0 B21R2.440004 COC(=O)c1cc(c(s1)C=O)C=CCc2ccccc2 AIFCHEM-6475299540 [0,0,1,0,0,0|3,0,0]=4 1 B21R3.31679 COC(=O)c1cc2cc(ccc2[nH]1)c3ccncc3 AIFCHEM-94530057856 [0,0,0,0,1,0|1,0,0]=2 2 B21R3.31679 COC(=O)c1cc2cc(ccc2s1)c3ccncc3 AIFCHEM-6295208449 [0,0,0,0,1,0|2,0,0]=3 3 B21R3.31679 COC(=O)c1cc2cc(cnc2[nH]1)c3cncnc3 AIFCHEM-6298432993 [0,0,0,0,1,0|3,0,0]=4 4 B21R3.31679 COC(=O)c1cc2ccc(cc2[nH]1)c3ccncc3 AIFCHEM-94530060170 [0,0,0,0,1,0|3,0,0]=4 5 B21R3.31679 COC(=O)c1cc2ccc(cc2o1)c3cccnc3 AIFCHEM-94520916126 [0,0,0,0,1,0|3,0,0]=4 6 B21R3.31679 COC(=O)c1nc2cc(ccc2o1)c3cccnc3 AIFCHEM-6453438546 [0,0,0,0,1,0|3,0,0]=4 7 B21R3.31679 COC(=O)c1nc2cc(ccc2o1)c3ccncc3 AIFCHEM-6425623999 [0,0,0,0,1,0|3,0,0]=4 8 B21R3.31679 COC(=O)c1nc2ccc(cc2s1)c3ccncc3 AIFCHEM-94530052733 [0,0,0,0,1,0|2,0,1]=4 9 B23R3.1375090 COC(=O)c1cc2cc(ccc2o1)C=Cc3cccnc3 AIFCHEM-6406785363 [0,0,0,0,0,1|3,0,0]=4 10 B23R3.1375090 COC(=O)c1cc2cc(cnc2[nH]1)C=Cc3ccccc3 AIFCHEM-6298451720 [0,0,0,0,0,1|2,0,0]=3 11 B23R3.1375090 COC(=O)c1cc2ccc(cc2[nH]1)C=Cc3ccccc3 AIFCHEM-94596280047 [0,0,0,0,0,1|3,0,0]=4 12 B22R3.48378 COC(=O)c1cc2cc(ccc2[nH]1)c3ccc(nc3)N AIFCHEM-94551209677 [0,1,0,0,1,0|1,0,0]=3 13 B22R3.48378 COC(=O)c1cc2cc(ccc2[nH]1)c3cnc(nc3)C AIFCHEM-6325533161 [0,1,0,0,1,0|2,0,0]=4 14 B22R3.48378 COC(=O)c1cc2cc(ccc2[nH]1)c3cnc(nc3)N AIFCHEM-6318082836 [0,1,0,0,1,0|2,0,0]=4 15 B22R3.48378 COC(=O)c1cc2cc(ccc2o1)c3ccc(nc3)C AIFCHEM-6406573840 [0,1,0,0,1,0|2,0,0]=4 16 B22R3.48378 COC(=O)c1cc2cc(ccc2o1)c3ccc(nc3)N AIFCHEM-6422477849 [0,1,0,0,1,0|2,0,0]=4 17 B22R3.48378 COC(=O)c1cc2cc(cnc2[nH]1)c3ccc(nc3)N AIFCHEM-94551205389 [0,1,0,0,1,0|2,0,0]=4 18 B22R3.48378 COC(=O)c1cc2ccc(cc2o1)c3ccc(cc3)O AIFCHEM-6335563634 [0,1,0,0,1,0|2,0,0]=4 19 B22R3.48378 COC(=O)c1nc2cc(ccc2o1)c3ccc(cc3)O AIFCHEM-6425642828 [0,1,0,0,1,0|2,0,0]=4 20 B22R3.48378 COC(=O)c1nc2ccc(cc2[nH]1)c3ccc(cc3)F AIFCHEM-6332612279 [0,1,0,0,1,0|1,0,1]=4 21 B22R3.48378 COC(=O)c1nc2ccc(cc2[nH]1)c3ccc(cc3)N AIFCHEM-6291946493 [0,1,0,0,1,0|1,0,1]=4 22 B22R3.1054423 COC(=O)c1oc2ccc(cc2c1N)c3cccnc3 AIFCHEM-5991317051 [0,1,0,0,1,0|2,0,0]=4 23 B22R3.1054439 COC(=O)c1cc2cc(ccc2[nH]1)c3cccc(c3)F AIFCHEM-6302567035 [0,1,0,0,1,0|0,0,0]=2 24 B22R3.1054439 COC(=O)c1cc2cc(ccc2[nH]1)c3cccc(c3)O AIFCHEM-6325242511 [0,1,0,0,1,0|0,0,0]=2 25 B22R3.1054439 COC(=O)c1cc2cc(ccc2o1)c3cccc(c3)N AIFCHEM-6446327379 [0,1,0,0,1,0|1,0,0]=3 26 B22R3.1054439 COC(=O)c1cc2cc(ccc2o1)c3cncc(c3)F AIFCHEM-6450364650 [0,1,0,0,1,0|2,0,0]=4 27 B22R3.1054439 COC(=O)c1cc2cc(ccc2o1)c3cncc(c3)O AIFCHEM-6450337510 [0,1,0,0,1,0|2,0,0]=4 28 B22R3.1054439 COC(=O)c1cc2cc(ccc2s1)c3cc[nH]c(=O)c3 AIFCHEM-6372807796 [0,1,0,0,1,0|2,0,0]=4 29 B22R3.1054439 COC(=O)c1cc2cc(ccc2s1)c3cccc(c3)F AIFCHEM-6336036669 [0,1,0,0,1,0|1,0,0]=3 30 B22R3.1054439 COC(=O)c1cc2cc(ccc2s1)c3cncc(c3)O AIFCHEM-6375860063 [0,1,0,0,1,0|2,0,0]=4 31 B22R3.1054439 COC(=O)c1cc2cc(cnc2[nH]1)c3ccnc(c3)C AIFCHEM-6298773801 [0,1,0,0,1,0|2,0,0]=4 32 B22R3.1054439 COC(=O)c1cc2ccc(cc2o1)c3cccc(c3)C AIFCHEM-6295511647 [0,1,0,0,1,0|2,0,0]=4 33 B22R3.1054439 COC(=O)c1cc2ccc(cc2s1)c3cccc(c3)F AIFCHEM-6383266083 [0,1,0,0,1,0|2,0,0]=4 34 B22R3.1054439 COC(=O)c1nc2cc(ccc2o1)c3cccc(c3)F AIFCHEM-6422619181 [0,1,0,0,1,0|2,0,0]=4 35 B22R3.1054439 COC(=O)c1nc2ccc(cc2[nH]1)c3cccc(c3)O AIFCHEM-6291829697 [0,1,0,0,1,0|1,0,1]=4 36 B22R3.1054439 COC(=O)c1nc2ccc(cc2o1)c3cccc(c3)N AIFCHEM-94580025003 [0,1,0,0,1,0|1,0,1]=4 37 B22R3.1054443 COC(=O)c1cc2cc(ccc2[nH]1)c3ccccc3F AIFCHEM-6317739057 [0,1,0,0,1,0|0,0,0]=2 38 B22R3.1054443 COC(=O)c1cc2cc(ccc2s1)c3ccccc3F AIFCHEM-6295774974 [0,1,0,0,1,0|1,0,0]=3 39 B22R3.1054443 COC(=O)c1cc2cc(ccc2s1)c3cccnc3N AIFCHEM-6323542936 [0,1,0,0,1,0|2,0,0]=4 40 B22R3.1054443 COC(=O)c1cc2ccc(cc2[nH]1)c3ccccc3N AIFCHEM-6313136472 [0,1,0,0,1,0|2,0,0]=4 41 B22R3.1054443 COC(=O)c1nc2ccc(cc2o1)c3ccccc3F AIFCHEM-6331836947 [0,1,0,0,1,0|1,0,1]=4 42 B24R3.699604 CCOC(=O)c1cc2cc(ccc2o1)C=Cc3ccccc3 AIFCHEM-94596284372 [0,1,0,0,0,1|2,0,0]=4 43 B24R3.699604 CCOC(=O)c1cc2cc(ccc2s1)C=Cc3ccccc3 AIFCHEM-94596274770 [0,1,0,0,0,1|2,0,0]=4 44 B24R3.1131728 COC(=O)c1oc2ccc(cc2c1N)C=Cc3ccccc3 AIFCHEM-6018875013 [0,1,0,0,0,1|2,0,0]=4 45 B24R3.1131747 COC(=O)c1cc2cc(ccc2s1)C=C(C)c3ccccc3 AIFCHEM-94522753449 [0,1,0,0,0,1|2,0,0]=4 46 B24R3.1131747 COC(=O)c1cc2cc(ccc2s1)NC(=O)c3ccccc3 AIFCHEM-94565578374 [0,1,0,0,0,1|2,0,0]=4 