830 CC(=O)Nc1ccccc1C=Cc2ccc(cc2)F 271570a_100102525539_100000153524 [0,1,1,0,0,0|1,0,0]=3 78 B20R2.15830 CC(=O)Nc1ccncc1C=Cc2ccc(cc2)Br 271570a_100102527914_100016132053 [0,1,1,0,0,0|2,0,0]=4 79 B20R2.15830 CC(=O)Nc1ccncc1C=Cc2ccc(cc2)C 271570a_100102527916_100016132053 [0,1,1,0,0,0|2,0,0]=4 80 B20R2.15830 CC(=O)Nc1ccncc1C=Cc2ccc(cc2)Cl 271570a_100102527930_100016132053 [0,1,1,0,0,0|2,0,0]=4 81 B20R2.15830 CC(=O)Nc1ccncc1C=Cc2ccc(cc2)F 271570a_100102525539_100016132053 [0,1,1,0,0,0|2,0,0]=4 82 B20R2.15830 CC(=O)Oc1ccccc1C=Cc2ccc(cc2)Br 271570a_100102527914_100000051690 [0,1,1,0,0,0|2,0,0]=4 83 B20R2.15830 CC(=O)Oc1ccccc1C=Cc2ccc(cc2)C 271570a_100102527916_100000051690 [0,1,1,0,0,0|2,0,0]=4 84 B20R2.15830 CC(=O)Oc1ccccc1C=Cc2ccc(cc2)Cl 271570a_100102527930_100000051690 [0,1,1,0,0,0|2,0,0]=4 85 B20R2.15830 CC(=O)Oc1ccccc1C=Cc2ccc(cc2)F 271570a_100102525539_100000051690 [0,1,1,0,0,0|2,0,0]=4 86 B20R2.15830 Cc1ccc(cc1)C=Cc2ccccc2CC(=O)N 271570a_100102527916_200009814924 [0,1,1,0,0,0|1,0,0]=3 87 B20R2.15830 Cc1ccc(cc1)C=Cc2ccccc2NC(=O)N 271570a_100102527916_100000742221 [0,1,1,0,0,0|0,0,0]=2 88 B20R2.15830 Cc1ccc(cc1)CSc2ccccc2NC(=O)N 62a_100000210814_100000742221 [0,1,1,0,0,0|1,0,1]=4 89 B20R2.15830 NC(=O)Cc1ccccc1C=Cc2ccc(cc2)Br 271570a_100102527914_200009814924 [0,1,1,0,0,0|1,0,0]=3 90 B20R2.15830 NC(=O)Cc1ccccc1C=Cc2ccc(cc2)Cl 271570a_100102527930_200009814924 [0,1,1,0,0,0|1,0,0]=3 91 B20R2.15830 NC(=O)Cc1ccccc1C=Cc2ccc(cc2)F 271570a_100102525539_200009814924 [0,1,1,0,0,0|1,0,0]=3 92 B20R2.15830 NC(=O)Nc1ccccc1C=Cc2ccc(cc2)Br 271570a_100102527914_100000742221 [0,1,1,0,0,0|0,0,0]=2 93 B20R2.15830 NC(=O)Nc1ccccc1C=Cc2ccc(cc2)Cl 271570a_100102527930_100000742221 [0,1,1,0,0,0|0,0,0]=2 94 B20R2.15830 NC(=O)Nc1ccccc1C=Cc2ccc(cc2)F 271570a_100102525539_100000742221 [0,1,1,0,0,0|0,0,0]=2 95 B20R2.15830 NC(=O)Nc1ccccc1SCc2ccc(cc2)Br 62a_100000189115_100000742221 [0,1,1,0,0,0|1,0,1]=4 96 B20R2.15830 NC(=O)Nc1ccccc1SCc2ccc(cc2)Cl 62a_100000187161_100000742221 [0,1,1,0,0,0|1,0,1]=4 97 B20R2.15830 NC(=O)Nc1ccccc1SCc2ccc(cc2)F 62a_100000198546_100000742221 [0,1,1,0,0,0|1,0,1]=4 98 B20R2.15830 NC(=O)Nc1ccccc1SCc2ccc(cc2)I 62a_100000189116_100000742221 [0,1,1,0,0,0|1,0,1]=4 99 B20R2.17795 CC(=O)Nc1ccccc1C(=O)Nc2ccccc2 11a_200005462405_100015343762 [0,1,1,0,0,0|2,0,0]=4 100 B20R2.17795 CC(=O)Nc1ccccc1C(=O)Nc2ccccc2 1626a_200005462405_100015343762 [0,1,1,0,0,0|2,0,0]=4 101 B20R2.17795 CC(=O)Nc1ccccc1C(=O)Nc2ccccc2 22a_200005462405_100000070787 [0,1,1,0,0,0|2,0,0]=4 102 B20R2.17804 CC(=O)Nc1ccccc1NC(=O)c2ccccc2 