0 B12R1.121 CCc1ccccc1C=CCO AIFCHEM-6403285681 [0,0,0,0,0,0|1,0,2]=3 1 B12R1.121 CCc1ccncc1C=CCO AIFCHEM-6353101775 [0,0,0,0,0,0|2,0,2]=4 2 B12R1.121 CCc1ncccc1C=CCO AIFCHEM-6319143184 [0,0,0,0,0,0|2,0,2]=4 3 B12R1.121 COc1cnccc1C=CCO AIFCHEM-6366453398 [0,0,0,0,0,0|1,0,2]=3 4 B12R1.121 COc1ncccc1C=CCO AIFCHEM-6291962493 [0,0,0,0,0,0|1,0,2]=3 5 B11R1.17 Cc1ccncc1C=CCO AIFCHEM-6424106960 [1,0,0,0,0,0|1,0,2]=4 6 B11R1.17 OCC=Cc1ccccc1O AIFCHEM-6364368587 [1,0,0,0,0,0|0,0,2]=3 7 B11R1.41 CC=Cc1cccnc1NC AIFCHEM-5624892479 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.41 CC=Cc1cnccc1OC AIFCHEM-6384380509 [1,0,0,0,0,0|1,0,1]=3 9 B13R1.73 COc1cc(ccc1C=CCO)F AIFCHEM-6326605297 [0,1,0,0,0,0|0,0,2]=3 10 B13R1.73 COc1cc(ccc1C=CCO)N AIFCHEM-6214863531 [0,1,0,0,0,0|0,0,2]=3 11 B13R1.84 CCOC=Cc1ccccc1NC AIFCHEM-94580724089 [0,1,0,0,0,0|2,0,1]=4 12 B13R1.84 CNc1ccccc1C=CCOC AIFCHEM-5742657972 [0,1,0,0,0,0|1,0,2]=4 13 B13R1.84 COCC=Cc1cnccc1OC AIFCHEM-6386285709 [0,1,0,0,0,0|1,0,2]=4 14 B13R1.90 CSc1ccccc1C=CC(C)O AIFCHEM-6341944588 [0,1,0,0,0,0|0,1,2]=4 15 B13R1.556 COc1ccc(nc1C=CCO)C AIFCHEM-6301488993 [0,1,0,0,0,0|1,0,2]=4 16 B13R1.572 CN(C)c1ccccc1C=CCO AIFCHEM-6474240917 [0,1,0,0,0,0|1,0,2]=4 17 B13R1.1619 COc1nccc(c1C=CCO)O AIFCHEM-94585245253 [0,1,0,0,0,0|1,0,2]=4 18 B13R2.1 CC=Cc1coc2c1cccc2 AIFCHEM-6431447641 [0,0,0,1,0,0|1,0,1]=3 19 B10R1.4 CC=Cc1ccccc1C AIFCHEM-6371242545 [2,0,0,0,0,0|0,0,1]=3 20 B12R1.25 OCC=Cc1cccc(c1O)O AIFCHEM-6309534545 [1,1,0,0,0,0|0,0,2]=4 21 B12R1.69 Cc1ccc(c(c1)C)C=CCO AIFCHEM-94607013894 [1,1,0,0,0,0|0,0,2]=4 22 B12R1.69 OCC=Cc1ccc(cc1O)O AIFCHEM-6301496114 [1,1,0,0,0,0|0,0,2]=4 23 B12R1.125 CC(=O)NCc1ccccc1O AIFCHEM-94535601059 [1,1,0,0,0,0|1,0,1]=4 24 B12R1.267 CCOC=Cc1ccccc1C AIFCHEM-94536265848 [1,1,0,0,0,0|1,0,1]=4 25 B12R1.267 COCC=Cc1ccccc1O AIFCHEM-6341471182 [1,1,0,0,0,0|0,0,2]=4 26 B12R1.1631 