0 B26R4.30890127 N#CCC(C1CCCC1)n2cc(cn2)c3cccc4c3ccs4 AIFCHEM-6455049756 [0,0,0,0,0,0|3,0,0]=3 1 B26R4.30890127 N#CCC(C1CCCC1)n2cc(cn2)c3cccc4c3cno4 AIFCHEM-6321884200 [0,0,0,0,0,0|4,0,0]=4 2 B26R4.30890127 N#CCC(C1CCCC1)n2cc(cn2)c3cccc4c3nco4 AIFCHEM-6188302678 [0,0,0,0,0,0|4,0,0]=4 3 B26R4.30890127 N#CCC(C1CCCC1)n2cc(cn2)c3cccc4c3ncs4 AIFCHEM-6406357416 [0,0,0,0,0,0|4,0,0]=4 4 B26R4.30890127 N#CCC(C1CCCC1)n2cc(cn2)c3cccc4c3occ4 AIFCHEM-6381913848 [0,0,0,0,0,0|4,0,0]=4 5 B26R4.30890127 N#CCC(C1CCCC1)n2cc(cn2)c3cccc4c3ocn4 AIFCHEM-6382843963 [0,0,0,0,0,0|3,0,1]=4 6 B26R4.30890127 N#CCC(C1CCCC1)n2cc(cn2)c3cccc4c3scc4 AIFCHEM-6384769581 [0,0,0,0,0,0|4,0,0]=4 7 B26R4.30890127 N#CCC(C1CCCC1)n2cc(cn2)c3cncc4c3cc[nH]4 AIFCHEM-6357660316 [0,0,0,0,0,0|3,0,0]=3 8 B26R4.30890127 N#CC[C@H](C1CCCC1)n2cc(cn2)c3cccc4c3ccs4 AIFCHEM-6407919471 [0,0,0,0,0,0|3,0,0]=3 9 B26R4.30890127 N#CC[C@H](C1CCCC1)n2cc(cn2)c3cccc4c3cno4 AIFCHEM-6344951922 [0,0,0,0,0,0|4,0,0]=4 10 B26R4.30890127 N#CC[C@H](C1CCCC1)n2cc(cn2)c3cccc4c3nco4 AIFCHEM-6252251836 [0,0,0,0,0,0|4,0,0]=4 11 B26R4.30890127 N#CC[C@H](C1CCCC1)n2cc(cn2)c3cccc4c3ncs4 AIFCHEM-6449797475 [0,0,0,0,0,0|4,0,0]=4 12 B26R4.30890127 N#CC[C@H](C1CCCC1)n2cc(cn2)c3cccc4c3occ4 AIFCHEM-6309424709 [0,0,0,0,0,0|4,0,0]=4 13 B26R4.30890127 N#CC[C@H](C1CCCC1)n2cc(cn2)c3cccc4c3ocn4 AIFCHEM-6289381970 [0,0,0,0,0,0|3,0,1]=4 14 B26R4.30890127 N#CC[C@H](C1CCCC1)n2cc(cn2)c3cccc4c3scc4 AIFCHEM-6371347061 [0,0,0,0,0,0|4,0,0]=4 15 B26R4.30890127 N#CC[C@H](C1CCCC1)n2cc(cn2)c3cncc4c3cc[nH]4 AIFCHEM-6350936639 [0,0,0,0,0,0|3,0,0]=3 16 B27R4.161040972 Cc1cc2c(ccnc2[nH]1)c3cnn(c3)C(CC#N)C4CCCC4 AIFCHEM-6396093378 [0,1,0,0,0,0|1,0,0]=2 17 B27R4.161040972 Cc1cc2c(ccnc2[nH]1)c3cnn(c3)[C@H](CC#N)C4CCCC4 AIFCHEM-6448712417 [0,1,0,0,0,0|1,0,0]=2 18 B27R4.161040972 N#CCC(C1CCCC1)n2cc(cn2)c3cccc4c3oc(=O)[nH]4 AIFCHEM-6476214180 [0,1,0,0,0,0|3,0,0]=4 19 B27R4.161040972 N#CC[C@H](C1CCCC1)n2cc(cn2)c3cccc4c3oc(=O)[nH]4 AIFCHEM-6389797884 [0,1,0,0,0,0|3,0,0]=4 20 B27R4.161041002 N#CCC(C1CCCC1)n2cc(cn2)c3c[nH]c(=O)c4c3cc[nH]4 AIFCHEM-6361281204 [0,1,0,0,0,0|3,0,0]=4 21 B27R4.161041002 N#CC[C@H](C1CCCC1)n2cc(cn2)c3c[nH]c(=O)c4c3cc[nH]4 AIFCHEM-6327128550 [0,1,0,0,0,0|3,0,0]=4 22 B27R4.161041005 