11a_100011193560_100000185807 [0,1,1,0,0,0|2,0,0]=4 103 B20R2.17804 CC(=O)Nc1ccccc1NC(=O)c2ccccc2 11a_200000287447_100015343762 [0,1,1,0,0,0|2,0,0]=4 104 B20R2.17804 CC(=O)Nc1ccccc1NC(=O)c2ccccc2 1626a_100011193560_100000185807 [0,1,1,0,0,0|2,0,0]=4 105 B20R2.17804 CC(=O)Nc1ccccc1NC(=O)c2ccccc2 1626a_200000287447_100015343762 [0,1,1,0,0,0|2,0,0]=4 106 B20R2.17804 CC(=O)Nc1ccccc1NC(=O)c2ccccc2 22a_100011193560_100000185807 [0,1,1,0,0,0|2,0,0]=4 107 B20R2.17804 CC(=O)Nc1ccccc1NC(=O)c2ccccc2 22a_200000287447_100000070787 [0,1,1,0,0,0|2,0,0]=4 108 B20R2.17804 CC(Cc1ccccc1NC(=O)N)c2ccccc2 271570a_100000062452_100000742221 [0,1,1,0,0,0|0,0,2]=4 109 B20R2.17804 CC(Sc1ccccc1NC(=O)N)c2ccccc2 62a_100000230085_100000742221 [0,1,1,0,0,0|1,0,1]=4 110 B20R2.76279 CC(=O)Nc1cc(ccc1C=Cc2ccccc2)C 271570a_100102527694_100000182586 [0,1,1,0,0,0|1,0,0]=3 111 B20R2.76279 CC(=O)Nc1cc(ccc1C=Cc2ccccc2)F 271570a_100102527694_100012558231 [0,1,1,0,0,0|1,0,0]=3 112 B20R2.76279 CC(=O)Nc1cc(ccc1C=Cc2cccnc2)C 271570a_100102525586_100000182586 [0,1,1,0,0,0|2,0,0]=4 113 B20R2.76279 CC(=O)Nc1cc(ccc1C=Cc2cccnc2)F 271570a_100102525586_100012558231 [0,1,1,0,0,0|2,0,0]=4 114 B20R2.76279 CC(=O)Oc1cc(ccc1C=Cc2ccccc2)F 271570a_100102527694_200015685721 [0,1,1,0,0,0|2,0,0]=4 115 B20R2.95551 Cc1cccc(c1C=Cc2ccccc2)CC(=O)N 271570a_100102527694_100011096275 [0,1,1,0,0,0|1,0,0]=3 116 B20R2.95551 Cc1cccc(c1C=Cc2cccnc2)CC(=O)N 271570a_100102525586_100011096275 [0,1,1,0,0,0|2,0,0]=4 117 B20R2.153665 CC(=O)Cc1ccccc1C=Cc2cccc(c2)C 271570a_200135466880_100011350739 [0,1,1,0,0,0|2,0,0]=4 118 B20R2.153665 CC(=O)Cc1ccccc1C=Cc2cccc(c2)Cl 271570a_100102525933_100011350739 [0,1,1,0,0,0|2,0,0]=4 119 B20R2.153665 CC(=O)Cc1ccccc1C=Cc2cccc(c2)F 271570a_100102525537_100011350739 [0,1,1,0,0,0|2,0,0]=4 120 B20R2.153665 CC(=O)Nc1ccccc1C=Cc2cccc(c2)C 271570a_200135466880_100000153524 [0,1,1,0,0,0|1,0,0]=3 121 B20R2.153665 CC(=O)Nc1ccccc1C=Cc2cccc(c2)Cl 271570a_100102525933_100000153524 [0,1,1,0,0,0|1,0,0]=3 122 B20R2.153665 CC(=O)Nc1ccccc1C=Cc2cccc(c2)F 271570a_100102525537_100000153524 [0,1,1,0,0,0|1,0,0]=3 123 B20R2.153665 CC(=O)Nc1ccncc1C=Cc2cccc(c2)C 271570a_200135466880_100016132053 [0,1,1,0,0,0|2,0,0]=4 124 B20R2.153665 CC(=O)Nc1ccncc1C=Cc2cccc(c2)Cl 271570a_100102525933_100016132053 [0,1,1,0,0,0|2,0,0]=4 125 B20R2.153665 CC(=O)Nc1ccncc1C=Cc2cccc(c2)F 271570a_100102525537_100016132053 [0,1,1,0,0,0|2,0,0]=4 126 B20R2.153665 CC(=O)Oc1ccccc1C=Cc2cccc(c2)C 271570a_200135466880_100000051690 [0,1,1,0,0,0|2,0,0]=4 127 B20R2.153665 