0 B27R3.25826899 COCCCOc1ccnc(c1C)CC(=O)C2=Cc3ccccc3C2 1458a_100009862756_100000022472 [0,0,0,0,0,0|3,0,0]=3 1 B27R3.25826899 COCCCOc1ccnc(c1C)CC(=O)C2Cc3ccccc3C2 1458a_100000685393_100000022472 [0,0,0,0,0,0|3,0,1]=4 2 B27R3.25826899 COCCCOc1ccnc(c1C)CC(=O)C2Cc3ccccc3O2 1458a_100000209886_100000022472 [0,0,0,0,0,0|3,0,1]=4 3 B27R3.25826899 COCCCOc1ccnc(c1C)CC(=O)C2Cc3ccccc3S2 1458a_100000024912_100000022472 [0,0,0,0,0,0|3,0,1]=4 4 B26R3.3219560 COCCCOc1ccnc(c1C)CSc2cc3ccccc3[nH]2 62a_100000022472_100010232065 [1,0,0,0,0,0|1,0,1]=3 5 B26R3.3219560 COCCCOc1ccnc(c1C)CSc2cc3ccccc3o2 62a_100000022472_100010159458 [1,0,0,0,0,0|2,0,1]=4 6 B26R3.3219560 COCCCOc1ccnc(c1C)CSc2cc3ccccc3s2 62a_100000022472_100009816949 [1,0,0,0,0,0|2,0,1]=4 7 B26R3.3219560 COCCCOc1ccnc(c1C)CSc2cc3cccnc3[nH]2 62a_100000022472_100010079843 [1,0,0,0,0,0|2,0,1]=4 8 B26R3.3219560 COCCCOc1ccnc(c1C)CSc2cn3ccccc3n2 62a_100000022472_100009819586 [1,0,0,0,0,0|2,0,1]=4 9 B26R3.3219560 COCCCOc1ccnc(c1C)CSc2nc3ccccc3[nH]2 62a_100000022472_100009814255 [1,0,0,0,0,0|0,0,1]=2 10 B26R3.3219560 COCCCOc1ccnc(c1C)CSc2nc3ccccc3s2 62a_100000022472_100000751744 [1,0,0,0,0,0|1,0,1]=3 11 B26R3.3219560 COCCCOc1ccnc(c1C)CSc2nc3cccnc3s2 62a_100000022472_100010188088 [1,0,0,0,0,0|2,0,1]=4 12 B26R3.3219560 COCCCOc1ccnc(c1C)CSc2nc3cccnc3s2 62a_100010188088_100000022472 [1,0,0,0,0,0|2,0,1]=4 13 B28R3.4146731 COCCCOc1ccnc(c1C)CC(=O)C2=C(c3ccccc3C2)C 1458a_200000242466_100000022472 [0,1,0,0,0,0|3,0,0]=4 14 B26R2.10681 COCCCOc1ccnc(c1C)CC(=O)/C(=C/c2ccccc2)/C 1458a_100016990649_100000022472 [0,0,1,0,0,0|3,0,0]=4 15 B26R2.10681 COCCCOc1ccnc(c1C)CC(=O)/C(=C/c2ccccc2)/Cl 1458a_200020598536_100000022472 [0,0,1,0,0,0|3,0,0]=4 16 B26R2.10681 COCCCOc1ccnc(c1C)CC(=O)/C(=C\c2ccccc2)/F 1458a_100020889036_100000022472 [0,0,1,0,0,0|3,0,0]=4 17 B26R2.10681 COCCCOc1ccnc(c1C)CC(=O)C(=O)Nc2ccccc2 1458a_100000738435_100000022472 [0,0,1,0,0,0|2,0,0]=3 18 B26R2.463898 COCCCOc1ccnc(c1C)CC(=O)C=Cc2ccccc2Br 1458a_100000719032_100000022472 [0,0,1,0,0,0|3,0,0]=4 19 B26R2.463898 COCCCOc1ccnc(c1C)CC(=O)C=Cc2ccccc2Cl 1458a_100000720304_100000022472 [0,0,1,0,0,0|3,0,0]=4 20 B26R2.463898 COCCCOc1ccnc(c1C)CC(=O)C=Cc2ccccc2F 1458a_100016256065_100000022472 [0,0,1,0,0,0|3,0,0]=4 21 B26R2.463898 COCCCOc1ccnc(c1C)CC(=O)C=Cc2ccccc2O 1458a_100016263591_100000022472 [0,0,1,0,0,0|3,0,0]=4 22 B26R3.3219466 COCCCOc1ccnc(c1C)CC(=O)C2Cc3c2cccc3 1458a_200000238571_100000022472 [0,0,0,0,1,0|2,0,1]=4 23 B28R3.4146757 COCCCOc1ccnc(c1C)CC(=O)C2=Cc3ccccc3OC2 1458a_100000018039_100000022472 [0,0,0,0,0,1|3,0,0]=4 24 B28R3.4146757 COCCCOc1ccnc(c1C)CC(=O)c2ccc3ccccc3c2 1458a_100000210637_100000022472 [0,0,0,0,0,1|3,0,0]=4 25 B28R3.36394574 COCCCOc1ccnc(c1C)CNC(C)c2nc3ccccc3s2 2230a_100000213967_100000022472 [0,0,0,0,0,1|3,0,0]=4 26 B28R3.36394574 COCCCOc1ccnc(c1C)CN[C@@H](C)c2nc3ccccc3[nH]2 2230a_100015206438_100000022472 [0,0,0,0,0,1|2,0,0]=3 27 B28R3.36401582 COCCCOc1ccnc(c1C)CC(=O)Cc2cc3ccccc3o2 1458a_100000735538_100000022472 [0,0,0,0,0,1|3,0,0]=4 28 B28R3.36401582 COCCCOc1ccnc(c1C)CC(=O)Cc2cc3ccccc3s2 1458a_100012001211_100000022472 [0,0,0,0,0,1|3,0,0]=4 29 B28R3.36401582 COCCCOc1ccnc(c1C)CC(=O)Cc2nc3ccccc3o2 1458a_100015185861_100000022472 [0,0,0,0,0,1|2,0,0]=3 30 B28R3.36401582 COCCCOc1ccnc(c1C)CC(=O)Cn2cc3ccccc3n2 1458a_100000060251_100000022472 [0,0,0,0,0,1|3,0,0]=4 31 B28R3.36401582 COCCCOc1ccnc(c1C)CN(C)Cc2cc3ccccc3[nH]2 2230a_100000685833_100000022472 [0,0,0,0,0,1|3,0,0]=4 32 B28R3.36401582 COCCCOc1ccnc(c1C)CN(C)Cc2cc3ccccc3[nH]2 269982a_100000685833_100000022472 [0,0,0,0,0,1|3,0,0]=4 33 B28R3.36401582 COCCCOc1ccnc(c1C)CN(C)Cc2nc3ccccc3[nH]2 2230a_100000736437_100000022472 [0,0,0,0,0,1|2,0,0]=3 34 B28R3.36401582 COCCCOc1ccnc(c1C)CN(C)Cc2nc3ccccc3[nH]2 269982a_100000736437_100000022472 [0,0,0,0,0,1|2,0,0]=3 35 B28R3.36401582 COCCCOc1ccnc(c1C)CN(C)Cc2nc3ccccc3s2 2230a_100000204650_100000022472 [0,0,0,0,0,1|3,0,0]=4 36 B28R3.36401582 COCCCOc1ccnc(c1C)CN(C)Cc2nc3ccccc3s2 269982a_100000204650_100000022472 [0,0,0,0,0,1|3,0,0]=4 37 B25R2.11246 COCCCOc1ccnc(c1C)CC(=O)C=Cc2ccccc2 1458a_100000210462_100000022472 [1,0,1,0,0,0|2,0,0]=4 38 B27R2.9367 COCCCOc1ccnc(c1C)CC(=O)C(=O)Nc2cccc(c2)Cl 1458a_200011297299_100000022472 [0,1,1,0,0,0|2,0,0]=4 39 B27R2.9367 COCCCOc1ccnc(c1C)CC(=O)C(=O)Nc2cccc(c2)F 1458a_200011297300_100000022472 [0,1,1,0,0,0|2,0,0]=4 40 B27R2.9369 COCCCOc1ccnc(c1C)CC(=O)C(=O)Nc2ccc(cc2)C 1458a_100000189662_100000022472 [0,1,1,0,0,0|2,0,0]=4 41 B27R2.529487 COCCCOc1ccnc(c1C)CC(=O)C(=O)N(C)c2ccccc2 1458a_100011297159_100000022472 [0,1,1,0,0,0|2,0,0]=4 42 B27R2.530824 COCCCOc1ccnc(c1C)CC(=O)C(=O)Nc2ccccc2C 1458a_200011297352_100000022472 [0,1,1,0,0,0|2,0,0]=4 43 B27R2.530824 COCCCOc1ccnc(c1C)CC(=O)C(=O)Nc2ccccc2F 1458a_200011297310_100000022472 [0,1,1,0,0,0|2,0,0]=4 44 B27R3.62199 COCCCOc1ccnc(c1C)COc2cc3ccccc3n2C 34a_100000066695_100000022472 [1,1,0,0,0,0|1,1,0]=4 45 B27R3.62199 COCCCOc1ccnc(c1C)CSc2nc3ccccc3n2C 62a_100000022472_200000239431 [1,1,0,0,0,0|0,0,1]=3 46 B27R3.62199 COCCCOc1ccnc(c1C)CSc2nc3ccccc3n2C 62a_200000239431_100000022472 [1,1,0,0,0,0|0,0,1]=3 47 B27R3.3558675 COCCCOc1ccnc(c1C)CSc2cc3cc(ccc3[nH]2)Br 62a_100000022472_100011012855 [1,1,0,0,0,0|1,0,1]=4 48 B27R3.3558675 COCCCOc1ccnc(c1C)CSc2cc3cc(ccc3[nH]2)Br 62a_100011012855_100000022472 [1,1,0,0,0,0|1,0,1]=4 49 B27R3.3558675 COCCCOc1ccnc(c1C)CSc2nc3cc(ccc3s2)F 62a_100000022472_200010206605 [1,1,0,0,0,0|1,0,1]=4 50 B27R3.3558675 COCCCOc1ccnc(c1C)CSc2nc3cc(ccc3s2)F 62a_200010206605_100000022472 [1,1,0,0,0,0|1,0,1]=4 51 B27R3.3558675 COCCCOc1ccnc(c1C)CSc2nc3cc(ccc3s2)N 62a_100000022472_100010329861 [1,1,0,0,0,0|1,0,1]=4 52 B27R3.3558675 COCCCOc1ccnc(c1C)CSc2nc3cc(ccc3s2)N 62a_100010329861_100000022472 [1,1,0,0,0,0|1,0,1]=4 53 B27R3.3558675 COCCCOc1ccnc(c1C)CSc2nc3ccc(cc3s2)C 62a_100000022472_100010186437 [1,1,0,0,0,0|1,0,1]=4 54 B27R3.3558675 COCCCOc1ccnc(c1C)CSc2nc3ccc(cc3s2)F 62a_100000022472_100000751617 [1,1,0,0,0,0|1,0,1]=4 55 B27R3.3558675 COCCCOc1ccnc(c1C)CSc2nc3ccc(cc3s2)F 62a_100000751617_100000022472 [1,1,0,0,0,0|1,0,1]=4 56 B27R3.3558675 COCCCOc1ccnc(c1C)CSc2nc3ccc(cc3s2)N 62a_100000022472_100010253933 [1,1,0,0,0,0|1,0,1]=4 57 B27R3.3558675 COCCCOc1ccnc(c1C)CSc2nc3ccc(cc3s2)N 62a_100010253933_100000022472 [1,1,0,0,0,0|1,0,1]=4 58 B27R3.3558675 COCCCOc1ccnc(c1C)CSc2nc3ccc(cc3s2)O 62a_100000022472_100010063415 [1,1,0,0,0,0|1,0,1]=4 59 B27R3.3558676 COCCCOc1ccnc(c1C)CSc2cc3cccc(c3[nH]2)Br 62a_100000022472_100135389745 [1,1,0,0,0,0|1,0,1]=4 60 B27R3.3558676 COCCCOc1ccnc(c1C)CSc2cc3cccc(c3[nH]2)Br 62a_100135389745_100000022472 [1,1,0,0,0,0|1,0,1]=4 61 B27R3.3558676 COCCCOc1ccnc(c1C)CSc2nc3c(cccc3s2)C 62a_100000022472_100010008827 [1,1,0,0,0,0|1,0,1]=4 62 B27R3.3558676 COCCCOc1ccnc(c1C)CSc2nc3c(cccc3s2)F 62a_100000022472_100010008856 [1,1,0,0,0,0|1,0,1]=4 63 B27R3.25967148 COCCCOc1cc[n+](c(c1C)CSc2nc3ccccc3[nH]2)[O-] 62a_203437268727_100009814255 [1,1,0,0,0,0|0,0,2]=4 64 B29R3.4869951 COCCCOc1ccnc(c1C)COC(C)c2nc3ccc(cc3[nH]2)C 