0 B20R2.2983 COc1cc(ccc1C(=NNc2ccccc2)C)O 4a_100015195140_100000116857 [1,0,0,0,0,0|3,0,0]=4 1 B20R2.2983 COc1cc(ccc1C(=O)CCc2ccccc2)Br 1458a_100000748230_100000765856 [1,0,0,0,0,0|1,0,2]=4 2 B20R2.2983 COc1cc(ccc1C(=O)CCc2ccccc2)C 1458a_100000217210_100000765856 [1,0,0,0,0,0|1,0,2]=4 3 B20R2.2983 COc1cc(ccc1C(=O)CCc2ccccc2)Cl 1458a_100000217211_100000765856 [1,0,0,0,0,0|1,0,2]=4 4 B20R2.2983 COc1cc(ccc1C(=O)CCc2ccccc2)F 1458a_100000239970_100000765856 [1,0,0,0,0,0|1,0,2]=4 5 B20R2.2983 COc1cc(ccc1C(=O)CCc2ccccc2)I 1458a_100012353712_100000765856 [1,0,0,0,0,0|1,0,2]=4 6 B20R2.2983 COc1cc(ccc1C(=O)COc2ccccc2)Cl 7a_100000210340_100012344415 [1,0,0,0,0,0|2,0,1]=4 7 B20R2.2983 COc1cc(ccc1C(=O)CSc2ccccc2)Cl 62a_100012344415_100000041952 [1,0,0,0,0,0|2,0,1]=4 8 B20R2.2983 COc1cc(ccc1C(=O)NCc2ccccc2)Br 11a_100015324214_100000748230 [1,0,0,0,0,0|2,0,1]=4 9 B20R2.2983 COc1cc(ccc1C(=O)NCc2ccccc2)Br 1626a_100015324214_100000748230 [1,0,0,0,0,0|2,0,1]=4 10 B20R2.2983 COc1cc(ccc1C(=O)NCc2ccccc2)Br 240690a_100015324214_100000748230 [1,0,0,0,0,0|2,0,1]=4 11 B20R2.2983 COc1cc(ccc1C(=O)NCc2ccccc2)Br 527a_100015324214_100000748230 [1,0,0,0,0,0|2,0,1]=4 12 B20R2.2983 COc1cc(ccc1C(=O)NCc2ccccc2)C 11a_100015324214_100000217210 [1,0,0,0,0,0|2,0,1]=4 13 B20R2.2983 COc1cc(ccc1C(=O)NCc2ccccc2)C 1626a_100015324214_100000217210 [1,0,0,0,0,0|2,0,1]=4 14 B20R2.2983 COc1cc(ccc1C(=O)NCc2ccccc2)C 240690a_100015324214_100000217210 [1,0,0,0,0,0|2,0,1]=4 15 B20R2.2983 COc1cc(ccc1C(=O)NCc2ccccc2)C 527a_100015324214_100000217210 [1,0,0,0,0,0|2,0,1]=4 16 B20R2.2983 COc1cc(ccc1C(=O)NCc2ccccc2)Cl 11a_100015324214_100000217211 [1,0,0,0,0,0|2,0,1]=4 17 B20R2.2983 COc1cc(ccc1C(=O)NCc2ccccc2)Cl 1626a_100015324214_100000217211 [1,0,0,0,0,0|2,0,1]=4 18 B20R2.2983 COc1cc(ccc1C(=O)NCc2ccccc2)Cl 240690a_100015324214_100000217211 [1,0,0,0,0,0|2,0,1]=4 19 B20R2.2983 COc1cc(ccc1C(=O)NCc2ccccc2)Cl 527a_100015324214_100000217211 [1,0,0,0,0,0|2,0,1]=4 20 B20R2.2983 COc1cc(ccc1C(=O)NCc2ccccc2)F 11a_100015324214_100000239970 [1,0,0,0,0,0|2,0,1]=4 21 B20R2.2983 COc1cc(ccc1C(=O)NCc2ccccc2)F 1626a_100015324214_100000239970 [1,0,0,0,0,0|2,0,1]=4 22 B20R2.2983 COc1cc(ccc1C(=O)NCc2ccccc2)F 240690a_100015324214_100000239970 [1,0,0,0,0,0|2,0,1]=4 23 B20R2.2983 COc1cc(ccc1C(=O)NCc2ccccc2)F 527a_100015324214_100000239970 [1,0,0,0,0,0|2,0,1]=4 24 B20R2.2983 COc1cc(ccc1C(=O)NCc2ccccc2)I 11a_100015324214_100012353712 [1,0,0,0,0,0|2,0,1]=4 25 B20R2.2983 COc1cc(ccc1C(=O)NCc2ccccc2)I 1626a_100015324214_100012353712 [1,0,0,0,0,0|2,0,1]=4 26 B20R2.2983 COc1cc(ccc1C(=O)NCc2ccccc2)I 240690a_100015324214_100012353712 [1,0,0,0,0,0|2,0,1]=4 27 B20R2.2983 COc1cc(ccc1C(=O)NCc2ccccc2)I 527a_100015324214_100012353712 [1,0,0,0,0,0|2,0,1]=4 28 B20R2.2983 COc1cc(ccc1C(=O)NNc2ccccc2)Br 22a_100015195140_100000748230 [1,0,0,0,0,0|3,0,0]=4 29 B20R2.2983 COc1cc(ccc1C(=O)NNc2ccccc2)C 22a_100015195140_100000217210 [1,0,0,0,0,0|3,0,0]=4 30 B20R2.2983 COc1cc(ccc1C(=O)NNc2ccccc2)Cl 22a_100015195140_100000217211 [1,0,0,0,0,0|3,0,0]=4 31 B20R2.2983 COc1cc(ccc1C(=O)NNc2ccccc2)F 22a_100015195140_100000239970 [1,0,0,0,0,0|3,0,0]=4 32 B20R2.2983 COc1cc(ccc1C(=O)NNc2ccccc2)I 22a_100015195140_100012353712 [1,0,0,0,0,0|3,0,0]=4 33 B20R2.8972 COc1cc(cc(c1C=CCc2ccccc2)F)Br 271570a_200016263579_100010713143 [1,0,0,0,0,0|2,0,1]=4 34 B20R2.23087 Cc1cc(c(c(c1)O)C(=O)CCc2ccccc2)C 1458a_100011255216_100000765856 [1,0,0,0,0,0|1,0,2]=4 35 B20R2.23087 Cc1cc(c(c(c1)O)C(=O)CCc2ccccc2)O 