CC(=O)Oc1ccccc1C=Cc2cccc(c2)Cl 271570a_100102525933_100000051690 [0,1,1,0,0,0|2,0,0]=4 128 B20R2.153665 CC(=O)Oc1ccccc1C=Cc2cccc(c2)F 271570a_100102525537_100000051690 [0,1,1,0,0,0|2,0,0]=4 129 B20R2.153665 Cc1cccc(c1)C=Cc2ccccc2CC(=O)N 271570a_200135466880_200009814924 [0,1,1,0,0,0|1,0,0]=3 130 B20R2.153665 Cc1cccc(c1)C=Cc2ccccc2NC(=O)N 271570a_200135466880_100000742221 [0,1,1,0,0,0|0,0,0]=2 131 B20R2.153665 Cc1cccc(c1)CSc2ccccc2NC(=O)N 62a_100000211840_100000742221 [0,1,1,0,0,0|1,0,1]=4 132 B20R2.153665 NC(=O)Cc1ccccc1C=Cc2cccc(c2)Cl 271570a_100102525933_200009814924 [0,1,1,0,0,0|1,0,0]=3 133 B20R2.153665 NC(=O)Cc1ccccc1C=Cc2cccc(c2)F 271570a_100102525537_200009814924 [0,1,1,0,0,0|1,0,0]=3 134 B20R2.153665 NC(=O)Nc1ccccc1C=Cc2cccc(c2)Cl 271570a_100102525933_100000742221 [0,1,1,0,0,0|0,0,0]=2 135 B20R2.153665 NC(=O)Nc1ccccc1C=Cc2cccc(c2)F 271570a_100102525537_100000742221 [0,1,1,0,0,0|0,0,0]=2 136 B20R2.153665 NC(=O)Nc1ccccc1SCc2cccc(c2)Br 62a_100000211773_100000742221 [0,1,1,0,0,0|1,0,1]=4 137 B20R2.153665 NC(=O)Nc1ccccc1SCc2cccc(c2)Cl 62a_100000187163_100000742221 [0,1,1,0,0,0|1,0,1]=4 138 B20R2.153665 NC(=O)Nc1ccccc1SCc2cccc(c2)F 62a_100000230114_100000742221 [0,1,1,0,0,0|1,0,1]=4 139 B20R2.153665 NC(=O)Nc1ccccc1SCc2cccc(c2)I 62a_100011218688_100000742221 [0,1,1,0,0,0|1,0,1]=4 140 B20R2.153665 NC(=O)Nc1ccccc1SCc2cccc(c2)O 62a_100011660834_100000742221 [0,1,1,0,0,0|1,0,1]=4 141 B20R2.156306 CC(=O)Nc1ccc(cc1C=Cc2ccccc2)Br 271570a_100102527694_100009813020 [0,1,1,0,0,0|1,0,0]=3 142 B20R2.156306 CC(=O)Nc1ccc(cc1C=Cc2ccccc2)C 271570a_100102527694_100000152032 [0,1,1,0,0,0|1,0,0]=3 143 B20R2.156306 CC(=O)Nc1ccc(cc1C=Cc2ccccc2)F 271570a_100102527694_100011215554 [0,1,1,0,0,0|1,0,0]=3 144 B20R2.156306 CC(=O)Nc1ccc(cc1C=Cc2cccnc2)Br 271570a_100102525586_100009813020 [0,1,1,0,0,0|2,0,0]=4 145 B20R2.156306 CC(=O)Nc1ccc(cc1C=Cc2cccnc2)C 271570a_100102525586_100000152032 [0,1,1,0,0,0|2,0,0]=4 146 B20R2.156306 CC(=O)Nc1ccc(cc1C=Cc2cccnc2)F 271570a_100102525586_100011215554 [0,1,1,0,0,0|2,0,0]=4 147 B20R2.156306 CC(=O)Nc1ncc(cc1C=Cc2ccccc2)C 271570a_100102527694_200009816786 [0,1,1,0,0,0|2,0,0]=4 148 B20R2.331049 CCC(=O)Nc1ccccc1C=Cc2ccccc2 271570a_100102527694_100000153536 [0,1,1,0,0,0|1,0,0]=3 149 B20R2.331049 CCC(=O)Nc1ccccc1C=Cc2cccnc2 271570a_100102525586_100000153536 [0,1,1,0,0,0|2,0,0]=4 150 B20R2.331049 CNC(=O)Cc1ccccc1C=Cc2ccccc2 271570a_100102527694_200009816160 [0,1,1,0,0,0|1,0,0]=3 151 B20R2.331049 CNC(=O)Cc1ccccc1C=Cc2cccnc2 271570a_100102525586_200009816160 [0,1,1,0,0,0|2,0,0]=4 152 