0 B21R3.2809 CC(NCCc1c[nH]c2c1cccc2)c3ccc[nH]3 269862a_100000211132_100000183661 [1,0,0,0,0,0|2,0,1]=4 1 B21R3.2809 CC(NCCc1c[nH]c2c1cccc2)c3cccs3 2230a_100000703493_100011218569 [1,0,0,0,0,0|1,0,1]=3 2 B21R3.2809 CC(NCCc1c[nH]c2c1cccc2)c3cccs3 269862a_100000211132_100000185736 [1,0,0,0,0,0|1,0,1]=3 3 B21R3.2809 CC(NCCc1c[nH]c2c1cccc2)c3nccs3 2230a_100000725601_100011218569 [1,0,0,0,0,0|2,0,1]=4 4 B21R3.2809 CC(NCCc1c[nH]c2c1cccn2)c3cccs3 2230a_100000703493_100009895007 [1,0,0,0,0,0|2,0,1]=4 5 B21R3.2809 CC(NCCc1coc2c1cccc2)c3cccs3 269862a_100011934666_100000185736 [1,0,0,0,0,0|2,0,1]=4 6 B21R3.2809 C[C@@H](NCCc1c[nH]c2c1cccc2)c3ccco3 2230a_100160469435_100011218569 [1,0,0,0,0,0|1,1,1]=4 7 B21R3.2809 C[C@@H](OCCc1c[nH]c2c1cccc2)c3cccs3 7a_100000750433_100011218569 [1,0,0,0,0,0|2,0,1]=4 8 B21R3.2809 O=C(CCOc1csc2c1cccc2)c3cccs3 7a_100000077758_100011290775 [1,0,0,0,0,0|3,0,0]=4 9 B21R3.2809 O=C(CCSc1c[nH]c2c1cccn2)c3cccs3 62a_100011290775_100011934613 [1,0,0,0,0,0|3,0,0]=4 10 B21R3.2809 O=C(CCSc1c[nH]c2c1ccnc2)c3cccs3 62a_100011290775_100010232032 [1,0,0,0,0,0|3,0,0]=4 11 B21R3.2809 O=C(CCSc1c[nH]c2c1cncc2)c3cccs3 62a_100011290775_100000753697 [1,0,0,0,0,0|3,0,0]=4 12 B21R3.2809 O=C(CCSc1c[nH]c2c1nccc2)c3cccs3 62a_100011290775_100009817151 [1,0,0,0,0,0|3,0,0]=4 13 B21R3.2809 O=C(CCSc1coc2c1cccc2)c3cccs3 62a_100011290775_100009812202 [1,0,0,0,0,0|3,0,0]=4 14 B21R3.2809 O=C(CCSc1n[nH]c2c1cccc2)c3cccs3 62a_100011290775_100000050141 [1,0,0,0,0,0|3,0,0]=4 15 B21R3.2809 O=C(NCCc1c[nH]c2c1cccc2)C3=CCCC3 240690a_100000211132_100000038896 [1,0,0,0,0,0|1,0,2]=4 16 B21R3.2809 O=C(NCCc1c[nH]c2c1cccc2)C3=CCOC3 240690a_100000211132_100000139269 [1,0,0,0,0,0|2,0,1]=4 17 B21R3.2809 O=C(NCCc1c[nH]c2c1cccc2)C3=COCC3 240690a_100000211132_100000750620 [1,0,0,0,0,0|2,0,1]=4 18 B21R3.2809 O=C(NCCc1c[nH]c2c1cccc2)C3CC=CC3 240690a_100000211132_100000759439 [1,0,0,0,0,0|1,0,2]=4 19 B21R3.2809 O=C(NCCc1c[nH]c2c1cccc2)C3CC=CC3 527a_100000211132_100000759439 [1,0,0,0,0,0|1,0,2]=4 20 B21R3.2809 O=C(NCCc1c[nH]c2c1cccc2)N3CC=CC3 2708a_100000211132_100015195280 [1,0,0,0,0,0|2,0,1]=4 21 B21R3.2809 O=C(NCCc1c[nH]c2c1cccc2)N3CC=CC3 273464a_100000211132_100015195280 [1,0,0,0,0,0|2,0,1]=4 22 B21R3.2809 