1458a_100000036929_100000765856 [1,0,0,0,0,0|1,0,2]=4 36 B20R2.23087 Cc1cc(c(c(c1)O)C(=O)NCc2ccccc2)O 527a_100015324214_100000036929 [1,0,0,0,0,0|2,0,1]=4 37 B20R2.23087 Cc1cc(c(c(c1)O)C(=O)NNc2ccccc2)C 22a_100015195140_100011255216 [1,0,0,0,0,0|3,0,0]=4 38 B20R2.23087 Cc1cc(cc(c1C(=O)CCc2ccccc2)C)O 1458a_100000066486_100000765856 [1,0,0,0,0,0|1,0,2]=4 39 B20R2.23087 Cc1cc(cc(c1C(=O)CCc2ccccc2)O)O 1458a_200000061528_100000765856 [1,0,0,0,0,0|0,0,2]=3 40 B20R2.23087 Cc1cc(cc(c1C(=O)CCc2ccccn2)O)O 1458a_200000061528_100015183660 [1,0,0,0,0,0|1,0,2]=4 41 B20R2.23087 Cc1cc(cc(c1C(=O)CCc2cccnc2)O)O 1458a_200000061528_200011713674 [1,0,0,0,0,0|1,0,2]=4 42 B20R2.23087 Cc1cc(cc(c1C(=O)CCc2ccncc2)O)O 1458a_200000061528_100000723409 [1,0,0,0,0,0|1,0,2]=4 43 B20R2.23087 Cc1cc(cc(c1C(=O)NCc2ccccc2)C)O 240690a_100015324214_100000066486 [1,0,0,0,0,0|2,0,1]=4 44 B20R2.23087 Cc1cc(cc(c1C(=O)NNc2ccccc2)C)O 22a_100015195140_100000066486 [1,0,0,0,0,0|3,0,0]=4 45 B20R2.23087 O=C(NCc1ccccc1)c2c(cc(cc2O)O)O 527a_100015324214_100000040092 [1,0,0,0,0,0|1,0,1]=3 46 B20R2.23087 O=C(NCc1ccccn1)c2c(cc(cc2O)O)O 527a_100000210449_100000040092 [1,0,0,0,0,0|2,0,1]=4 47 B20R2.23087 O=C(NCc1cccnc1)c2c(cc(cc2O)O)O 527a_100000210453_100000040092 [1,0,0,0,0,0|2,0,1]=4 48 B20R2.23087 O=C(NCc1ccncc1)c2c(cc(cc2O)O)O 527a_100000210450_100000040092 [1,0,0,0,0,0|2,0,1]=4 49 B20R2.273166 COc1cccc(c1C(=NNc2ccccc2)C)O 4a_100015195140_100000691520 [1,0,0,0,0,0|3,0,0]=4 50 B20R2.273166 COc1cccc(c1C(=O)CCc2ccccc2)Br 1458a_100011593405_100000765856 [1,0,0,0,0,0|1,0,2]=4 51 B20R2.273166 COc1cccc(c1C(=O)CCc2ccccc2)C 1458a_100000066212_100000765856 [1,0,0,0,0,0|1,0,2]=4 52 B20R2.273166 COc1cccc(c1C(=O)CCc2ccccc2)Cl 1458a_100000743539_100000765856 [1,0,0,0,0,0|1,0,2]=4 53 B20R2.273166 COc1cccc(c1C(=O)CCc2ccccc2)F 1458a_100000759380_100000765856 [1,0,0,0,0,0|1,0,2]=4 54 B20R2.273166 COc1cccc(c1C(=O)CCc2ccccc2)I 1458a_100010179659_100000765856 [1,0,0,0,0,0|1,0,2]=4 55 B20R2.273166 COc1cccc(c1C(=O)CCc2ccccc2)O 1458a_100000043310_100000765856 [1,0,0,0,0,0|0,0,2]=3 56 B20R2.273166 COc1cccc(c1C(=O)CCc2ccccn2)O 1458a_100000043310_100015183660 [1,0,0,0,0,0|1,0,2]=4 57 B20R2.273166 COc1cccc(c1C(=O)CCc2cccnc2)O 1458a_100000043310_200011713674 [1,0,0,0,0,0|1,0,2]=4 58 B20R2.273166 COc1cccc(c1C(=O)CCc2ccncc2)O 1458a_100000043310_100000723409 [1,0,0,0,0,0|1,0,2]=4 59 B20R2.273166 COc1cccc(c1C(=O)CNc2ccccc2)Cl 34a_100000106764_100010768284 [1,0,0,0,0,0|2,0,1]=4 60 B20R2.273166 COc1cccc(c1C(=O)COc2ccccc2)Cl 34a_100000210340_100010768284 [1,0,0,0,0,0|2,0,1]=4 61 B20R2.273166 COc1cccc(c1C(=O)CSc2ccccc2)Cl 62a_100010768284_100000041952 [1,0,0,0,0,0|2,0,1]=4 62 B20R2.273166 COc1cccc(c1C(=O)NCc2ccccc2)Br 11a_100015324214_100011593405 [1,0,0,0,0,0|2,0,1]=4 63 B20R2.273166 COc1cccc(c1C(=O)NCc2ccccc2)Br 1626a_100015324214_100011593405 [1,0,0,0,0,0|2,0,1]=4 64 B20R2.273166 COc1cccc(c1C(=O)NCc2ccccc2)Br 240690a_100015324214_100011593405 [1,0,0,0,0,0|2,0,1]=4 65 B20R2.273166 COc1cccc(c1C(=O)NCc2ccccc2)Br 527a_100015324214_100011593405 [1,0,0,0,0,0|2,0,1]=4 66 B20R2.273166 COc1cccc(c1C(=O)NCc2ccccc2)C 11a_100015324214_100000066212 [1,0,0,0,0,0|2,0,1]=4 67 B20R2.273166 COc1cccc(c1C(=O)NCc2ccccc2)C 1626a_100015324214_100000066212 [1,0,0,0,0,0|2,0,1]=4 68 B20R2.273166 COc1cccc(c1C(=O)NCc2ccccc2)C 240690a_100015324214_100000066212 [1,0,0,0,0,0|2,0,1]=4 69 B20R2.273166 COc1cccc(c1C(=O)NCc2ccccc2)Cl 11a_100015324214_100000743539 [1,0,0,0,0,0|2,0,1]=4 70 B20R2.273166 