B20R2.331049 CNC(=O)Nc1ccccc1C#Cc2ccccc2 2430a_100000044502_100102657272 [0,1,1,0,0,0|0,0,2]=4 153 B20R2.331049 CNC(=O)Nc1ccccc1C#Cc2ccccc2 512a_100000044502_100102657272 [0,1,1,0,0,0|0,0,2]=4 154 B20R2.331049 CNC(=O)Nc1ccccc1C#Cc2ccccc2 512a_106832991638_100000044502 [0,1,1,0,0,0|0,0,2]=4 155 B20R2.331049 CNC(=O)Nc1ccccc1COc2ccccc2 2430a_100000742786_100102657272 [0,1,1,0,0,0|1,0,1]=4 156 B20R2.331049 CNC(=O)Nc1ccccc1OCc2ccccc2 2430a_100011193923_100102657272 [0,1,1,0,0,0|1,0,1]=4 157 B20R2.331049 CNC(=O)Nc1ccccc1SCc2ccccc2 2430a_100000198535_100102657272 [0,1,1,0,0,0|1,0,1]=4 158 B20R2.331049 CNC(=O)Nc1ccccc1SCc2ccccc2 512a_100000198535_100102657272 [0,1,1,0,0,0|1,0,1]=4 159 B20R2.331049 COC(=O)Cc1ccccc1C=Cc2ccccc2 271570a_100102527694_100000699816 [0,1,1,0,0,0|2,0,0]=4 160 B20R2.331049 COC(=O)Nc1ccccc1C=Cc2ccccc2 271570a_100102527694_100000216184 [0,1,1,0,0,0|1,0,0]=3 161 B20R2.331049 COC(=O)Nc1ccccc1C=Cc2cccnc2 271570a_100102525586_100000216184 [0,1,1,0,0,0|2,0,0]=4 162 B20R2.331049 NCC(=O)Nc1ccccc1SCc2ccccc2 62a_100000211182_100000683505 [0,1,1,0,0,0|1,0,1]=4 163 B20R2.331049 NNC(=O)Cc1ccccc1C=Cc2ccccc2 271570a_100102527694_200010210069 [0,1,1,0,0,0|1,0,0]=3 164 B20R2.331049 NNC(=O)Cc1ccccc1C=Cc2cccnc2 271570a_100102525586_200010210069 [0,1,1,0,0,0|2,0,0]=4 165 B20R2.2714545 CS(=O)(=O)Nc1ccccc1C=Cc2ccccc2 271570a_100102527694_100000165598 [0,1,1,0,0,0|2,0,0]=4 166 B20R3.5877517 CCC(=O)c1c2ccccc2cc3c1cccc3 1458a_100000610644_100000210202 [0,1,0,0,1,0|2,0,0]=4 167 B20R3.5877517 CNC(=O)C1c2ccccc2Cc3c1cccc3 11a_106832991635_200020600205 [0,1,0,0,1,0|1,0,1]=4 168 B20R3.5877517 CNC(=O)C1c2ccccc2Cc3c1cccc3 1626a_100102657272_200020600205 [0,1,0,0,1,0|1,0,1]=4 169 B20R3.5877517 CNC(=O)C1c2ccccc2Cc3c1cccc3 240690a_100102657272_200020600205 [0,1,0,0,1,0|1,0,1]=4 170 B20R3.5877517 CNC(=O)C1c2ccccc2Oc3c1cccc3 11a_106832991635_100000499733 [0,1,0,0,1,0|2,0,0]=4 171 B20R3.5877517 CNC(=O)C1c2ccccc2Oc3c1cccc3 1626a_100102657272_100000499733 [0,1,0,0,1,0|2,0,0]=4 172 B20R3.5877517 CNC(=O)C1c2ccccc2Oc3c1cccc3 240690a_100102657272_100000499733 [0,1,0,0,1,0|2,0,0]=4 173 B20R3.5877517 CNC(=O)C1c2ccccc2Oc3c1cccc3 527a_100102657272_100000499733 [0,1,0,0,1,0|2,0,0]=4 174 B20R3.5877517 CNC(=O)c1c2ccccc2cc3c1cccc3 11a_106832991635_100000610644 [0,1,0,0,1,0|1,0,0]=3 175 B20R3.5877517 CNC(=O)c1c2ccccc2cc3c1cccc3 1626a_100102657272_100000610644 [0,1,0,0,1,0|1,0,0]=3 176 B20R3.5877517 CNC(=O)c1c2ccccc2cc3c1cccc3 240690a_100102657272_100000610644 [0,1,0,0,1,0|1,0,0]=3 177 B20R3.5877517 O=C(CF)c1c2ccccc2cc3c1cccc3 