Cc1cccc(c1C=CCO)F AIFCHEM-6339770229 [1,1,0,0,0,0|0,0,2]=4 27 B12R1.1631 Cc1cccc(c1C=CCO)N AIFCHEM-5754692448 [1,1,0,0,0,0|0,0,2]=4 28 B12R1.1631 Cc1cccc(c1C=CCO)O AIFCHEM-6378257590 [1,1,0,0,0,0|0,0,2]=4 29 B12R1.1631 Nc1cccc(c1C=CCO)O AIFCHEM-5847428384 [1,1,0,0,0,0|0,0,2]=4 30 B12R1.1631 OCC=Cc1c(cccc1F)O AIFCHEM-6381666064 [1,1,0,0,0,0|0,0,2]=4 31 B12R1.75 COc1ccccc1NC(=O)C AIFCHEM-94535590793 [1,1,0,0,0,0|1,0,0]=3 32 B12R1.75 COc1cccnc1NC(=O)C AIFCHEM-94605337123 [1,1,0,0,0,0|2,0,0]=4 33 B12R1.75 COc1ccncc1NC(=O)C AIFCHEM-94535595506 [1,1,0,0,0,0|2,0,0]=4 34 B12R1.75 CSc1ccccc1NC(=O)C AIFCHEM-5786942629 [1,1,0,0,0,0|1,1,0]=4 35 B12R1.77 C/C=C(\C)/c1ccccc1OC AIFCHEM-94584219949 [1,1,0,0,0,0|0,0,1]=3 36 B12R1.77 C/C=C(\C)/c1cnccc1OC AIFCHEM-94584222132 [1,1,0,0,0,0|1,0,1]=4 37 B12R1.77 C/C=C(\C)/c1ncccc1OC AIFCHEM-94584216276 [1,1,0,0,0,0|1,0,1]=4 38 B12R1.112 CC=Cc1ccc(cc1SC)C AIFCHEM-6304068829 [1,1,0,0,0,0|0,1,1]=4 39 B12R1.112 CC=Cc1ccc(cc1SC)F AIFCHEM-6345634634 [1,1,0,0,0,0|0,1,1]=4 40 B12R1.112 CC=Cc1ccc(nc1OC)C AIFCHEM-6348293707 [1,1,0,0,0,0|1,0,1]=4 41 B12R1.112 CC=Cc1ncc(cc1OC)N AIFCHEM-6476781125 [1,1,0,0,0,0|1,0,1]=4 42 B12R1.169 CC=Cc1cccnc1OCC AIFCHEM-6428933707 [1,1,0,0,0,0|1,0,1]=4 43 B12R1.268 CC=Cc1cc(ccc1OC)C AIFCHEM-94571714396 [1,1,0,0,0,0|0,0,1]=3 44 B12R1.268 CC=Cc1nc(ccc1OC)N AIFCHEM-6329998382 [1,1,0,0,0,0|1,0,1]=4 45 B12R1.283 CC=Cc1ccccc1C(C)O AIFCHEM-6288711231 [1,1,0,0,0,0|1,0,1]=4 46 B12R1.283 CC=Cc1ccccc1[C@@H](C)O AIFCHEM-6346903517 [1,1,0,0,0,0|1,0,1]=4 47 B12R1.283 CC=Cc1ccccc1[C@H](C)O AIFCHEM-6312488097 [1,1,0,0,0,0|1,0,1]=4 48 B12R1.542 CC=Cc1cccc(c1OC)F AIFCHEM-6321973158 [1,1,0,0,0,0|0,0,1]=3 49 B12R1.542 CC=Cc1cccc(c1OC)N AIFCHEM-6121768566 [1,1,0,0,0,0|0,0,1]=3 50 B12R1.1112 CC=Cc1c(cccc1CC)C AIFCHEM-6442323218 [1,1,0,0,0,0|1,0,1]=4 51 B12R1.1112 CC=Cc1c(cccc1OC)F AIFCHEM-6297477082 [1,1,0,0,0,0|0,0,1]=3 52 B12R1.1112 CC=Cc1c(cccc1OC)N AIFCHEM-5602365071 [1,1,0,0,0,0|0,0,1]=3 53 B14R1.461 CCCC=Cc1ccc(cc1OC)N AIFCHEM-6193819110 [0,2,0,0,0,0|1,0,1]=4 54 B14R1.1354 CCOc1cc(ccc1C=CCO)N AIFCHEM-5929909912 [0,2,0,0,0,0|0,0,2]=4 55 B14R1.1355 CCc1ccc(c(c1)OC)C=CCO AIFCHEM-6447044253 [0,2,0,0,0,0|0,0,2]=4 56 B14R1.1355 COc1cc(ccc1C=CCO)C=O AIFCHEM-6337321062 [0,2,0,0,0,0|0,0,2]=4 57 B14R1.1600 COc1cc(ccc1C=CC(C)O)F AIFCHEM-6326931955 [0,2,0,0,0,0|0,0,2]=4 58 B14R1.4434 COc1cc(c(cc1C=CCO)C)N AIFCHEM-5632086398 [0,2,0,0,0,0|0,0,2]=4 59 B14R1.96 COc1ccccc1CNCC(=O)N AIFCHEM-94550115310 [0,2,0,0,0,0|0,0,2]=4 60 B14R1.476 CCCCC=Cc1ccccc1OC AIFCHEM-6357744227 [0,2,0,0,0,0|1,0,1]=4 61 B14R1.863 COc1ccccc1CNC(=O)CO AIFCHEM-5640000018 [0,2,0,0,0,0|1,0,1]=4 62 B14R1.883 CCCC=Cc1cc(ccc1OC)O AIFCHEM-6474141416 [0,2,0,0,0,0|1,0,1]=4 63 B14R1.883 CCOC=Cc1cc(ccc1OC)C AIFCHEM-94571711972 [0,2,0,0,0,0|1,0,1]=4 64 B14R1.883 CCOC=Cc1cc(ccc1OC)F AIFCHEM-6418459963 [0,2,0,0,0,0|1,0,1]=4 65 B14R1.904 CCCC=Cc1ccccc1OCC AIFCHEM-6301350860 [0,2,0,0,0,0|1,0,1]=4 66 B14R1.3381 CCOC=Cc1c(cccc1OC)O AIFCHEM-6376471179 [0,2,0,0,0,0|1,0,1]=4 67 B14R1.3381 COCC=Cc1c(cccc1OC)F AIFCHEM-6365548030 [0,2,0,0,0,0|0,0,2]=4 68 B14R1.3619 CCCC=Cc1cccc(c1OC)O AIFCHEM-6383279680 [0,2,0,0,0,0|1,0,1]=4 69 B14R1.3619 CCOC=Cc1cccc(c1OC)O AIFCHEM-6365792119 [0,2,0,0,0,0|1,0,1]=4 70 B14R1.3619 COCC=Cc1cccc(c1OC)C AIFCHEM-6361901298 [0,2,0,0,0,0|0,0,2]=4 71 B14R1.482 CCOc1ccccc1CNC(=O)C AIFCHEM-94535595958 [0,2,0,0,0,0|1,0,1]=4 72 B14R1.840 COc1ccccc1C(C)NC(=O)C AIFCHEM-94605352898 [0,2,0,0,0,0|1,0,1]=4 73 B14R1.840 COc1ccccc1[C@@H](C)NC(=O)C AIFCHEM-5982833316 [0,2,0,0,0,0|1,0,1]=4 74 B14R1.840 COc1ccccc1[C@H](C)NC(=O)C AIFCHEM-5943178361 [0,2,0,0,0,0|1,0,1]=4 75 B14R1.786 CC(=O)Oc1ccccc1C=CCO AIFCHEM-6388794833 [0,2,0,0,0,0|0,0,2]=4 76 B14R1.7359 CCOc1cccc(c1C=CCO)F