COc1cccc(c1C(=O)NCc2ccccc2)Cl 1626a_100015324214_100000743539 [1,0,0,0,0,0|2,0,1]=4 71 B20R2.273166 COc1cccc(c1C(=O)NCc2ccccc2)Cl 240690a_100015324214_100000743539 [1,0,0,0,0,0|2,0,1]=4 72 B20R2.273166 COc1cccc(c1C(=O)NCc2ccccc2)Cl 527a_100015324214_100000743539 [1,0,0,0,0,0|2,0,1]=4 73 B20R2.273166 COc1cccc(c1C(=O)NCc2ccccc2)F 11a_100015324214_100000759380 [1,0,0,0,0,0|2,0,1]=4 74 B20R2.273166 COc1cccc(c1C(=O)NCc2ccccc2)F 1626a_100015324214_100000759380 [1,0,0,0,0,0|2,0,1]=4 75 B20R2.273166 COc1cccc(c1C(=O)NCc2ccccc2)F 240690a_100015324214_100000759380 [1,0,0,0,0,0|2,0,1]=4 76 B20R2.273166 COc1cccc(c1C(=O)NCc2ccccc2)F 527a_100015324214_100000759380 [1,0,0,0,0,0|2,0,1]=4 77 B20R2.273166 COc1cccc(c1C(=O)NCc2ccccc2)I 11a_100015324214_100010179659 [1,0,0,0,0,0|2,0,1]=4 78 B20R2.273166 COc1cccc(c1C(=O)NCc2ccccc2)I 1626a_100015324214_100010179659 [1,0,0,0,0,0|2,0,1]=4 79 B20R2.273166 COc1cccc(c1C(=O)NCc2ccccc2)I 240690a_100015324214_100010179659 [1,0,0,0,0,0|2,0,1]=4 80 B20R2.273166 COc1cccc(c1C(=O)NCc2ccccc2)I 527a_100015324214_100010179659 [1,0,0,0,0,0|2,0,1]=4 81 B20R2.273166 COc1cccc(c1C(=O)NCc2ccccc2)O 240690a_100015324214_100000043310 [1,0,0,0,0,0|1,0,1]=3 82 B20R2.273166 COc1cccc(c1C(=O)NCc2ccccn2)O 240690a_100000210449_100000043310 [1,0,0,0,0,0|2,0,1]=4 83 B20R2.273166 COc1cccc(c1C(=O)NCc2cccnc2)O 240690a_100000210453_100000043310 [1,0,0,0,0,0|2,0,1]=4 84 B20R2.273166 COc1cccc(c1C(=O)NCc2ccncc2)O 240690a_100000210450_100000043310 [1,0,0,0,0,0|2,0,1]=4 85 B20R2.273166 COc1cccc(c1C(=O)NNc2ccccc2)Br 22a_100015195140_100011593405 [1,0,0,0,0,0|3,0,0]=4 86 B20R2.273166 COc1cccc(c1C(=O)NNc2ccccc2)C 22a_100015195140_100000066212 [1,0,0,0,0,0|3,0,0]=4 87 B20R2.273166 COc1cccc(c1C(=O)NNc2ccccc2)Cl 22a_100015195140_100000743539 [1,0,0,0,0,0|3,0,0]=4 88 B20R2.273166 COc1cccc(c1C(=O)NNc2ccccc2)F 22a_100015195140_100000759380 [1,0,0,0,0,0|3,0,0]=4 89 B20R2.273166 COc1cccc(c1C(=O)NNc2ccccc2)I 22a_100015195140_100010179659 [1,0,0,0,0,0|3,0,0]=4 90 B20R2.273166 COc1cccc(c1C(=O)NNc2ccccc2)O 22a_100015195140_100000043310 [1,0,0,0,0,0|2,0,0]=3 91 B20R2.273166 COc1cccc(c1C(=O)NNc2ccccn2)O 22a_100000183288_100000043310 [1,0,0,0,0,0|3,0,0]=4 92 B20R2.273166 COc1cccc(c1C(=O)NNc2cccnc2)O 22a_100000728903_100000043310 [1,0,0,0,0,0|3,0,0]=4 93 B20R2.273166 COc1cccc(c1C(=O)NNc2ccncc2)O 22a_100000698918_100000043310 [1,0,0,0,0,0|3,0,0]=4 94 B20R2.8962 COc1cc(cc(c1C(=O)Cc2ccccc2)C)C 1458a_200012180181_100015291786 [0,0,0,0,1,0|2,0,1]=4 95 B20R2.8962 COc1cc(cc(c1C(=O)Cc2ccccc2)F)Br 1458a_100010734140_100015291786 [0,0,0,0,1,0|2,0,1]=4 96 B20R2.8962 COc1cc(cc(c1C(=O)Cc2ccccc2)F)C 1458a_200010768512_100015291786 [0,0,0,0,1,0|2,0,1]=4 97 B20R2.8962 COc1cc(cc(c1C(=O)Nc2ccccc2)C)C 11a_100000106764_200012180181 [0,0,0,0,1,0|3,0,0]=4 98 B20R2.8962 COc1cc(cc(c1C(=O)Nc2ccccc2)C)C 1626a_100000106764_200012180181 [0,0,0,0,1,0|3,0,0]=4 99 B20R2.8962 COc1cc(cc(c1C(=O)Nc2ccccc2)C)C 22a_100000106764_200012180181 [0,0,0,0,1,0|3,0,0]=4 100 B20R2.8962 COc1cc(cc(c1C(=O)Nc2ccccc2)F)Br 11a_100000106764_100010734140 [0,0,0,0,1,0|3,0,0]=4 101 B20R2.8962 COc1cc(cc(c1C(=O)Nc2ccccc2)F)Br 22a_100000106764_100010734140 [0,0,0,0,1,0|3,0,0]=4 102 B20R2.8962 COc1cc(cc(c1C(=O)Nc2ccccc2)F)Br 527a_100000106764_100010734140 [0,0,0,0,1,0|3,0,0]=4 103 B20R2.8962 COc1cc(cc(c1C(=O)Nc2ccccc2)F)C 11a_100000106764_200010768512 [0,0,0,0,1,0|3,0,0]=4 104 B20R2.8962 COc1cc(cc(c1C(=O)Nc2ccccc2)F)C 1626a_100000106764_200010768512 [0,0,0,0,1,0|3,0,0]=4 