O=C(NN=Cc1c[nH]c2c1cccc2)c3ccc[nH]3 4a_100000018271_100000182151 [1,0,0,0,0,0|2,0,1]=4 23 B21R3.2809 O=C(NN=Cc1c[nH]c2c1cccc2)c3ccco3 4a_100000185077_100000182151 [1,0,0,0,0,0|1,1,1]=4 24 B21R3.2809 O=C(NN=Cc1c[nH]c2c1cccc2)c3cccs3 4a_100000184746_100000182151 [1,0,0,0,0,0|1,0,1]=3 25 B21R3.2809 O=C(NN=Cc1c[nH]c2c1cccc2)c3cncs3 4a_200000241815_100000182151 [1,0,0,0,0,0|2,0,1]=4 26 B21R3.2809 O=C(NN=Cc1c[nH]c2c1cccc2)c3nccs3 4a_100000077877_100000182151 [1,0,0,0,0,0|2,0,1]=4 27 B21R3.2809 O=C(NN=Cc1c[nH]c2c1cccn2)c3cccs3 4a_100000184746_100000187067 [1,0,0,0,0,0|2,0,1]=4 28 B21R3.2809 O=C(NN=Cc1c[nH]c2c1ccnc2)c3cccs3 4a_100000184746_100000087688 [1,0,0,0,0,0|2,0,1]=4 29 B21R3.2809 O=C(NN=Cc1c[nH]c2c1cncc2)c3cccs3 4a_100000184746_100011787733 [1,0,0,0,0,0|2,0,1]=4 30 B21R3.2809 O=C(NN=Cc1c[nH]c2c1nccc2)c3cccs3 4a_100000184746_100000133833 [1,0,0,0,0,0|2,0,1]=4 31 B21R3.2809 O=C(NN=Cc1coc2c1cccc2)c3cccs3 4a_100000184746_100000688544 [1,0,0,0,0,0|2,0,1]=4 32 B21R3.2809 O=C(NN=Cc1csc2c1cccc2)c3cccs3 4a_100000184746_100000239721 [1,0,0,0,0,0|2,0,1]=4 33 B21R3.2809 O=C(NN=Cc1n[nH]c2c1cccc2)c3cccs3 4a_100000184746_100000059708 [1,0,0,0,0,0|2,0,1]=4 34 B21R3.19586 Cc1[nH]c2ccccc2c1CCNCc3cc[nH]n3 207a_100000750322_100000738523 [1,0,0,0,0,0|2,0,1]=4 35 B21R3.19586 Cc1[nH]c2ccccc2c1CCNCc3cc[nH]n3 270004a_100000750322_100000738523 [1,0,0,0,0,0|2,0,1]=4 36 B21R3.19586 Cc1[nH]c2ccccc2c1CCNCc3ccco3 207a_100000750322_100000186105 [1,0,0,0,0,0|0,1,1]=3 37 B21R3.19586 Cc1[nH]c2ccccc2c1CCNCc3ccco3 270004a_100000750322_100000186105 [1,0,0,0,0,0|0,1,1]=3 38 B21R3.19586 Cc1[nH]c2ccccc2c1CCNCc3cccs3 207a_100000750322_100000209959 [1,0,0,0,0,0|0,0,1]=2 39 B21R3.19586 Cc1[nH]c2ccccc2c1CCNCc3cccs3 270004a_100000750322_100000209959 [1,0,0,0,0,0|0,0,1]=2 40 B21R3.19586 Cc1[nH]c2ccccc2c1CCNCc3ccoc3 207a_100000750322_100011215517 [1,0,0,0,0,0|2,0,1]=4 41 B21R3.19586 Cc1[nH]c2ccccc2c1CCNCc3ccoc3 270004a_100000750322_100011215517 [1,0,0,0,0,0|2,0,1]=4 42 B21R3.19586 Cc1[nH]c2ccccc2c1CCNCc3ccsc3 207a_100000750322_100000188534 [1,0,0,0,0,0|2,0,1]=4 43 B21R3.19586 Cc1[nH]c2ccccc2c1CCNCc3ccsc3 270004a_100000750322_100000188534 [1,0,0,0,0,0|2,0,1]=4 44 B21R3.19586 Cc1[nH]c2ccccc2c1CCNCc3cnc[nH]3 