0 B15R2.72 CCCN1CCCC1c2ccncc2 AIFCHEM-94569011313 [0,0,1,0,0,0|3,0,0]=4 1 B15R2.72 CCCN1CCC[C@H]1c2ccncc2 AIFCHEM-94569016623 [0,0,1,0,0,0|3,0,0]=4 2 B15R2.118 CCC1CCCC1Nc2ccccc2 AIFCHEM-94552035882 [0,0,1,0,0,0|2,0,0]=3 3 B15R2.118 CCC1CCCN1Cc2ccccn2 AIFCHEM-5850906434 [0,0,1,0,0,0|3,0,0]=4 4 B16R2.157 CC(C)NC1CCC(C1)c2ccccc2 AIFCHEM-94520541360 [0,1,1,0,0,0|2,0,0]=4 5 B16R2.156 CCCN[C@@H]1CCC[C@@H]1c2ccccc2 AIFCHEM-94569018373 [0,1,1,0,0,0|1,0,0]=3 6 B16R2.664 CCCN1CCCC1c2ccccc2Br AIFCHEM-94569010158 [0,1,1,0,0,0|2,0,0]=4 7 B16R2.664 CCCN1CCC[C@H]1c2ccccc2Br AIFCHEM-94569010533 [0,1,1,0,0,0|2,0,0]=4 8 B16R2.1632 CCC1CCCC1Nc2ccccc2C AIFCHEM-5892343439 [0,1,1,0,0,0|2,0,0]=4 9 B16R2.1632 CCC1CCCN1Cc2ccccc2F AIFCHEM-5850931941 [0,1,1,0,0,0|2,0,0]=4 10 B16R2.1632 CCC1CCCN1Cc2ccccc2O AIFCHEM-94532468367 [0,1,1,0,0,0|2,0,0]=4 11 B16R2.2244 CCC1CCCC1Nc2ccc(cc2)Br AIFCHEM-94608714012 [0,1,1,0,0,0|2,0,0]=4 12 B16R2.2244 CCC1CCCC1Nc2ccc(cc2)F AIFCHEM-94552019600 [0,1,1,0,0,0|2,0,0]=4 13 B16R2.2244 CCC1CCCN1Cc2ccc(cc2)Br AIFCHEM-5850882168 [0,1,1,0,0,0|2,0,0]=4 14 B16R2.2244 CCC1CCCN1Cc2ccc(cc2)F AIFCHEM-5817005659 [0,1,1,0,0,0|2,0,0]=4 15 B16R2.100 CCNC(c1ccccc1)C2CCCC2 AIFCHEM-94537419047 [0,1,1,0,0,0|1,0,0]=3 16 B16R2.188 OCC(c1ccccc1)N2CC[C@H](C2)O AIFCHEM-94571991650 [0,1,1,0,0,0|2,0,0]=4 17 B16R2.135 Clc1ccc(cc1)CNCC2CCCC2 AIFCHEM-6117466468 [0,1,1,0,0,0|2,0,0]=4 18 B16R2.524 CN(Cc1ccccc1)CC2CCCC2 AIFCHEM-6201720983 [0,1,1,0,0,0|2,0,0]=4 19 B16R2.2238 CC(NCc1ccccc1)C2CCCC2 AIFCHEM-5867477220 [0,1,1,0,0,0|2,0,0]=4 20 B16R2.2832 F[C@@H]1CCN(C1)CCCc2ccccc2 AIFCHEM-94601053214 [0,1,1,0,0,0|2,0,0]=4 21 B16R2.2832 F[C@H]1CCN(C1)CCCc2ccccc2 AIFCHEM-5682186668 [0,1,1,0,0,0|2,0,0]=4 22 B16R2.2959 Clc1ccccc1CCNC2CCCC2 AIFCHEM-94542376709 [0,1,1,0,0,0|0,0,0]=2 23 B16R2.2959 Ic1ccccc1CNCC2CCCC2 AIFCHEM-94573915961 [0,1,1,0,0,0|2,0,0]=4 24 B16R2.2959 Oc1ccccc1CNCC2CCCC2 AIFCHEM-94573919300 [0,1,1,0,0,0|2,0,0]=4 25 B16R2.5767 CC(CNC1CCCC1)c2ccccc2 AIFCHEM-94542379234 [0,1,1,0,0,0|0,0,0]=2 26 B16R2.5767 CC(NCC1CCCC1)c2ccccc2 AIFCHEM-94560531712 [0,1,1,0,0,0|2,0,0]=4 27 B18R3.8960 Clc1ccc(cc1)NC2CCN3C2CCC3 AIFCHEM-94586004722 [0,1,0,0,0,1|2,0,0]=4 28 B14R1.38 CCCCCNC(C)c1ccccc1 AIFCHEM-94552823963 [0,0,2,0,0,0|2,0,0]=4 29 B14R1.121 CCC(CNCCO)c1ccccc1 AIFCHEM-6412009773 [0,0,2,0,0,0|1,0,0]=3 30 B14R1.121 CCCCN[C@@H](CC)c1ccccc1 