105 B20R2.8962 COc1cc(cc(c1C(=O)Nc2ccccc2)F)C 22a_100000106764_200010768512 [0,0,0,0,1,0|3,0,0]=4 106 B20R2.8962 COc1cc(cc(c1C(=O)Nc2ccccc2)F)C 527a_100000106764_200010768512 [0,0,0,0,1,0|3,0,0]=4 107 B19R2.2815 COc1cc(ccc1C=CCc2ccccc2)Br 271570a_200016263579_100010245111 [2,0,0,0,0,0|1,0,1]=4 108 B19R2.2815 COc1cc(ccc1C=CCc2ccccc2)C 271570a_200016263579_100010200004 [2,0,0,0,0,0|1,0,1]=4 109 B19R2.2815 COc1cc(ccc1C=CCc2ccccc2)Cl 271570a_200016263579_100000050115 [2,0,0,0,0,0|1,0,1]=4 110 B19R2.2815 COc1cc(ccc1C=CCc2ccccc2)F 271570a_200016263579_100000757151 [2,0,0,0,0,0|1,0,1]=4 111 B19R2.2815 COc1cc(ccc1C=CCc2ccccc2)N 271570a_200016263579_100000765947 [2,0,0,0,0,0|1,0,1]=4 112 B19R2.2815 COc1cc(ccc1C=CCc2ccccc2)O 271570a_200016263579_100011827694 [2,0,0,0,0,0|0,0,1]=3 113 B19R2.2815 COc1cc(ccc1C=NNc2ccccc2)O 4a_100015195140_100000022264 [2,0,0,0,0,0|2,0,0]=4 114 B19R2.3421 COc1ccccc1C(=O)/C=C/c2ccccc2 7a_100016995325_200000210301 [2,0,0,0,0,0|0,0,0]=2 115 B19R2.3421 COc1ccccc1C(=O)CCc2ccccc2 1458a_100000185835_100000765856 [2,0,0,0,0,0|0,0,2]=4 116 B19R2.3421 COc1ccccc1C(=O)CCc2ccccc2 34a_100000620706_200000210301 [2,0,0,0,0,0|0,0,2]=4 117 B19R2.3421 COc1ccccc1C(=O)CCc2ccccc2 7a_100000620706_200000210301 [2,0,0,0,0,0|0,0,2]=4 118 B19R2.3421 COc1ccccc1C(=O)CNc2ccccc2 34a_100000106764_100000195505 [2,0,0,0,0,0|1,0,1]=4 119 B19R2.3421 COc1ccccc1C(=O)COc2ccccc2 34a_100000210340_100000195505 [2,0,0,0,0,0|1,0,1]=4 120 B19R2.3421 COc1ccccc1C(=O)COc2ccccc2 7a_100000210340_100000195505 [2,0,0,0,0,0|1,0,1]=4 121 B19R2.3421 COc1ccccc1C(=O)CSc2ccccc2 62a_100000195505_100000041952 [2,0,0,0,0,0|1,0,1]=4 122 B19R2.3421 COc1ccccc1C(=O)NCc2ccccc2 11a_100015324214_100000185835 [2,0,0,0,0,0|1,0,1]=4 123 B19R2.3421 COc1ccccc1C(=O)NCc2ccccc2 1626a_100015324214_100000185835 [2,0,0,0,0,0|1,0,1]=4 124 B19R2.3421 COc1ccccc1C(=O)NCc2ccccc2 240690a_100015324214_100000185835 [2,0,0,0,0,0|1,0,1]=4 125 B19R2.3421 COc1ccccc1C(=O)NCc2ccccc2 34a_100000153128_200000210301 [2,0,0,0,0,0|1,0,1]=4 126 B19R2.3421 COc1ccccc1C(=O)NCc2ccccc2 527a_100015324214_100000185835 [2,0,0,0,0,0|1,0,1]=4 127 B19R2.3421 COc1ccccc1C(=O)NCc2ccccc2 7a_100000153128_200000210301 [2,0,0,0,0,0|1,0,1]=4 128 B19R2.3421 COc1ccccc1C(=O)NNc2ccccc2 22a_100015195140_100000185835 [2,0,0,0,0,0|2,0,0]=4 129 B19R2.3421 COc1ccccc1C(=O)OCc2ccccc2 7a_100000000771_200000210301 [2,0,0,0,0,0|1,0,1]=4 130 B19R2.3421 [13CH3]Oc1ccccc1C(=O)/C=C/c2ccccc2 7a_100016995325_200025704644 [2,0,0,0,0,0|0,0,0]=2 131 B19R2.3421 [13CH3]Oc1ccccc1C(=O)CCc2ccccc2 34a_100000620706_200025704644 [2,0,0,0,0,0|0,0,2]=4 132 B19R2.3421 [13CH3]Oc1ccccc1C(=O)CCc2ccccc2 7a_100000620706_200025704644 [2,0,0,0,0,0|0,0,2]=4 133 B19R2.3421 [13CH3]Oc1ccccc1C(=O)NCc2ccccc2 34a_100000153128_200025704644 [2,0,0,0,0,0|1,0,1]=4 134 B19R2.3421 [13CH3]Oc1ccccc1C(=O)NCc2ccccc2 7a_100000153128_200025704644 [2,0,0,0,0,0|1,0,1]=4 135 B19R2.3421 [13CH3]Oc1ccccc1C(=O)OCc2ccccc2 7a_100000000771_200025704644 [2,0,0,0,0,0|1,0,1]=4 136 B19R2.4531 Cc1cc(ccc1C(=O)CCc2ccccc2)O 1458a_100000692822_100000765856 [2,0,0,0,0,0|0,0,2]=4 137 B19R2.4531 Cc1cc(ccc1C(=O)NCc2ccccc2)O 240690a_100015324214_100000692822 [2,0,0,0,0,0|1,0,1]=4 138 B19R2.4531 Cc1cc(ccc1C(=O)NCc2ccccc2)O 527a_100015324214_100000692822 [2,0,0,0,0,0|1,0,1]=4 139 B19R2.4531 O=C(CCc1ccccc1)c2ccc(cc2O)O 1458a_100000212172_100000765856 [2,0,0,0,0,0|0,0,2]=4 140 B19R2.4531 O=C(CNc1ccccc1)c2ccc(cc2O)O 34a_100000106764_100009814262 [2,0,0,0,0,0|1,0,1]=4 