1458a_100000610644_100015361967 [0,1,0,0,1,0|2,0,0]=4 178 B22R3.13446522 CNCC(=O)N1c2ccccc2CCc3c1cccc3 2230a_106832991635_200000596418 [0,2,0,0,0,0|0,0,2]=4 179 B22R3.13446522 CNCC(=O)N1c2ccccc2CCc3c1cccc3 34a_100102657272_200000596418 [0,2,0,0,0,0|0,0,2]=4 180 B22R3.13446522 CNCC(=O)N1c2ccccc2CCc3c1cccc3 7a_106832991635_200000596418 [0,2,0,0,0,0|0,0,2]=4 181 B20R3.413 O=c1cc(c2ccccc2[nH]1)Nc3ccccc3 27a_100000106764_100000075698 [0,0,1,1,0,0|2,0,0]=4 182 B20R3.413 O=c1cc(c2ccccc2[nH]1)Sc3ccccc3 62a_100000719477_100000075698 [0,0,1,1,0,0|2,0,0]=4 183 B20R3.14321 Cc1cc2c(cccc2[nH]1)C=Cc3ccccc3 271570a_100102527694_100010143266 [0,0,1,1,0,0|2,0,0]=4 184 B20R3.14321 Cc1nc2c(cccc2[nH]1)C=Cc3ccccc3 271570a_100102527694_100012360556 [0,0,1,1,0,0|1,0,1]=4 185 B20R3.14321 Nc1cc2cccc(c2s1)C=Cc3ccccc3 271570a_100102527694_100010090802 [0,0,1,1,0,0|2,0,0]=4 186 B20R3.14321 Nc1nc2c(cccc2[nH]1)C=Cc3ccccc3 271570a_100102527694_100012356985 [0,0,1,1,0,0|1,0,1]=4 187 B20R3.14321 Nc1nc2c(cccc2s1)C=Cc3ccccc3 271570a_100102527694_100000724365 [0,0,1,1,0,0|0,1,1]=4 188 B20R3.14321 Nc1nc2cccc(c2o1)C=Cc3ccccc3 271570a_100102527694_100012347120 [0,0,1,1,0,0|2,0,0]=4 189 B20R3.14321 Nc1nc2cccc(c2s1)C=Cc3ccccc3 271570a_100102527694_100010235960 [0,0,1,1,0,0|2,0,0]=4 190 B20R3.14321 O=C1Cc2c(cccc2N1)C=Cc3ccccc3 271570a_100102527694_100009816812 [0,0,1,1,0,0|1,0,0]=3 191 B20R3.14321 O=C1Cc2c(cccc2N1)C=Cc3cccnc3 271570a_100102525586_100009816812 [0,0,1,1,0,0|2,0,0]=4 192 B20R3.14321 O=C1Cc2c(ccnc2N1)C=Cc3ccccc3 271570a_100102527694_100000104061 [0,0,1,1,0,0|2,0,0]=4 193 B20R3.14321 O=C1Cc2cccc(c2C1)C=Cc3ccccc3 271570a_100102527694_100010205903 [0,0,1,1,0,0|2,0,0]=4 194 B20R3.14321 O=C1Cc2cccc(c2N1)C=Cc3ccccc3 271570a_100102527694_100000767046 [0,0,1,1,0,0|1,0,0]=3 195 B20R3.14321 O=C1Cc2cccc(c2N1)C=Cc3cccnc3 271570a_100102525586_100000767046 [0,0,1,1,0,0|2,0,0]=4 196 B20R3.14321 O=c1[nH]c2cccc(c2o1)C=Cc3ccccc3 271570a_100102527694_100012360093 [0,0,1,1,0,0|1,0,0]=3 197 B20R3.14321 O=c1[nH]c2cccc(c2o1)C=Cc3cccnc3 271570a_100102525586_100012360093 [0,0,1,1,0,0|2,0,0]=4 198 B20R3.14321 O=c1[nH]c2nccc(c2[nH]1)C=Cc3ccccc3 271570a_100102527694_100009840862 [0,0,1,1,0,0|1,0,0]=3 199 B20R3.14321 O=c1[nH]c2nccc(c2[nH]1)C=Cc3cccnc3 271570a_100102525586_100009840862 [0,0,1,1,0,0|2,0,0]=4 200 B20R3.14321 Oc1nc2c(cccc2[nH]1)C=Cc3ccccc3 271570a_100102527694_100012347640 [0,0,1,1,0,0|0,0,2]=4 201 B18R2.7138 CC(=O)c1ccccc1C=Cc2ccccc2 271570a_100102527694_100000751169 [0,0,1,0,1,0|1,0,0]=3 202 B18R2.7138 CC(=O)c1ccccc1C=Cc2cccnc2 