7a_100000187185_100000022472 [0,1,0,0,0,1|2,0,0]=4 65 B29R3.4869952 COCCCOc1ccnc(c1C)COC(C)c2nc3c(cccc3[nH]2)C 7a_200011795234_100000022472 [0,1,0,0,0,1|2,0,0]=4 66 B29R3.4868482 COCCCOc1ccnc(c1C)CN(C)Cc2nc3ccccc3n2C 2230a_100000754622_100000022472 [0,1,0,0,0,1|2,0,0]=4 67 B29R3.4868482 COCCCOc1ccnc(c1C)CN(C)Cc2nc3ccccc3n2C 269982a_100000754622_100000022472 [0,1,0,0,0,1|2,0,0]=4 68 B29R3.4872285 COCCCOc1ccnc(c1C)CN(C)Cc2nc3cc(ccc3[nH]2)C 2230a_200015187218_100000022472 [0,1,0,0,0,1|2,0,0]=4 69 B29R3.4872285 COCCCOc1ccnc(c1C)CN(C)Cc2nc3cc(ccc3[nH]2)C 269982a_200015187218_100000022472 [0,1,0,0,0,1|2,0,0]=4 70 B29R3.4872285 COCCCOc1ccnc(c1C)CN(C)Cc2nc3cc(ccc3[nH]2)Cl 2230a_200015185327_100000022472 [0,1,0,0,0,1|2,0,0]=4 71 B29R3.4872285 COCCCOc1ccnc(c1C)CN(C)Cc2nc3cc(ccc3[nH]2)Cl 269982a_200015185327_100000022472 [0,1,0,0,0,1|2,0,0]=4 72 B29R3.4872285 COCCCOc1ccnc(c1C)CN(C)Cc2nc3ccc(cc3[nH]2)F 2230a_100015183913_100000022472 [0,1,0,0,0,1|2,0,0]=4 73 B29R3.4872285 COCCCOc1ccnc(c1C)CN(C)Cc2nc3ccc(cc3[nH]2)F 269982a_100015183913_100000022472 [0,1,0,0,0,1|2,0,0]=4 74 B29R3.4872286 COCCCOc1ccnc(c1C)CN(C)Cc2nc3cccc(c3[nH]2)C 2230a_100015185812_100000022472 [0,1,0,0,0,1|2,0,0]=4 75 B29R3.4872286 COCCCOc1ccnc(c1C)CN(C)Cc2nc3cccc(c3[nH]2)C 269982a_100015185812_100000022472 [0,1,0,0,0,1|2,0,0]=4 76 B25R2.11216 C=C(C(=O)Cc1nccc(c1C)OCCCOC)c2ccccc2 1458a_100000065200_100000022472 [0,0,1,0,1,0|2,0,0]=4 77 B27R3.3558703 COCCCOc1ccnc(c1C)COc2cnc3ccccc3c2 34a_100011934006_100000022472 [1,0,0,0,0,1|1,1,0]=4 78 B27R3.3558703 COCCCOc1ccnc(c1C)COc2cnc3ccccc3c2 7a_100011934006_100000022472 [1,0,0,0,0,1|1,1,0]=4 79 B27R3.3558703 COCCCOc1ccnc(c1C)CSc2cc3ccccc3cn2 62a_100000022472_100000047361 [1,0,0,0,0,1|1,0,1]=4 80 B27R3.3558703 COCCCOc1ccnc(c1C)CSc2cc3ccccc3cn2 62a_100009816522_100000022472 [1,0,0,0,0,1|1,0,1]=4 81 B27R3.3558703 COCCCOc1ccnc(c1C)CSc2ccc3ccccc3n2 62a_100000022472_100011291633 [1,0,0,0,0,1|1,0,1]=4 82 B27R3.3558703 COCCCOc1ccnc(c1C)CSc2ccc3ccccc3n2 62a_100011291633_100000022472 [1,0,0,0,0,1|1,0,1]=4 83 B27R3.3558703 COCCCOc1ccnc(c1C)CSc2cnc3ccccc3c2 62a_100000022472_100000737414 [1,0,0,0,0,1|1,0,1]=4 84 B27R3.3558703 COCCCOc1ccnc(c1C)CSc2cnc3ccccc3n2 62a_100000022472_100000756483 [1,0,0,0,0,1|0,0,2]=4 85 B27R3.3558703 COCCCOc1ccnc(c1C)CSc2cnc3ccccc3n2 