207a_100000750322_100000742939 [1,0,0,0,0,0|2,0,1]=4 45 B21R3.19586 Cc1[nH]c2ccccc2c1CCNCc3cnco3 270004a_100000750322_100000064291 [1,0,0,0,0,0|1,1,1]=4 46 B21R3.19586 Cc1[nH]c2ccccc2c1CCNCc3cncs3 207a_100000750322_100000749870 [1,0,0,0,0,0|1,0,1]=3 47 B21R3.19586 Cc1[nH]c2ccccc2c1CCNCc3cncs3 270004a_100000750322_100000749870 [1,0,0,0,0,0|1,0,1]=3 48 B21R3.19586 Cc1[nH]c2ccccc2c1CCNCc3cocn3 270004a_100000750322_100000050382 [1,0,0,0,0,0|2,0,1]=4 49 B21R3.19586 Cc1[nH]c2ccccc2c1CCNCc3cscn3 207a_100000750322_100000743575 [1,0,0,0,0,0|2,0,1]=4 50 B21R3.19586 Cc1[nH]c2ccccc2c1CCNCc3cscn3 270004a_100000750322_100000743575 [1,0,0,0,0,0|2,0,1]=4 51 B21R3.19586 Cc1[nH]c2ccccc2c1CCNCc3ncc[nH]3 207a_100000750322_100000743867 [1,0,0,0,0,0|2,0,1]=4 52 B21R3.19586 Cc1[nH]c2ccccc2c1CCNCc3ncco3 270004a_100000750322_100000064290 [1,0,0,0,0,0|1,1,1]=4 53 B21R3.19586 Cc1[nH]c2ccccc2c1CCNCc3nccs3 207a_100000750322_100000750902 [1,0,0,0,0,0|1,0,1]=3 54 B21R3.19586 Cc1[nH]c2ccccc2c1CCNCc3nccs3 270004a_100000750322_100000750902 [1,0,0,0,0,0|1,0,1]=3 55 B21R3.19586 Cc1nc2ccccc2n1CCNCc3cccs3 207a_200000204690_100000209959 [1,0,0,0,0,0|1,0,2]=4 56 B21R3.19586 Cc1nc2ccccc2n1CCNCc3cccs3 270004a_200000204690_100000209959 [1,0,0,0,0,0|1,0,2]=4 57 B21R3.19586 O=c1[nH]c2ccccc2n1CCNCc3cccs3 207a_203549771432_100000209959 [1,0,0,0,0,0|2,0,1]=4 58 B21R3.19586 O=c1[nH]c2ccccc2n1CCNCc3cccs3 2230a_100000211653_203549783246 [1,0,0,0,0,0|2,0,1]=4 59 B21R3.19586 O=c1[nH]c2ccccc2n1CCNCc3cccs3 270004a_203549771432_100000209959 [1,0,0,0,0,0|2,0,1]=4 60 B21R3.19585 CC1Cc2ccccc2C1=NNC(=O)c3cccs3 4a_100000184746_100000684640 [0,0,0,0,1,0|2,0,1]=4 61 B21R3.19585 Cc1[nH]c2ncccc2c1SCC(=O)c3ccc[nH]3 62a_200011262396_100010174266 [0,0,0,0,1,0|3,0,0]=4 62 B21R3.19585 Cc1[nH]c2ncccc2c1SCC(=O)c3ccco3 62a_100000211439_100010174266 [0,0,0,0,1,0|2,1,0]=4 63 B21R3.19585 Cc1[nH]c2ncccc2c1SCC(=O)c3cccs3 62a_100000211436_100010174266 [0,0,0,0,1,0|2,0,0]=3 64 B21R3.19585 Cc1[nH]c2ncccc2c1SCC(=O)c3nccs3 62a_100000718653_100010174266 [0,0,0,0,1,0|3,0,0]=4 65 B21R3.19585 Cc1nc2ccccn2c1SCC(=O)c3cccs3 62a_100000211436_100000762796 [0,0,0,0,1,0|2,0,1]=4 66 B21R3.19585 Cc1nc2ccccn2c1SCC(=O)c3cccs3 62a_100000762796_100000211436 [0,0,0,0,1,0|2,0,1]=4 