141 B19R2.4531 O=C(COc1ccccc1)c2ccc(cc2O)O 34a_100000210340_100009814262 [2,0,0,0,0,0|1,0,1]=4 142 B19R2.4531 O=C(COc1ccccc1)c2ccc(cc2O)O 7a_100000210340_100009814262 [2,0,0,0,0,0|1,0,1]=4 143 B19R2.4531 O=C(CSc1ccccc1)c2ccc(cc2O)O 62a_100000719477_100009814262 [2,0,0,0,0,0|1,0,1]=4 144 B19R2.4531 O=C(CSc1ccccc1)c2ccc(cc2O)O 62a_100009814262_100000041952 [2,0,0,0,0,0|1,0,1]=4 145 B19R2.4531 O=C(NNc1ccccc1)c2ccc(cc2O)O 22a_100015195140_100000212172 [2,0,0,0,0,0|2,0,0]=4 146 B19R2.887 COc1cccc(c1C=CCc2ccccc2)Br 271570a_200016263579_100010131421 [2,0,0,0,0,0|1,0,1]=4 147 B19R2.887 COc1cccc(c1C=CCc2ccccc2)F 271570a_200016263579_100000041735 [2,0,0,0,0,0|1,0,1]=4 148 B19R2.887 COc1cccc(c1C=CCc2ccccc2)N 271570a_200016263579_100000703447 [2,0,0,0,0,0|1,0,1]=4 149 B19R2.887 COc1cccc(c1C=CCc2ccccc2)O 271570a_200016263579_100010202623 [2,0,0,0,0,0|0,0,1]=3 150 B19R2.887 COc1cccc(c1C=NNc2ccccc2)O 4a_100015195140_100000022052 [2,0,0,0,0,0|2,0,0]=4 151 B19R2.60515 Cc1cc(c(c(c1)O)C=CCc2ccccc2)C 271570a_200016263579_100010342985 [2,0,0,0,0,0|1,0,1]=4 152 B19R2.60515 Cc1cc(cc(c1C=CCc2ccccc2)C)O 271570a_200016263579_100000243743 [2,0,0,0,0,0|1,0,1]=4 153 B19R2.60515 Cc1cc(cc(c1C=CCc2ccccc2)O)Cl 271570a_200016263579_100010254216 [2,0,0,0,0,0|1,0,1]=4 154 B19R2.60515 Cc1cc(cc(c1C=NNc2ccccc2)O)O 4a_100015195140_100000055135 [2,0,0,0,0,0|2,0,0]=4 155 B19R2.60515 Oc1cc(c(c(c1)O)C=CCc2ccccc2)O 271570a_200016263579_200010341185 [2,0,0,0,0,0|0,0,1]=3 156 B19R2.60515 Oc1cc(c(c(c1)O)C=NNc2ccccc2)O 4a_100015195140_100000039965 [2,0,0,0,0,0|2,0,0]=4 157 B19R2.61554 Cc1cccc(c1C(=O)CCc2ccccc2)O 1458a_100011934116_100000765856 [2,0,0,0,0,0|0,0,2]=4 158 B19R2.61554 Cc1cccc(c1C(=O)NNc2ccccc2)O 22a_100015195140_100011934116 [2,0,0,0,0,0|2,0,0]=4 159 B19R2.61554 O=C(CCc1ccccc1)c2c(cccc2O)O 1458a_100000755285_100000765856 [2,0,0,0,0,0|0,0,2]=4 160 B19R2.61554 O=C(NCc1ccccc1)c2c(cccc2O)O 527a_100015324214_100000755285 [2,0,0,0,0,0|1,0,1]=4 161 B21R3.3520 COc1cc(ccc1c2cc3ccccc3cn2)O 271570a_100010081579_100000047361 [1,0,0,1,0,0|2,0,0]=4 162 B21R3.3520 COc1cc(ccc1c2ccc3ccccc3c2)C 271570a_100010045234_100000233703 [1,0,0,1,0,0|2,0,0]=4 163 B21R3.3520 COc1cc(ccc1c2ccc3ccccc3c2)C 271570a_100011218693_100010200004 [1,0,0,1,0,0|2,0,0]=4 164 B21R3.3520 COc1cc(ccc1c2ccc3ccccc3c2)F 271570a_100011216706_100000233703 [1,0,0,1,0,0|2,0,0]=4 165 B21R3.3520 COc1cc(ccc1c2ccc3ccccc3c2)F 271570a_100011218693_100000757151 [1,0,0,1,0,0|2,0,0]=4 166 B21R3.3520 COc1cc(ccc1c2ccc3ccccc3c2)N 271570a_100011218693_100000765947 [1,0,0,1,0,0|2,0,0]=4 167 B21R3.3520 COc1cc(ccc1c2ccc3ccccc3c2)N 271570a_200010713017_100000233703 [1,0,0,1,0,0|2,0,0]=4 168 B21R3.3520 COc1cc(ccc1c2ccc3ccccc3c2)O 271570a_100010081579_100000233703 [1,0,0,1,0,0|1,0,0]=3 169 B21R3.3520 COc1cc(ccc1c2ccc3ccccc3c2)O 271570a_100011218693_100011827694 [1,0,0,1,0,0|1,0,0]=3 170 B21R3.3520 COc1cc(ccc1c2ccc3ccccc3n2)C 271570a_100010045234_100011291633 [1,0,0,1,0,0|2,0,0]=4 171 B21R3.3520 COc1cc(ccc1c2ccc3ccccc3n2)Cl 271570a_100010045236_100011291633 [1,0,0,1,0,0|2,0,0]=4 172 B21R3.3520 COc1cc(ccc1c2ccc3ccccc3n2)F 271570a_100011216706_100011291633 [1,0,0,1,0,0|2,0,0]=4 173 B21R3.3520 COc1cc(ccc1c2ccc3ccccc3n2)N 271570a_200010713017_100011291633 [1,0,0,1,0,0|2,0,0]=4 174 B21R3.3520 COc1cc(ccc1c2ccc3ccccc3n2)O 271570a_100010081579_100011291633 [1,0,0,1,0,0|1,0,0]=3 175 B21R3.3520 COc1cc(ccc1c2ccc3cccnc3c2)O 271570a_100010081579_100009816655 [1,0,0,1,0,0|2,0,0]=4 176 