62a_100000756483_100000022472 [1,0,0,0,0,1|0,0,2]=4 86 B27R3.3558703 COCCCOc1ccnc(c1C)CSc2ncc3ccccc3n2 62a_100000022472_100000097389 [1,0,0,0,0,1|0,0,2]=4 87 B27R3.3560015 COCCCOc1ccnc(c1C)COCc2nc3ccccc3[nH]2 7a_100020648346_100000737899 [1,0,0,0,0,1|0,1,0]=3 88 B27R3.3560015 COCCCOc1ccnc(c1C)COCc2nc3ccccc3o2 34a_100020648346_200012361514 [1,0,0,0,0,1|1,1,0]=4 89 B27R3.3560015 COCCCOc1ccnc(c1C)COCc2nc3ccccc3o2 7a_100020648346_100000195508 [1,0,0,0,0,1|1,1,0]=4 90 B27R3.3560015 COCCCOc1ccnc(c1C)COCc2nc3ccccc3s2 34a_100020648346_100011217541 [1,0,0,0,0,1|1,1,0]=4 91 B27R3.3560015 COCCCOc1ccnc(c1C)COCc2nc3ccccc3s2 7a_100020648346_100011217541 [1,0,0,0,0,1|1,1,0]=4 92 B27R3.3560015 COCCCOc1ccnc(c1C)COCc2nc3cccnc3[nH]2 7a_100020648346_100011549802 [1,0,0,0,0,1|1,1,0]=4 93 B27R3.3560015 COCCCOc1ccnc(c1C)CSCc2nc3ccccc3[nH]2 62a_100000022472_100000737899 [1,0,0,0,0,1|0,0,1]=3 94 B27R3.3560015 COCCCOc1ccnc(c1C)CSCc2nc3ccccc3o2 62a_100000022472_100000195508 [1,0,0,0,0,1|1,0,1]=4 95 B27R3.3560015 COCCCOc1ccnc(c1C)CSCc2nc3ccccc3s2 62a_100000022472_100000766747 [1,0,0,0,0,1|1,0,1]=4 96 B27R3.3560015 COCCCOc1ccnc(c1C)CSCc2nc3ccccc3s2 62a_100011217541_100000022472 [1,0,0,0,0,1|1,0,1]=4 97 B27R3.3560015 COCCCOc1ccnc(c1C)CSCc2nc3cccnc3[nH]2 62a_100011549802_100000022472 [1,0,0,0,0,1|1,0,1]=4 98 B29R3.53962771 COCCCOc1ccnc(c1C)CSCC(=O)c2nc3ccccc3s2 62a_100000198972_100000022472 [0,0,0,0,0,2|2,0,0]=4 99 B29R3.53943497 COCCCOc1ccnc(c1C)CC(=O)C=Cc2nc3ccccc3o2 1458a_100000697878_100000022472 [0,0,0,0,0,2|2,0,0]=4 100 B29R3.53943497 COCCCOc1ccnc(c1C)CC(=O)C=Cc2nc3ccccc3s2 1458a_100000682698_100000022472 [0,0,0,0,0,2|2,0,0]=4 101 B29R3.53943497 COCCCOc1ccnc(c1C)CC(=O)CCc2nc3ccccc3[nH]2 1458a_100102526157_100000022472 [0,0,0,0,0,2|1,0,0]=3 102 B29R3.53943497 COCCCOc1ccnc(c1C)CC(=O)CCc2nc3ccccc3s2 1458a_100000182949_100000022472 [0,0,0,0,0,2|2,0,0]=4 103 B29R3.53943497 COCCCOc1ccnc(c1C)CC(=O)CSc2nc3ccccc3[nH]2 1458a_100000179484_100000022472 [0,0,0,0,0,2|1,0,0]=3 104 B29R3.53943497 COCCCOc1ccnc(c1C)CC(=O)CSc2nc3ccccc3o2 1458a_200000179485_100000022472 [0,0,0,0,0,2|2,0,0]=4 105 B29R3.53943497 COCCCOc1ccnc(c1C)CC(=O)CSc2nc3ccccc3s2 1458a_100000179486_100000022472 [0,0,0,0,0,2|2,0,0]=4 106 B29R3.53943497 COCCCOc1ccnc(c1C)CN(C)CCc2nc3ccccc3[nH]2 269982a_100015206297_100000022472 [0,0,0,0,0,2|2,0,0]=4