271570a_100102525586_100000751169 [0,0,1,0,1,0|2,0,0]=4 203 B18R2.7138 CC(=O)c1cccnc1C=Cc2ccccc2 271570a_100102527694_100000753718 [0,0,1,0,1,0|2,0,0]=4 204 B18R2.7138 CC(=O)c1ccncc1C=Cc2ccccc2 271570a_100102527694_100009993184 [0,0,1,0,1,0|2,0,0]=4 205 B18R2.7138 CC(=O)c1cnccc1C=Cc2ccccc2 271570a_100102527694_100160469449 [0,0,1,0,1,0|2,0,0]=4 206 B18R2.7138 CC(=O)c1ncccc1C=Cc2ccccc2 271570a_100102527694_100012348690 [0,0,1,0,1,0|2,0,0]=4 207 B18R2.7138 CC(N)c1ccccc1C=Cc2ccccc2 271570a_100102527694_100000181357 [0,0,1,0,1,0|1,0,1]=4 208 B18R2.7138 CS(=O)c1ccccc1C=Cc2ccccc2 271570a_100102527694_100000734199 [0,0,1,0,1,0|2,0,0]=4 209 B18R2.7138 NC(=O)c1ccccc1C#Cc2ccccc2 271570a_100000069678_100000162227 [0,0,1,0,1,0|0,0,2]=4 210 B18R2.7138 NC(=O)c1ccccc1C=Cc2ccccc2 271570a_100102527694_100000162227 [0,0,1,0,1,0|0,0,0]=2 211 B18R2.7138 NC(=O)c1ccccc1C=Cc2cccnc2 271570a_100102525586_100000162227 [0,0,1,0,1,0|1,0,0]=3 212 B18R2.7138 NC(=O)c1ccccc1NCc2ccccc2 207a_100000185089_100015611070 [0,0,1,0,1,0|1,0,1]=4 213 B18R2.7138 NC(=O)c1ccccc1NCc2ccccc2 34a_100000185089_100015291786 [0,0,1,0,1,0|1,0,1]=4 214 B18R2.7138 NC(=O)c1ccccc1OCc2ccccc2 34a_100000192804_100015291786 [0,0,1,0,1,0|1,0,1]=4 215 B18R2.7138 NC(=O)c1ccccc1OCc2ccccc2 7a_100000192804_100000211182 [0,0,1,0,1,0|1,0,1]=4 216 B18R2.7138 NC(=O)c1ccccc1SCc2ccccc2 62a_100000162227_100015291786 [0,0,1,0,1,0|1,0,1]=4 217 B18R2.7138 NC(=O)c1ccccc1SCc2ccccc2 62a_100000211182_100000162227 [0,0,1,0,1,0|1,0,1]=4 218 B18R2.7138 NC(=O)c1cccnc1C=Cc2ccccc2 271570a_100102527694_100000162199 [0,0,1,0,1,0|1,0,0]=3 219 B18R2.7138 NC(=O)c1cccnc1C=Cc2cccnc2 271570a_100102525586_100000162199 [0,0,1,0,1,0|2,0,0]=4 220 B18R2.7138 NC(=O)c1ccncc1C=Cc2ccccc2 271570a_100102527694_100010205435 [0,0,1,0,1,0|1,0,0]=3 221 B18R2.7138 NC(=O)c1ccncc1C=Cc2cccnc2 271570a_100102525586_100010205435 [0,0,1,0,1,0|2,0,0]=4 222 B18R2.7138 NC(=O)c1cnccc1C=Cc2ccccc2 271570a_100102527694_100000697804 [0,0,1,0,1,0|1,0,0]=3 223 B18R2.7138 NC(=O)c1cnccc1C=Cc2cccnc2 271570a_100102525586_100000697804 [0,0,1,0,1,0|2,0,0]=4 224 B18R2.7138 NC(=O)c1ncccc1C=Cc2ccccc2 271570a_100102527694_200012359670 [0,0,1,0,1,0|1,0,0]=3 225 B18R2.7138 NC(=O)c1ncccc1C=Cc2cccnc2 271570a_100102525586_200012359670 [0,0,1,0,1,0|2,0,0]=4 226 B18R2.7138 NC(=O)c1nccnc1C=Cc2ccccc2 271570a_100102527694_100000094861 [0,0,1,0,1,0|2,0,0]=4 227 B18R2.7181 CC(=O)Nc1ccccc1Cc2ccccc2 11a_100000211252_100015343762 [0,0,1,0,1,0|1,0,1]=4 228 B18R2.7181 CC(=O)Nc1ccccc1Cc2ccccc2 1626a_100000211252_100015343762 [0,0,1,0,1,0|1,0,1]=4 229 B18R2.7181 CC(=O)Nc1ccccc1Cc2ccccc2 22a_100000211252_100000070787 [0,0,1,0,1,0|1,0,1]=4 230 B18R2.7181 CC(=O)Nc1ccccc1Oc2ccccc2 11a_100000182328_100015343762 [0,0,1,0,1,0|2,0,0]=4 231 B18R2.7181 CC(=O)Nc1ccccc1Oc2ccccc2 1626a_100000182328_100015343762 [0,0,1,0,1,0|2,0,0]=4 232 B18R2.7181 CC(=O)Nc1ccccc1Oc2ccccc2 22a_100000182328_100000070787 [0,0,1,0,1,0|2,0,0]=4 233 B18R2.7181 CC(=O)Nc1ccccc1Sc2ccccc2 11a_100000210917_100015343762 [0,0,1,0,1,0|2,0,0]=4 234 B18R2.7181 CC(=O)Nc1ccccc1Sc2ccccc2 1626a_100000210917_100015343762 [0,0,1,0,1,0|2,0,0]=4 235 B18R2.7181 CC(=O)Nc1ccccc1Sc2ccccc2 22a_100000210917_100000070787 [0,0,1,0,1,0|2,0,0]=4 236 B18R2.7181 CC(=O)Nc1ccccc1Sc2ccccc2 62a_100000719477_100000153524 [0,0,1,0,1,0|2,0,0]=4 237 B18R2.7181 NC(=O)Cc1ccccc1Sc2ccccc2 62a_100000719477_200009814924 [0,0,1,0,1,0|2,0,0]=4 238 B18R2.7181 NC(=O)Cc1ccccc1Sc2ccccc2 62a_200009814924_100000041952 [0,0,1,0,1,0|2,0,0]=4 239 B18R2.7181 NC(=O)Nc1ccccc1Sc2ccccc2 62a_100000719477_100000742221 [0,0,1,0,1,0|1,0,0]=3 240 B18R2.7181 NC(=O)Nc1ccccc1Sc2ccccn2 62a_100011216584_100000742221 [0,0,1,0,1,0|2,0,0]=4 241 B18R2.7181 NC(=O)Nc1ccccc1Sc2cccnc2 62a_100000210063_100000742221 [0,0,1,0,1,0|2,0,0]=4 242 B18R2.7181 NC(=O)Nc1ccccc1Sc2ccncc2 62a_100000728582_100000742221 [0,0,1,0,1,0|2,0,0]=4 243 B18R3.220425 C=Cc1c2ccccc2cc3c1cccc3 271570a_100011290941_100000185772 [1,0,0,0,1,0|2,0,0]=4 244 B18R3.993175 CC(=O)C1c2ccccc2-c3c1cccc3 1458a_100000182576_200000210301 [0,0,0,0,2,0|2,0,0]=4 245 B18R3.993175 [13CH3]C(=O)C1c2ccccc2-c3c1cccc3 1458a_100000182576_200025704644 [0,0,0,0,2,0|2,0,0]=4 246 B20R2.10555 CC(=O)NCc1ccccc1C=Cc2ccccc2 271570a_100102527694_100011237613 [0,0,1,0,0,1|1,0,0]=3 247 B20R2.10555 CC(=O)NCc1ccccc1C=Cc2cccnc2 271570a_100102525586_100011237613 [0,0,1,0,0,1|2,0,0]=4 248 B20R2.10555 NC(=O)CCc1ccccc1C=Cc2ccccc2 271570a_100102527694_100009814947 [0,0,1,0,0,1|1,0,0]=3 249 B20R2.10555 NC(=O)CCc1ccccc1C=Cc2cccnc2 271570a_100102525586_100009814947 [0,0,1,0,0,1|2,0,0]=4 250 B20R2.10555 NC(=O)CNc1ccccc1C#Cc2ccccc2 2230a_100000044502_100000747473 [0,0,1,0,0,1|0,0,2]=4 251 B20R2.10555 NC(=O)CNc1ccccc1C#Cc2ccccc2 34a_100000044502_100000187820 [0,0,1,0,0,1|0,0,2]=4 252 B20R2.10555 NC(=O)CNc1ccccc1COc2ccccc2 2230a_100000742786_100000747473 [0,0,1,0,0,1|1,0,1]=4 253 B20R2.10555 NC(=O)CNc1ccccc1COc2ccccc2 34a_100000742786_100000187820 [0,0,1,0,0,1|1,0,1]=4 254 B20R2.10555 NC(=O)CNc1ccccc1COc2ccccc2 7a_100000742786_100000187820 [0,0,1,0,0,1|1,0,1]=4 255 B20R2.10555 NC(=O)CNc1ccccc1OCc2ccccc2 