67 B21R3.19585 Cc1oc2ccccc2c1SCC(=O)c3ccc[nH]3 62a_200011262396_200010236113 [0,0,0,0,1,0|3,0,0]=4 68 B21R3.19585 Cc1oc2ccccc2c1SCC(=O)c3ccco3 62a_100000211439_200010236113 [0,0,0,0,1,0|2,1,0]=4 69 B21R3.19585 Cc1oc2ccccc2c1SCC(=O)c3cccs3 62a_100000211436_200010236113 [0,0,0,0,1,0|2,0,0]=3 70 B21R3.19585 Cc1oc2ccccc2c1SCC(=O)c3nccs3 62a_100000718653_200010236113 [0,0,0,0,1,0|3,0,0]=4 71 B21R3.19585 Cc1sc2ccccc2c1SCC(=O)c3ccc[nH]3 62a_100010002616_200011262396 [0,0,0,0,1,0|3,0,0]=4 72 B21R3.19585 Cc1sc2ccccc2c1SCC(=O)c3ccc[nH]3 62a_200011262396_100010002616 [0,0,0,0,1,0|3,0,0]=4 73 B21R3.19585 Cc1sc2ccccc2c1SCC(=O)c3ccco3 62a_100000211439_100010002616 [0,0,0,0,1,0|2,1,0]=4 74 B21R3.19585 Cc1sc2ccccc2c1SCC(=O)c3ccco3 62a_100010002616_100000211439 [0,0,0,0,1,0|2,1,0]=4 75 B21R3.19585 Cc1sc2ccccc2c1SCC(=O)c3nccs3 62a_100000718653_100010002616 [0,0,0,0,1,0|3,0,0]=4 76 B21R3.19585 Cc1sc2ccccc2c1SCC(=O)c3nccs3 62a_100010002616_100000718653 [0,0,0,0,1,0|3,0,0]=4 77 B21R3.19585 Cn1nc2ccccc2c1SCC(=O)c3cccs3 62a_100000211436_100010163699 [0,0,0,0,1,0|2,0,1]=4 78 B21R3.19585 Cn1nc2ccccc2c1SCC(=O)c3cccs3 62a_100010163699_100000211436 [0,0,0,0,1,0|2,0,1]=4 79 B21R3.19585 O=C(CSC1C(=O)Nc2c1cccc2)c3cccs3 62a_100000211436_200009996675 [0,0,0,0,1,0|2,0,1]=4 80 B21R3.19585 O=C1Nc2ccccc2C1=NNC(=O)c3ccc[nH]3 4a_100000018271_100000185742 [0,0,0,0,1,0|3,0,0]=4 81 B21R3.19585 O=C1Nc2ccccc2C1=NNC(=O)c3ccco3 4a_100000185077_100000185742 [0,0,0,0,1,0|2,1,0]=4 82 B21R3.19585 O=C1Nc2ccccc2C1=NNC(=O)c3cccs3 4a_100000184746_100000185742 [0,0,0,0,1,0|2,0,0]=3 83 B21R3.19585 O=C1Nc2ccccc2C1=NNC(=O)c3cncs3 4a_200000241815_100000185742 [0,0,0,0,1,0|3,0,0]=4 84 B21R3.19585 O=C1Nc2ccccc2C1=NNC(=O)c3nccs3 4a_100000077877_100000185742 [0,0,0,0,1,0|3,0,0]=4 85 B21R3.19585 O=C1Nc2ncccc2C1=NNC(=O)c3cccs3 4a_100000184746_100000098433 [0,0,0,0,1,0|3,0,0]=4 86 B21R3.19585 O=C1Sc2ccccc2C1=NNC(=O)c3cccs3 4a_100000184746_100011996146 [0,0,0,0,1,0|3,0,0]=4 87 B20R2.9 C/C=C/C=CC(=O)NCCc1c[nH]c2c1cccc2 240690a_100000211132_100000185730 [1,0,1,0,0,0|1,0,0]=3 88 B20R2.9 C/C=C/C=CC(=O)NCCc1coc2c1cccc2 11a_100011934666_100000185730 [1,0,1,0,0,0|2,0,0]=4 89 B20R2.9 C/C=C/C=CC(=O)NCCc1coc2c1cccc2 1626a_100011934666_100000185730 [1,0,1,0,0,0|2,0,0]=4 90 B20R2.9 C/C=C/C=CC(=O)NCCc1coc2c1cccc2 240690a_100011934666_100000185730 [1,0,1,0,0,0|2,0,0]=4 91 B20R2.9 C=CCSCC(=O)NCCc1c[nH]c2c1cccc2 240690a_100000211132_100000230395 [1,0,1,0,0,0|0,0,2]=4 92 B20R2.9 C=CCSCC(=O)NCCc1c[nH]c2c1cccc2 527a_100000211132_100000230395 [1,0,1,0,0,0|0,0,2]=4 93 B20R2.9 C=CCSCC(=O)NCCc1c[nH]c2c1cccc2 62a_100000187262_100000210623 [1,0,1,0,0,0|0,0,2]=4 94 B20R2.9 C=CCSCC(=O)NCCc1c[nH]c2c1cccc2 62a_100000210623_100000187262 [1,0,1,0,0,0|0,0,2]=4 95 B20R2.316121 C=CC=CC(=O)NCCn1c(nc2c1cccc2)C 1626a_200000204690_100016291481 [1,0,1,0,0,0|1,0,1]=4 96 B20R2.316121 C=CCCC(=O)NCCc1c([nH]c2c1cccc2)C 240690a_100000750322_100000749702 [1,0,1,0,0,0|0,0,2]=4 97 B20R2.316121 C=CCCC(=O)NCCc1c([nH]c2c1cccc2)C 527a_100000750322_100000749702 [1,0,1,0,0,0|0,0,2]=4 98 B20R2.316121 C=CCNC(=O)NCCc1c([nH]c2c1cccc2)C 2708a_100000750322_100020586998 [1,0,1,0,0,0|1,0,1]=4 99 B20R2.316121 C=CCNC(=O)NCCc1c([nH]c2c1cccc2)C 273464a_100000750322_100020586998 [1,0,1,0,0,0|1,0,1]=4 100 B20R2.316121 C=CCNC(=O)NCCc1c([nH]c2c1cccc2)C 273464a_100020586998_100000750322 [1,0,1,0,0,0|1,0,1]=4 101 B20R2.316121 C=CCNC(=O)NCCc1c([nH]c2c1cccc2)C 512a_100000750322_100020586998 [1,0,1,0,0,0|1,0,1]=4 102 B20R2.316121 C=CCNC(=O)NCCc1c([nH]c2c1cccc2)C 512a_100020586998_100000750322 [1,0,1,0,0,0|1,0,1]=4 103 B20R2.316121 CC=CCC(=O)NCCc1c([nH]c2c1cccc2)C 240690a_100000750322_100121576822 [1,0,1,0,0,0|0,0,2]=4 104 B20R2.316121 CC=CCC(=O)NCCc1c([nH]c2c1cccc2)C 527a_100000750322_100121576822 [1,0,1,0,0,0|0,0,2]=4 105 B20R2.316121 CCC=CC(=O)NCCc1c([nH]c2c1cccc2)C 240690a_100000750322_100000212282 [1,0,1,0,0,0|0,0,2]=4 106 B20R2.316121 COC=CC(=O)NCCc1c([nH]c2c1cccc2)C 240690a_100000750322_100016268678 [1,0,1,0,0,0|1,0,1]=4 107 B20R2.333329 C/C=C(/C=NNC(=O)c1cccs1)\c2ccccc2 4a_100000184746_200015352894 [1,0,1,0,0,0|1,0,1]=4 108 B20R2.327308 C=CC(C)C(=O)NCCc1c([nH]c2c1cccc2)C 240690a_100000750322_100011216780 [1,0,1,0,0,0|0,0,2]=4 109 B20R2.327308 C=CC(C)C(=O)NCCc1c([nH]c2c1cccc2)C 527a_100000750322_100011216780 [1,0,1,0,0,0|0,0,2]=4 110 B20R3.2713 c1ccc2c(c[nH]c2c1)CCNCc3cncs3 207a_100000211132_100000749870 [2,0,0,0,0,0|1,0,1]=4 111 B20R3.2713 