B21R3.3520 COc1cc(ccc1c2ccc3cccnc3c2)O 271570a_100012353946_100011827694 [1,0,0,1,0,0|2,0,0]=4 177 B21R3.3520 COc1cc(ccc1c2ccc3cccnc3n2)O 271570a_100010081579_100009888989 [1,0,0,1,0,0|2,0,0]=4 178 B21R3.3520 COc1cc(ccc1c2ccc3ccncc3c2)O 271570a_100000068421_100011827694 [1,0,0,1,0,0|2,0,0]=4 179 B21R3.3520 COc1cc(ccc1c2ccc3ccncc3c2)O 271570a_100010081579_100000686496 [1,0,0,1,0,0|2,0,0]=4 180 B21R3.3520 COc1cc(ccc1c2ccc3ccncc3n2)O 271570a_100010081579_100000020162 [1,0,0,1,0,0|2,0,0]=4 181 B21R3.3520 COc1cc(ccc1c2ccc3cnccc3c2)O 271570a_100000070448_100011827694 [1,0,0,1,0,0|2,0,0]=4 182 B21R3.3520 COc1cc(ccc1c2ccc3cnccc3c2)O 271570a_100010081579_100009816743 [1,0,0,1,0,0|2,0,0]=4 183 B21R3.3520 COc1cc(ccc1c2ccc3ncccc3c2)O 271570a_100010081579_100000754243 [1,0,0,1,0,0|2,0,0]=4 184 B21R3.3520 COc1cc(ccc1c2ccc3ncccc3c2)O 271570a_100012351079_100011827694 [1,0,0,1,0,0|2,0,0]=4 185 B21R3.3520 COc1cc(ccc1c2ccc3ncccc3n2)O 271570a_100010081579_100000073381 [1,0,0,1,0,0|2,0,0]=4 186 B21R3.3520 COc1cc(ccc1c2cnc3ccccc3c2)O 271570a_100010081579_100000737414 [1,0,0,1,0,0|2,0,0]=4 187 B21R3.3520 COc1cc(ccc1c2cnc3ccccc3c2)O 271570a_100012350238_100011827694 [1,0,0,1,0,0|2,0,0]=4 188 B21R3.3520 COc1cc(ccc1c2cnc3ccccc3n2)O 271570a_100010081579_100000756483 [1,0,0,1,0,0|2,0,0]=4 189 B21R3.3520 COc1cc(ccc1c2ncc3ccccc3n2)O 271570a_100010081579_100000097389 [1,0,0,1,0,0|2,0,0]=4 190 B21R3.46151 Cc1cc(c(c(c1)O)c2ccc3ccccc3c2)C 271570a_100010391161_100000233703 [1,0,0,1,0,0|2,0,0]=4 191 B21R3.46151 Cc1cc(c(c(c1)O)c2ccc3ccccc3c2)C 271570a_100011218693_100010342985 [1,0,0,1,0,0|2,0,0]=4 192 B21R3.46151 Cc1cc(c(c(c1)O)c2ccc3ccccc3n2)C 271570a_100010391161_100011291633 [1,0,0,1,0,0|2,0,0]=4 193 B21R3.46151 Cc1cc(cc(c1c2ccc3ccccc3c2)C)O 271570a_100011218693_100000243743 [1,0,0,1,0,0|2,0,0]=4 194 B21R3.46151 Oc1cc(c(c(c1)O)c2ccc3ccccc3c2)O 271570a_100011218693_200010341185 [1,0,0,1,0,0|1,0,0]=3 195 B21R3.46151 Oc1cc(c(c(c1)O)c2ccc3cccnc3c2)O 271570a_100012353946_200010341185 [1,0,0,1,0,0|2,0,0]=4 196 B21R3.46151 Oc1cc(c(c(c1)O)c2ccc3ccncc3c2)O 271570a_100000068421_200010341185 [1,0,0,1,0,0|2,0,0]=4 197 B21R3.46151 Oc1cc(c(c(c1)O)c2ccc3cnccc3c2)O 271570a_100000070448_200010341185 [1,0,0,1,0,0|2,0,0]=4 198 B21R3.46151 Oc1cc(c(c(c1)O)c2ccc3ncccc3c2)O 271570a_100012351079_200010341185 [1,0,0,1,0,0|2,0,0]=4 199 B21R3.46151 Oc1cc(c(c(c1)O)c2cnc3ccccc3c2)O 271570a_100012350238_200010341185 [1,0,0,1,0,0|2,0,0]=4 200 B21R3.727497 COc1cccc2c1c(=O)cc(o2)c3ccccc3 7a_100012083504_200000210301 [1,0,0,1,0,0|0,0,0]=2 201 B21R3.727497 [13CH3]Oc1cccc2c1c(=O)cc(o2)c3ccccc3 7a_100012083504_200025704644 [1,0,0,1,0,0|0,0,0]=2 202 B21R3.733169 COc1cccc2c1c(n[nH]2)C=Cc3ccccc3 271570a_100102527694_100010231497 [1,0,0,1,0,0|2,0,0]=4 203 B21R3.736433 COc1cccc(c1c2ccc3ccccc3c2)F 271570a_100010082979_100000233703 [1,0,0,1,0,0|2,0,0]=4 204 B21R3.736433 COc1cccc(c1c2ccc3ccccc3c2)F 271570a_100011218693_100000041735 [1,0,0,1,0,0|2,0,0]=4 205 B21R3.736433 COc1cccc(c1c2ccc3ccccc3c2)N 271570a_100011218693_100000703447 [1,0,0,1,0,0|2,0,0]=4 206 B21R3.736433 COc1cccc(c1c2ccc3ccccc3c2)O 271570a_100011218693_100010202623 [1,0,0,1,0,0|1,0,0]=3 207 B21R3.736433 COc1cccc(c1c2ccc3ccccc3n2)Cl 271570a_100000049456_100011291633 [1,0,0,1,0,0|2,0,0]=4 208 B21R3.736433 COc1cccc(c1c2ccc3ccccc3n2)F 271570a_100010082979_100011291633 [1,0,0,1,0,0|2,0,0]=4 209 B21R3.736433 COc1cccc(c1c2ccc3cccnc3c2)O 271570a_100012353946_100010202623 [1,0,0,1,0,0|2,0,0]=4 210 