47 B24R3.1131754 COC(=O)c1cc2cc(ccc2o1)C=Cc3ccc(cc3)F AIFCHEM-6419102203 [0,1,0,0,0,1|2,0,0]=4 48 B24R3.1131754 COC(=O)c1cc2cc(ccc2s1)C=Cc3ccc(cc3)C AIFCHEM-6323733172 [0,1,0,0,0,1|2,0,0]=4 49 B24R3.1131754 COC(=O)c1cc2cc(ccc2s1)NCc3ccc(cc3)Br AIFCHEM-5628978786 [0,1,0,0,0,1|2,0,0]=4 50 B24R3.1131754 COC(=O)c1cc2cc(ccc2s1)NCc3ccc(cc3)F AIFCHEM-5686703288 [0,1,0,0,0,1|2,0,0]=4 51 B24R3.1131754 COC(=O)c1cc2cc(cnc2[nH]1)C=Cc3ccc(cc3)C AIFCHEM-6299014421 [0,1,0,0,0,1|2,0,0]=4 52 B24R3.38698920 COC(=O)c1cc2cc(ccc2s1)C=Cc3cccc(c3)F AIFCHEM-6376182783 [0,1,0,0,0,1|2,0,0]=4 53 B24R3.38698920 COC(=O)c1cc2cc(ccc2s1)NCc3cccc(c3)Br AIFCHEM-5683633343 [0,1,0,0,0,1|2,0,0]=4 54 B24R3.38698920 COC(=O)c1cc2cc(ccc2s1)NCc3cccc(c3)C AIFCHEM-5629113771 [0,1,0,0,0,1|2,0,0]=4 55 B24R3.38698920 COC(=O)c1cc2cc(ccc2s1)NCc3cccc(c3)F AIFCHEM-5637692202 [0,1,0,0,0,1|2,0,0]=4 56 B24R3.38698920 COC(=O)c1cc2cc(ccc2s1)NCc3cccc(c3)I AIFCHEM-5638765675 [0,1,0,0,0,1|2,0,0]=4 57 B24R3.38698920 COC(=O)c1cc2cc(ccc2s1)NCc3cccc(c3)O AIFCHEM-5686722705 [0,1,0,0,0,1|2,0,0]=4 58 B24R3.38698924 COC(=O)c1cc2cc(ccc2s1)C=Cc3ccccc3C AIFCHEM-6335776574 [0,1,0,0,0,1|2,0,0]=4 59 B24R3.38698924 COC(=O)c1cc2cc(ccc2s1)NCc3ccccc3Br AIFCHEM-5683653482 [0,1,0,0,0,1|2,0,0]=4 60 B24R3.38698924 COC(=O)c1cc2cc(ccc2s1)NCc3ccccc3I AIFCHEM-5628904459 [0,1,0,0,0,1|2,0,0]=4 61 B24R3.38698924 COC(=O)c1cc2cc(ccc2s1)NCc3ccccc3O AIFCHEM-94532462188 [0,1,0,0,0,1|2,0,0]=4 62 B24R3.38698924 COC(=O)c1nc2cc(ccc2[nH]1)NCc3ccccc3O AIFCHEM-94532462101 [0,1,0,0,0,1|2,0,0]=4 63 B20R3.15819 O=C(O)c1cc2cc(ccc2o1)c3ccncc3 AIFCHEM-94530051384 [1,0,0,0,1,0|2,0,0]=4 64 B22R2.25242 COC(=O)CC(=O)Nc1ccc(cc1)Oc2cccnc2 AIFCHEM-94549715370 [0,0,1,0,0,1|2,0,0]=4 65 B22R2.25539 COC(=O)C(C)NCc1ccc(cc1)Oc2ccccc2 AIFCHEM-5798104960 [0,0,1,0,0,1|0,0,2]=4 66 B22R2.25539 COC(=O)[C@@H](C)NCc1ccc(cc1)Oc2ccccc2 AIFCHEM-5702635743 [0,0,1,0,0,1|0,0,2]=4 67 B22R2.25539 COC(=O)[C@H](C)NCc1ccc(cc1)Oc2ccccc2 AIFCHEM-5778121157 [0,0,1,0,0,1|0,0,2]=4 68 B22R2.25245 COC(=O)CC(=O)Nc1cccc(c1)Oc2ccccc2 AIFCHEM-94603137373 [0,0,1,0,0,1|2,0,0]=4 69 B22R3.1051308 COC(=O)c1ccc2cc(ccc2n1)c3ccncc3 AIFCHEM-6306774528 [0,0,0,0,1,1|1,0,1]=4