c1ccc2c(c[nH]c2c1)CCNCc3cncs3 2230a_100000211132_100015185245 [2,0,0,0,0,0|1,0,1]=4 112 B20R3.2713 c1ccc2c(c[nH]c2c1)CCNCc3cncs3 2230a_100016987365_100011218569 [2,0,0,0,0,0|1,0,1]=4 113 B20R3.2713 c1ccc2c(c[nH]c2c1)CCNCc3cncs3 270004a_100000211132_100000749870 [2,0,0,0,0,0|1,0,1]=4 114 B20R3.2713 c1ccc2c(c[nH]c2c1)CCNCc3nccs3 207a_100000211132_100000750902 [2,0,0,0,0,0|1,0,1]=4 115 B20R3.2713 c1ccc2c(c[nH]c2c1)CCNCc3nccs3 2230a_100000211132_100015184050 [2,0,0,0,0,0|1,0,1]=4 116 B20R3.2713 c1ccc2c(c[nH]c2c1)CCNCc3nccs3 2230a_100000740555_100011218569 [2,0,0,0,0,0|1,0,1]=4 117 B20R3.2713 c1ccc2c(c[nH]c2c1)CCNCc3nccs3 270004a_100000211132_100000750902 [2,0,0,0,0,0|1,0,1]=4 118 B20R3.2713 c1coc(c1)CNCCc2c[nH]c3c2cccc3 207a_100000211132_100000186105 [2,0,0,0,0,0|0,1,1]=4 119 B20R3.2713 c1coc(c1)CNCCc2c[nH]c3c2cccc3 2230a_100000185738_100011218569 [2,0,0,0,0,0|0,1,1]=4 120 B20R3.2713 c1coc(c1)CNCCc2c[nH]c3c2cccc3 270004a_100000211132_100000186105 [2,0,0,0,0,0|0,1,1]=4 121 B20R3.2713 c1coc(c1)CNCCc2c[nH]c3c2cccc3 34a_100000185738_100011218569 [2,0,0,0,0,0|0,1,1]=4 122 B20R3.2713 c1csc(c1)CNCCc2c[nH]c3c2cccc3 207a_100000211132_100000209959 [2,0,0,0,0,0|0,0,1]=3 123 B20R3.2713 c1csc(c1)CNCCc2c[nH]c3c2cccc3 2230a_100000211653_100011218569 [2,0,0,0,0,0|0,0,1]=3 124 B20R3.2713 c1csc(c1)CNCCc2c[nH]c3c2cccc3 270004a_100000211132_100000209959 [2,0,0,0,0,0|0,0,1]=3 125 B20R3.2713 c1csc(c1)CNCCc2c[nH]c3c2cccn3 2230a_100000211653_100009895007 [2,0,0,0,0,0|1,0,1]=4 126 B20R3.2713 c1csc(c1)CNCCc2coc3c2cccc3 207a_100011934666_100000209959 [2,0,0,0,0,0|1,0,1]=4 127 B20R3.2713 c1csc(c1)CNCCc2coc3c2cccc3 270004a_100011934666_100000209959 [2,0,0,0,0,0|1,0,1]=4 128 B20R3.2713 c1csc(c1)COCCc2c[nH]c3c2cccc3 34a_100000211240_100011218569 [2,0,0,0,0,0|1,0,1]=4 129 B22R4.1466560 c1ccc2c3c([nH]c2c1)CC(C3)NCc4cncs4 207a_100009852730_100000749870 [1,0,0,1,0,0|1,0,1]=4 130 B22R4.1466560 c1ccc2c3c([nH]c2c1)CC(C3)NCc4cncs4 2230a_100009852730_100015185245 [1,0,0,1,0,0|1,0,1]=4 131 B22R4.1466560 c1ccc2c3c([nH]c2c1)CC(C3)NCc4cncs4 270004a_100009852730_100000749870 [1,0,0,1,0,0|1,0,1]=4 132 B22R4.1466560 c1ccc2c3c([nH]c2c1)CC(C3)NCc4nccs4 207a_100009852730_100000750902 [1,0,0,1,0,0|1,0,1]=4 133 B22R4.1466560 