AIFCHEM-94523037270 [0,0,2,0,0,0|2,0,0]=4 31 B14R1.121 CCCCN[C@H](CC)c1ccccc1 AIFCHEM-94523036340 [0,0,2,0,0,0|2,0,0]=4 32 B14R1.123 CCCNCCCCc1ccccc1 AIFCHEM-94569017090 [0,0,2,0,0,0|2,0,0]=4 33 B14R1.123 CSCCNCCCc1ccccc1 AIFCHEM-94598918608 [0,0,2,0,0,0|2,0,0]=4 34 B16R3.2958 CCCN1C2CCC1c3c2cccc3 AIFCHEM-94569019419 [0,0,1,1,0,0|2,0,0]=4 35 B14R2.101 c1cc(ccn1)CNC2CCOC2 AIFCHEM-5977649699 [0,0,1,0,1,0|2,0,0]=4 36 B14R2.101 c1cc(ccn1)CN[C@@H]2CCOC2 AIFCHEM-5799404702 [0,0,1,0,1,0|2,0,0]=4 37 B14R2.101 c1cc(ccn1)CN[C@H]2CCOC2 AIFCHEM-94585471913 [0,0,1,0,1,0|2,0,0]=4 38 B14R2.101 c1ccc(cc1)CNC2CCOC2 AIFCHEM-94539147359 [0,0,1,0,1,0|1,0,0]=3 39 B14R2.101 c1ccc(nc1)CNC2CCOC2 AIFCHEM-94559749112 [0,0,1,0,1,0|2,0,0]=4 40 B14R2.101 c1ccc(nc1)CN[C@@H]2CCOC2 AIFCHEM-94564362491 [0,0,1,0,1,0|2,0,0]=4 41 B14R2.101 c1ccc(nc1)CN[C@H]2CCOC2 AIFCHEM-5819728915 [0,0,1,0,1,0|2,0,0]=4 42 B14R2.101 c1cnnc(c1)CNC2CCCC2 AIFCHEM-94542377611 [0,0,1,0,1,0|2,0,0]=4 43 B14R2.322 c1cn(cn1)CCNC2CCCC2 AIFCHEM-94554223781 [0,0,1,0,1,0|2,0,0]=4 44 B14R2.322 c1cnn(c1)CCNC2CCCC2 AIFCHEM-94541517089 [0,0,1,0,1,0|2,0,0]=4 45 B14R2.322 c1ncc(s1)CCNC2CCCC2 AIFCHEM-94541531058 [0,0,1,0,1,0|2,0,0]=4 46 B16R2.7 CCCN1CCC(CC1)c2ccccc2 AIFCHEM-94573054753 [0,0,1,0,0,1|2,0,0]=4 47 B16R2.7 CCNC1CCC(CC1)c2ccccc2 AIFCHEM-94537421331 [0,0,1,0,0,1|2,0,0]=4 48 B16R2.23 CCN1CCCC(C1)Cc2ccccc2 AIFCHEM-94537417553 [0,0,1,0,0,1|2,0,0]=4 49 B16R2.172 COC1CCCCC1Nc2ccccc2 AIFCHEM-94577027537 [0,0,1,0,0,1|2,0,0]=4 50 B16R2.685 CC[C@@H](NC1CCSC1)c2ccccc2 AIFCHEM-5803471781 [0,0,1,0,0,1|2,0,0]=4 51 B16R2.685 CC[C@H](NC1CCSC1)c2ccccc2 AIFCHEM-5660182532 [0,0,1,0,0,1|2,0,0]=4 52 B16R2.685 OCC(NC1CCCC1)c2ccccn2 AIFCHEM-94541518656 [0,0,1,0,0,1|2,0,0]=4 53 B16R2.685 OC[C@H](NC1CCCC1)c2ccccn2 AIFCHEM-94541523932 [0,0,1,0,0,1|2,0,0]=4 54 B16R2.236 CC(c1ccccc1)N2CCCC(C2)F AIFCHEM-94560533227 [0,0,1,0,0,1|2,0,0]=4 55 B16R2.236 CC(c1ccccc1)N2CCC[C@@H](C2)C AIFCHEM-94560525023 [0,0,1,0,0,1|2,0,0]=4 56 B16R2.236 CC(c1ccccc1)N2CCC[C@H](C2)C AIFCHEM-94560526965 [0,0,1,0,0,1|2,0,0]=4 57 B16R2.236 CC1CCCN(C1)C(C)c2ccccc2 AIFCHEM-94560531990 [0,0,1,0,0,1|2,0,0]=4 58 B16R2.2211 c1cc(ccn1)NC2CCCCCCC2 AIFCHEM-94533892558 [0,0,1,0,0,1|2,0,0]=4 59 B16R2.2256 c1ccc(cc1)CNCC2CCCCC2 AIFCHEM-5794476007 [0,0,1,0,0,1|2,0,0]=4 60 B16R2.2257 c1cc(ccn1)CCCNC2CCOC2 AIFCHEM-5811460246 [0,0,1,0,0,1|2,0,0]=4