34a_100011193923_100000187820 [0,0,1,0,0,1|1,0,1]=4 256 B20R2.10555 NC(=O)CNc1ccccc1SCc2ccccc2 34a_100000198535_100000187820 [0,0,1,0,0,1|1,0,1]=4 257 B20R2.10555 NC(=O)CNc1ccccc1SCc2ccccc2 7a_100000198535_100000187820 [0,0,1,0,0,1|1,0,1]=4 258 B20R2.10555 NC(=O)COc1ccccc1C=Cc2ccccc2 271570a_100102527694_200000148491 [0,0,1,0,0,1|1,0,0]=3 259 B20R2.10555 NC(=O)COc1ccccc1C=Cc2ccccn2 34a_200021180701_100000187820 [0,0,1,0,0,1|2,0,0]=4 260 B20R2.10555 NC(=O)COc1ccccc1C=Cc2cccnc2 271570a_100102525586_200000148491 [0,0,1,0,0,1|2,0,0]=4 261 B20R2.17796 CC(=O)Cc1ccccc1C=CCc2ccccc2 271570a_200016263579_100011350739 [0,0,1,0,0,1|2,0,0]=4 262 B20R2.17796 CC(=O)Nc1ccccc1C=CCc2ccccc2 271570a_200016263579_100000153524 [0,0,1,0,0,1|1,0,0]=3 263 B20R2.17796 CC(=O)Nc1ccccc1C=NNc2ccccc2 4a_100015195140_100000059780 [0,0,1,0,0,1|2,0,0]=4 264 B20R2.17796 CC(=O)Nc1ccncc1C=CCc2ccccc2 271570a_200016263579_100016132053 [0,0,1,0,0,1|2,0,0]=4 265 B20R2.17796 CC(=O)Oc1ccccc1C=CCc2ccccc2 271570a_200016263579_100000051690 [0,0,1,0,0,1|2,0,0]=4 266 B20R2.17796 NC(=O)Cc1ccccc1C=CCc2ccccc2 271570a_200016263579_200009814924 [0,0,1,0,0,1|1,0,0]=3 267 B20R2.17796 NC(=O)Nc1ccccc1C=CCc2ccccc2 271570a_200016263579_100000742221 [0,0,1,0,0,1|0,0,0]=2 268 B20R2.17796 NC(=O)Nc1ccccc1SCCc2ccccc2 62a_100000765856_100000742221 [0,0,1,0,0,1|0,0,2]=4 269 B20R2.17796 NC(=O)Nc1ccccc1SCSc2ccccc2 62a_100011218342_100000742221 [0,0,1,0,0,1|1,0,1]=4 270 B20R2.290374 C=Cc1ccccc1SC(C(=O)C)c2ccccc2 62a_100009888967_100011218376 [0,0,1,0,0,1|2,0,0]=4 271 B20R2.290374 C=Cc1ccccc1SC(C(=O)C)c2ccccc2 62a_100011218376_100009888967 [0,0,1,0,0,1|2,0,0]=4 272 B20R2.290374 C=Cc1ccccc1SC(C(=O)N)c2ccccc2 62a_100000188848_100011218376 [0,0,1,0,0,1|1,0,0]=3 273 B20R2.290374 C=Cc1ccccc1SC(C(=O)N)c2ccccc2 62a_100011218376_100000188848 [0,0,1,0,0,1|1,0,0]=3 274 B20R2.290374 NC(=O)C(Sc1ccccc1C=O)c2ccccc2 62a_100000188848_100000210073 [0,0,1,0,0,1|2,0,0]=4 275 B20R2.290374 NC(=O)C(Sc1ccccc1C=O)c2ccccc2 62a_100000210073_100000188848 [0,0,1,0,0,1|2,0,0]=4 276 B20R3.5148346 CC(=O)Cc1c2ccccc2cc3c1cccc3 1458a_100000070787_100009992879 [0,0,0,0,1,1|2,0,0]=4 277 B20R3.5148346 CC(=O)Nc1c2ccccc2cc3c1cccc3 11a_100009882017_100015343762 [0,0,0,0,1,1|2,0,0]=4 278 B20R3.5148346 CC(=O)Nc1c2ccccc2cc3c1cccc3 1626a_100009882017_100015343762 [0,0,0,0,1,1|2,0,0]=4 279 B20R3.5148346 CC(=O)Nc1c2ccccc2cc3c1cccc3 22a_100009882017_100000070787 [0,0,0,0,1,1|2,0,0]=4 280 B22R3.12307660 NC(=O)COC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000187820 [0,0,0,0,0,2|1,0,0]=3