c1ccc2c3c([nH]c2c1)CC(C3)NCc4nccs4 2230a_100009852730_100015184050 [1,0,0,1,0,0|1,0,1]=4 134 B22R4.1466560 c1ccc2c3c([nH]c2c1)CC(C3)NCc4nccs4 270004a_100009852730_100000750902 [1,0,0,1,0,0|1,0,1]=4 135 B22R4.1466560 c1coc(c1)CNC2Cc3[nH]c4ccccc4c3C2 207a_100009852730_100000186105 [1,0,0,1,0,0|0,1,1]=4 136 B22R4.1466560 c1coc(c1)CNC2Cc3[nH]c4ccccc4c3C2 270004a_100009852730_100000186105 [1,0,0,1,0,0|0,1,1]=4 137 B22R4.1466560 c1csc(c1)CNC2Cc3[nH]c4ccccc4c3C2 207a_100009852730_100000209959 [1,0,0,1,0,0|0,0,1]=3 138 B22R4.1466560 c1csc(c1)CNC2Cc3[nH]c4ccccc4c3C2 270004a_100009852730_100000209959 [1,0,0,1,0,0|0,0,1]=3 139 B22R4.5842370 c1ccc2c3c([nH]c2c1)CN(CC3)Cc4cncs4 2230a_100000694026_100015185245 [1,0,0,1,0,0|1,0,1]=4 140 B22R4.5842370 c1ccc2c3c([nH]c2c1)CN(CC3)Cc4cncs4 269982a_100000694026_100015185245 [1,0,0,1,0,0|1,0,1]=4 141 B22R4.5842370 c1ccc2c3c([nH]c2c1)CN(CC3)Cc4cncs4 270004a_100000694026_100000749870 [1,0,0,1,0,0|1,0,1]=4 142 B22R4.5842370 c1ccc2c3c([nH]c2c1)CN(CC3)Cc4nccs4 2230a_100000694026_100015184050 [1,0,0,1,0,0|1,0,1]=4 143 B22R4.5842370 c1ccc2c3c([nH]c2c1)CN(CC3)Cc4nccs4 269982a_100000694026_100015184050 [1,0,0,1,0,0|1,0,1]=4 144 B22R4.5842370 c1ccc2c3c([nH]c2c1)CN(CC3)Cc4nccs4 270004a_100000694026_100000750902 [1,0,0,1,0,0|1,0,1]=4 145 B22R4.5842370 c1coc(c1)CN2CCc3c([nH]c4c3cccc4)C2 270004a_100000694026_100000186105 [1,0,0,1,0,0|0,1,1]=4 146 B22R4.5842370 c1csc(c1)CN2CCc3c([nH]c4c3cccc4)C2 270004a_100000694026_100000209959 [1,0,0,1,0,0|0,0,1]=3 147 B22R4.5842370 c1csc(c1)CN2CCc3c(oc4c3cccc4)C2 270004a_200016992036_100000209959 [1,0,0,1,0,0|1,0,1]=4 148 B20R2.11600 C/C=C/c1ccccc1OCCC(=O)c2cccs2 7a_200000189419_100011290775 [0,0,1,0,1,0|2,0,0]=4 149 B20R2.11600 CCNc1ccccc1OCCC(=O)c2cccs2 7a_103624766699_100011290775 [0,0,1,0,1,0|1,0,1]=4 150 B20R2.11600 CCNc1ccccc1SCCC(=O)c2cccs2 62a_100011290775_114873767003 [0,0,1,0,1,0|1,0,1]=4 151 B20R2.11600 CCNc1ccccc1SCCC(=O)c2cccs2 62a_114873767003_100011290775 [0,0,1,0,1,0|1,0,1]=4 152 B20R2.11600 O=CNc1ccccc1SCCC(=O)c2cccs2 62a_100011290775_200020615051 [0,0,1,0,1,0|2,0,0]=4 153 B20R2.11600 O=CNc1ccccc1SCCC(=O)c2cccs2 62a_200020615051_100011290775 [0,0,1,0,1,0|2,0,0]=4 154 B20R2.174894 C/C(=C\c1ccccc1)/C=NNC(=O)c2cccs2 