B21R3.736433 COc1cccc(c1c2ccc3ccncc3c2)O 271570a_100000068421_100010202623 [1,0,0,1,0,0|2,0,0]=4 211 B21R3.736433 COc1cccc(c1c2ccc3cnccc3c2)O 271570a_100000070448_100010202623 [1,0,0,1,0,0|2,0,0]=4 212 B21R3.736433 COc1cccc(c1c2ccc3ncccc3c2)O 271570a_100012351079_100010202623 [1,0,0,1,0,0|2,0,0]=4 213 B21R3.736433 COc1cccc(c1c2cnc3ccccc3c2)O 271570a_100012350238_100010202623 [1,0,0,1,0,0|2,0,0]=4 214 B19R2.2816 COc1cc(ccc1C(=O)Cc2ccccc2)Br 1458a_100000748230_100015291786 [1,0,0,0,1,0|1,0,1]=4 215 B19R2.2816 COc1cc(ccc1C(=O)Cc2ccccc2)C 1458a_100000217210_100015291786 [1,0,0,0,1,0|1,0,1]=4 216 B19R2.2816 COc1cc(ccc1C(=O)Cc2ccccc2)Cl 1458a_100000217211_100015291786 [1,0,0,0,1,0|1,0,1]=4 217 B19R2.2816 COc1cc(ccc1C(=O)Cc2ccccc2)F 1458a_100000239970_100015291786 [1,0,0,0,1,0|1,0,1]=4 218 B19R2.2816 COc1cc(ccc1C(=O)Cc2ccccc2)I 1458a_100012353712_100015291786 [1,0,0,0,1,0|1,0,1]=4 219 B19R2.2816 COc1cc(ccc1C(=O)Nc2ccccc2)Br 11a_100000106764_100000748230 [1,0,0,0,1,0|2,0,0]=4 220 B19R2.2816 COc1cc(ccc1C(=O)Nc2ccccc2)Br 1626a_100000106764_100000748230 [1,0,0,0,1,0|2,0,0]=4 221 B19R2.2816 COc1cc(ccc1C(=O)Nc2ccccc2)Br 22a_100000106764_100000748230 [1,0,0,0,1,0|2,0,0]=4 222 B19R2.2816 COc1cc(ccc1C(=O)Nc2ccccc2)Br 527a_100000106764_100000748230 [1,0,0,0,1,0|2,0,0]=4 223 B19R2.2816 COc1cc(ccc1C(=O)Nc2ccccc2)C 11a_100000106764_100000217210 [1,0,0,0,1,0|2,0,0]=4 224 B19R2.2816 COc1cc(ccc1C(=O)Nc2ccccc2)C 1626a_100000106764_100000217210 [1,0,0,0,1,0|2,0,0]=4 225 B19R2.2816 COc1cc(ccc1C(=O)Nc2ccccc2)C 22a_100000106764_100000217210 [1,0,0,0,1,0|2,0,0]=4 226 B19R2.2816 COc1cc(ccc1C(=O)Nc2ccccc2)C 527a_100000106764_100000217210 [1,0,0,0,1,0|2,0,0]=4 227 B19R2.2816 COc1cc(ccc1C(=O)Nc2ccccc2)Cl 11a_100000106764_100000217211 [1,0,0,0,1,0|2,0,0]=4 228 B19R2.2816 COc1cc(ccc1C(=O)Nc2ccccc2)Cl 1626a_100000106764_100000217211 [1,0,0,0,1,0|2,0,0]=4 229 B19R2.2816 COc1cc(ccc1C(=O)Nc2ccccc2)Cl 22a_100000106764_100000217211 [1,0,0,0,1,0|2,0,0]=4 230 B19R2.2816 COc1cc(ccc1C(=O)Nc2ccccc2)Cl 527a_100000106764_100000217211 [1,0,0,0,1,0|2,0,0]=4 231 B19R2.2816 COc1cc(ccc1C(=O)Nc2ccccc2)F 11a_100000106764_100000239970 [1,0,0,0,1,0|2,0,0]=4 232 B19R2.2816 COc1cc(ccc1C(=O)Nc2ccccc2)F 1626a_100000106764_100000239970 [1,0,0,0,1,0|2,0,0]=4 233 B19R2.2816 COc1cc(ccc1C(=O)Nc2ccccc2)F 22a_100000106764_100000239970 [1,0,0,0,1,0|2,0,0]=4 234 B19R2.2816 COc1cc(ccc1C(=O)Nc2ccccc2)F 527a_100000106764_100000239970 [1,0,0,0,1,0|2,0,0]=4 235 B19R2.2816 COc1cc(ccc1C(=O)Nc2ccccc2)I 11a_100000106764_100012353712 [1,0,0,0,1,0|2,0,0]=4 236 B19R2.2816 COc1cc(ccc1C(=O)Nc2ccccc2)I 1626a_100000106764_100012353712 [1,0,0,0,1,0|2,0,0]=4 237 B19R2.2816 COc1cc(ccc1C(=O)Nc2ccccc2)I 22a_100000106764_100012353712 [1,0,0,0,1,0|2,0,0]=4 238 B19R2.2816 COc1cc(ccc1C(=O)Nc2ccccc2)I 527a_100000106764_100012353712 [1,0,0,0,1,0|2,0,0]=4 239 B19R2.2816 COc1cc(ccc1C(=O)Nc2ccccc2)O 271570a_203496583355_200020631501 [1,0,0,0,1,0|1,0,0]=3 240 B19R2.7885 COc1cc(cc(c1C=Cc2ccccc2)F)Br 271570a_100102527694_100010713143 [1,0,0,0,1,0|2,0,0]=4 241 B19R2.60510 Cc1cc(c(c(c1)O)C(=O)Cc2ccccc2)C 1458a_100011255216_100015291786 [1,0,0,0,1,0|1,0,1]=4 242 B19R2.60510 Cc1cc(c(c(c1)O)C(=O)Cc2ccccc2)O 1458a_100000036929_100015291786 [1,0,0,0,1,0|1,0,1]=4 243 B19R2.60510 Cc1cc(c(c(c1)O)C(=O)Nc2ccccc2)C 22a_100000106764_100011255216 [1,0,0,0,1,0|2,0,0]=4 244 B19R2.60510 Cc1cc(c(c(c1)O)C(=O)Nc2ccccc2)O 527a_100000106764_100000036929 [1,0,0,0,1,0|2,0,0]=4 245 B19R2.60510 