AIFCHEM-6395486994 [0,2,0,0,0,0|0,0,2]=4 77 B14R1.759 COc1ccc(cc1C=CCO)CN AIFCHEM-6092333412 [0,2,0,0,0,0|0,0,2]=4 78 B14R1.759 COc1ccc(cc1C=CCO)CO AIFCHEM-6417112737 [0,2,0,0,0,0|0,0,2]=4 79 B14R1.7434 COc1ccc(c(c1C=CCO)F)F AIFCHEM-6325735120 [0,2,0,0,0,0|0,0,2]=4 80 B14R1.7360 COc1cccc(c1C=CCO)OC AIFCHEM-6327904243 [0,2,0,0,0,0|0,0,2]=4 81 B12R1.280 CC=Cc1cccc(c1C)OC AIFCHEM-6189756030 [0,0,1,1,0,0|1,0,1]=4 82 B14R2.98 CCc1ccccc1c2ccns2 AIFCHEM-6446377270 [0,1,0,1,0,0|1,1,0]=4 83 B14R2.98 CCc1ccccc1c2cscn2 AIFCHEM-6320783933 [0,1,0,1,0,0|2,0,0]=4 84 B14R2.98 CCc1ccccc1c2ncco2 AIFCHEM-6479331609 [0,1,0,1,0,0|1,0,1]=4 85 B14R2.98 CNc1ccccc1c2ccoc2 AIFCHEM-5712693277 [0,1,0,1,0,0|1,0,1]=4 86 B14R2.98 CNc1ccccc1c2ccsc2 AIFCHEM-5745474769 [0,1,0,1,0,0|1,1,0]=4 87 B14R2.98 COc1ccccc1C2=CCNC2 AIFCHEM-6315624706 [0,1,0,1,0,0|1,0,1]=4 88 B14R2.98 COc1ccccc1c2ccoc2 AIFCHEM-6291874026 [0,1,0,1,0,0|0,0,1]=3 89 B14R2.98 COc1ccccc1c2cn[nH]n2 AIFCHEM-6375009983 [0,1,0,1,0,0|2,0,0]=4 90 B14R2.98 COc1ccccc1c2cnoc2 AIFCHEM-6381257139 [0,1,0,1,0,0|1,0,1]=4 91 B14R2.98 COc1cccnc1c2cc[nH]c2 AIFCHEM-6290562105 [0,1,0,1,0,0|2,0,0]=4 92 B14R2.98 COc1ccncc1c2cscn2 AIFCHEM-94603398447 [0,1,0,1,0,0|2,0,0]=4 93 B14R2.98 COc1cnccc1c2ccns2 AIFCHEM-6407167511 [0,1,0,1,0,0|1,1,0]=4 94 B14R2.98 COc1cnccc1c2ncco2 AIFCHEM-6399068392 [0,1,0,1,0,0|1,0,1]=4 95 B14R2.98 CSc1ccccc1c2ccco2 AIFCHEM-94557633489 [0,1,0,1,0,0|0,1,1]=4 96 B14R2.98 CSc1ccccc1c2ccsc2 AIFCHEM-6372326153 [0,1,0,1,0,0|0,2,0]=4 97 B14R2.98 CSc1ccccc1c2nccs2 AIFCHEM-6335681568 [0,1,0,1,0,0|0,2,0]=4 98 B14R2.95 C/C=C(\C)/c1coc2c1cccc2 AIFCHEM-94584220128 [0,1,0,1,0,0|1,0,1]=4 99 B14R2.510 CC=Cc1nn(c2c1cccc2)C AIFCHEM-6406746379 [0,1,0,1,0,0|2,0,0]=4 100 B14R2.517 CC=Cc1c2ccccc2nn1C AIFCHEM-6318854726 [0,1,0,1,0,0|2,0,0]=4 101 B14R2.892 OCC=Cc1cccc2c1COC2 AIFCHEM-6320674188 [0,1,0,1,0,0|0,0,2]=4