4a_100000184746_100016997181 [0,0,1,0,1,0|2,0,0]=4 155 B20R2.174894 O=C(CCNC(=O)c1ccco1)Nc2ccccc2 11a_100000106764_100000184273 [0,0,1,0,1,0|1,1,0]=4 156 B20R2.174894 O=C(CCNC(=O)c1ccco1)Nc2ccccc2 1626a_100000106764_100000184273 [0,0,1,0,1,0|1,1,0]=4 157 B20R2.174894 O=C(CCNC(=O)c1ccco1)Nc2ccccc2 22a_100000106764_100000184273 [0,0,1,0,1,0|1,1,0]=4 158 B20R2.174894 O=C(CCNC(=O)c1ccco1)Nc2ccccc2 527a_100000106764_100000184273 [0,0,1,0,1,0|1,1,0]=4 159 B20R2.174894 O=C(CCNC(=O)c1cccs1)Cc2ccccc2 1458a_100000195306_100015291786 [0,0,1,0,1,0|2,0,0]=4 160 B20R2.174894 O=C(CCNC(=O)c1cccs1)Nc2ccccc2 11a_100000106764_100000195306 [0,0,1,0,1,0|1,0,0]=3 161 B20R2.174894 O=C(CCNC(=O)c1cccs1)Nc2ccccc2 1626a_100000106764_100000195306 [0,0,1,0,1,0|1,0,0]=3 162 B20R2.174894 O=C(CCNC(=O)c1cccs1)Nc2ccccc2 22a_100000106764_100000195306 [0,0,1,0,1,0|1,0,0]=3 163 B20R2.174894 O=C(CCNC(=O)c1cccs1)Nc2ccccc2 527a_100000106764_100000195306 [0,0,1,0,1,0|1,0,0]=3 164 B20R2.174959 CC(=CC=NNC(=O)c1cccs1)c2ccccc2 4a_100000184746_200043867958 [0,0,1,0,1,0|1,0,1]=4 165 B20R3.501 O=C(COc1csc2c1cccc2)c3cccs3 7a_100000077758_100000211436 [1,0,0,0,1,0|2,0,0]=4 166 B20R3.501 O=C(CSc1c[nH]c2c1cccn2)c3cccs3 62a_100000211436_100011934613 [1,0,0,0,1,0|2,0,0]=4 167 B20R3.501 O=C(CSc1c[nH]c2c1ccnc2)c3cccs3 62a_100000211436_100010232032 [1,0,0,0,1,0|2,0,0]=4 168 B20R3.501 O=C(CSc1c[nH]c2c1cncc2)c3cccs3 62a_100000211436_100000753697 [1,0,0,0,1,0|2,0,0]=4 169 B20R3.501 O=C(CSc1c[nH]c2c1nccc2)c3cccs3 62a_100000211436_100009817151 [1,0,0,0,1,0|2,0,0]=4 170 B20R3.501 O=C(CSc1coc2c1cccc2)c3cccs3 62a_100000211436_100009812202 [1,0,0,0,1,0|2,0,0]=4 171 B20R3.501 O=C(CSc1csc2c1cccc2)c3cccs3 62a_100000211436_100009813928 [1,0,0,0,1,0|2,0,0]=4 172 B20R3.501 O=C(CSc1n[nH]c2c1cccc2)c3cccs3 62a_100000211436_100000050141 [1,0,0,0,1,0|2,0,0]=4 173 B20R3.12920 Cc1[nH]c2ccccc2c1CCNc3ncns3 27a_100000750322_100000693119 [1,0,0,0,1,0|2,0,0]=4 174 B20R3.12920 Cc1[nH]c2ccccc2c1CCNc3nncs3 27a_100000750322_100000739804 [1,0,0,0,1,0|2,0,0]=4 175 B20R3.12920 Cc1sc2ccccc2c1CNCc3cccs3 207a_100000211653_100000066825 [1,0,0,0,1,0|1,0,1]=4 176 B20R3.12920 Cc1sc2ccccc2c1CNCc3cccs3 270004a_100000211653_100000066825 [1,0,0,0,1,0|1,0,1]=4