Cc1cc(cc(c1C(=O)Cc2ccccc2)C)O 1458a_100000066486_100015291786 [1,0,0,0,1,0|1,0,1]=4 246 B19R2.60510 Cc1cc(cc(c1C(=O)Cc2ccccc2)O)O 1458a_200000061528_100015291786 [1,0,0,0,1,0|0,0,1]=3 247 B19R2.60510 Cc1cc(cc(c1C(=O)Cc2ccccn2)O)O 1458a_200000061528_100000721315 [1,0,0,0,1,0|1,0,1]=4 248 B19R2.60510 Cc1cc(cc(c1C(=O)Cc2cccnc2)O)O 1458a_200000061528_100000733263 [1,0,0,0,1,0|1,0,1]=4 249 B19R2.60510 Cc1cc(cc(c1C(=O)Cc2ccncc2)O)O 1458a_200000061528_100000705612 [1,0,0,0,1,0|1,0,1]=4 250 B19R2.60510 Cc1cc(cc(c1C(=O)Nc2ccccc2)C)O 22a_100000106764_100000066486 [1,0,0,0,1,0|2,0,0]=4 251 B19R2.60510 O=C(Nc1ccccc1)c2c(cc(cc2O)O)O 527a_100000106764_100000040092 [1,0,0,0,1,0|1,0,0]=3 252 B19R2.912 COc1cccc(c1C(=O)Cc2ccccc2)Br 1458a_100011593405_100015291786 [1,0,0,0,1,0|1,0,1]=4 253 B19R2.912 COc1cccc(c1C(=O)Cc2ccccc2)C 1458a_100000066212_100015291786 [1,0,0,0,1,0|1,0,1]=4 254 B19R2.912 COc1cccc(c1C(=O)Cc2ccccc2)Cl 1458a_100000743539_100015291786 [1,0,0,0,1,0|1,0,1]=4 255 B19R2.912 COc1cccc(c1C(=O)Cc2ccccc2)F 1458a_100000759380_100015291786 [1,0,0,0,1,0|1,0,1]=4 256 B19R2.912 COc1cccc(c1C(=O)Cc2ccccc2)I 1458a_100010179659_100015291786 [1,0,0,0,1,0|1,0,1]=4 257 B19R2.912 COc1cccc(c1C(=O)Cc2ccccc2)O 1458a_100000043310_100015291786 [1,0,0,0,1,0|0,0,1]=3 258 B19R2.912 COc1cccc(c1C(=O)Cc2ccccn2)O 1458a_100000043310_100000721315 [1,0,0,0,1,0|1,0,1]=4 259 B19R2.912 COc1cccc(c1C(=O)Cc2cccnc2)O 1458a_100000043310_100000733263 [1,0,0,0,1,0|1,0,1]=4 260 B19R2.912 COc1cccc(c1C(=O)Cc2ccncc2)O 1458a_100000043310_100000705612 [1,0,0,0,1,0|1,0,1]=4 261 B19R2.912 COc1cccc(c1C(=O)Nc2ccccc2)Br 11a_100000106764_100011593405 [1,0,0,0,1,0|2,0,0]=4 262 B19R2.912 COc1cccc(c1C(=O)Nc2ccccc2)Br 1626a_100000106764_100011593405 [1,0,0,0,1,0|2,0,0]=4 263 B19R2.912 COc1cccc(c1C(=O)Nc2ccccc2)Br 22a_100000106764_100011593405 [1,0,0,0,1,0|2,0,0]=4 264 B19R2.912 COc1cccc(c1C(=O)Nc2ccccc2)Br 527a_100000106764_100011593405 [1,0,0,0,1,0|2,0,0]=4 265 B19R2.912 COc1cccc(c1C(=O)Nc2ccccc2)C 11a_100000106764_100000066212 [1,0,0,0,1,0|2,0,0]=4 266 B19R2.912 COc1cccc(c1C(=O)Nc2ccccc2)C 1626a_100000106764_100000066212 [1,0,0,0,1,0|2,0,0]=4 267 B19R2.912 COc1cccc(c1C(=O)Nc2ccccc2)C 22a_100000106764_100000066212 [1,0,0,0,1,0|2,0,0]=4 268 B19R2.912 COc1cccc(c1C(=O)Nc2ccccc2)Cl 11a_100000106764_100000743539 [1,0,0,0,1,0|2,0,0]=4 269 B19R2.912 COc1cccc(c1C(=O)Nc2ccccc2)Cl 1626a_100000106764_100000743539 [1,0,0,0,1,0|2,0,0]=4 270 B19R2.912 COc1cccc(c1C(=O)Nc2ccccc2)Cl 22a_100000106764_100000743539 [1,0,0,0,1,0|2,0,0]=4 271 B19R2.912 COc1cccc(c1C(=O)Nc2ccccc2)Cl 527a_100000106764_100000743539 [1,0,0,0,1,0|2,0,0]=4 272 B19R2.912 COc1cccc(c1C(=O)Nc2ccccc2)F 11a_100000106764_100000759380 [1,0,0,0,1,0|2,0,0]=4 273 B19R2.912 COc1cccc(c1C(=O)Nc2ccccc2)F 1626a_100000106764_100000759380 [1,0,0,0,1,0|2,0,0]=4 274 B19R2.912 COc1cccc(c1C(=O)Nc2ccccc2)F 22a_100000106764_100000759380 [1,0,0,0,1,0|2,0,0]=4 275 B19R2.912 COc1cccc(c1C(=O)Nc2ccccc2)F 527a_100000106764_100000759380 [1,0,0,0,1,0|2,0,0]=4 276 B19R2.912 COc1cccc(c1C(=O)Nc2ccccc2)I 11a_100000106764_100010179659 [1,0,0,0,1,0|2,0,0]=4 277 B19R2.912 COc1cccc(c1C(=O)Nc2ccccc2)I 1626a_100000106764_100010179659 [1,0,0,0,1,0|2,0,0]=4 278 B19R2.912 COc1cccc(c1C(=O)Nc2ccccc2)I 22a_100000106764_100010179659 [1,0,0,0,1,0|2,0,0]=4 279 B19R2.912 COc1cccc(c1C(=O)Nc2ccccc2)I 527a_100000106764_100010179659 [1,0,0,0,1,0|2,0,0]=4 280 B19R2.912 COc1cccc(c1C(=O)Nc2ccccc2)O 22a_100000106764_100000043310 [1,0,0,0,1,0|1,0,0]=3