Cc1c[nH]c2c1c(ccn2)c3cnn(c3)C(CC#N)C4CCCC4 AIFCHEM-6309767656 [0,1,0,0,0,0|1,0,0]=2 23 B27R4.161041005 Cc1c[nH]c2c1c(ccn2)c3cnn(c3)[C@H](CC#N)C4CCCC4 AIFCHEM-6367043818 [0,1,0,0,0,0|1,0,0]=2 24 B27R4.161041005 N#CCC(C1CCCC1)n2cc(cn2)c3cccc4c3c(=O)[nH][nH]4 AIFCHEM-6287819381 [0,1,0,0,0,0|3,0,0]=4 25 B27R4.161041005 N#CCC(C1CCCC1)n2cc(cn2)c3ccnc4c3c(c[nH]4)N AIFCHEM-5921149932 [0,1,0,0,0,0|1,0,0]=2 26 B27R4.161041005 N#CC[C@H](C1CCCC1)n2cc(cn2)c3cccc4c3c(=O)[nH][nH]4 AIFCHEM-6287707989 [0,1,0,0,0,0|3,0,0]=4 27 B27R4.161041005 N#CC[C@H](C1CCCC1)n2cc(cn2)c3ccnc4c3c(c[nH]4)N AIFCHEM-5938202841 [0,1,0,0,0,0|1,0,0]=2 28 B27R4.161041487 N#CCC(C1CCCC1)n2cc(cn2)c3cc(cc4c3cc[nH]4)N AIFCHEM-94564158878 [0,1,0,0,0,0|2,0,0]=3 29 B27R4.161041487 N#CCC(C1CCCC1)n2cc(cn2)c3cc(cc4c3cn[nH]4)N AIFCHEM-6218900138 [0,1,0,0,0,0|3,0,0]=4 30 B27R4.161041487 N#CC[C@H](C1CCCC1)n2cc(cn2)c3cc(cc4c3cc[nH]4)N AIFCHEM-94564158839 [0,1,0,0,0,0|2,0,0]=3 31 B27R4.161041487 N#CC[C@H](C1CCCC1)n2cc(cn2)c3cc(cc4c3cn[nH]4)N AIFCHEM-6244007883 [0,1,0,0,0,0|3,0,0]=4 32 B25R4.459462431 N#CCC(C1CCCC1)n2cc(cn2)c3csc4c3scc4 AIFCHEM-6323559699 [0,0,0,0,1,0|3,0,0]=4 33 B25R4.459462431 N#CC[C@H](C1CCCC1)n2cc(cn2)c3csc4c3scc4 AIFCHEM-6375845486 [0,0,0,0,1,0|3,0,0]=4 34 B27R4.4571049 N#CCC(C1CCCC1)n2cc(cn2)c3cccc4c3cccc4 AIFCHEM-6362011343 [0,0,0,0,0,1|3,0,0]=4 35 B27R4.4571049 N#CC[C@H](C1CCCC1)n2cc(cn2)c3cccc4c3cccc4 AIFCHEM-6323235624 [0,0,0,0,0,1|3,0,0]=4 36 B24R3.574845 N#CCC(C1CCCC1)n2cc(cn2)c3nccc(c3N)N AIFCHEM-6334071980 [1,0,1,0,0,0|2,0,0]=4 37 B24R3.574845 N#CC[C@H](C1CCCC1)n2cc(cn2)c3nccc(c3N)N AIFCHEM-6350874446 [1,0,1,0,0,0|2,0,0]=4 38 B24R3.574858 N#CCC(C1CCCC1)n2cc(cn2)c3ncccc3C=O AIFCHEM-6376744825 [1,0,1,0,0,0|2,0,0]=4 39 B24R3.574858 N#CC[C@H](C1CCCC1)n2cc(cn2)c3ncccc3C=O AIFCHEM-6327472154 [1,0,1,0,0,0|2,0,0]=4 40 B26R3.4830750 CC(=O)Nc1cncnc1c2cnn(c2)C(CC#N)C3CCCC3 AIFCHEM-72466523128 [0,1,1,0,0,0|2,0,0]=4 41 B26R3.4830750 CC(=O)Nc1cncnc1c2cnn(c2)[C@H](CC#N)C3CCCC3 AIFCHEM-72466523127 [0,1,1,0,0,0|2,0,0]=4 42 B26R3.4830717 CC(=O)Nc1ccnc(c1)c2cnn(c2)[C@H](CC#N)C3CCCC3 AIFCHEM-72466682691 [0,1,1,0,0,0|1,0,1]=4 43 B28R4.44249656 N#CCC(C1CCCC1)n2cc(cn2)c3c(cnc4c3cccc4)N AIFCHEM-5817498343 [0,1,0,0,0,1|2,0,0]=4 44 B28R4.44249656 N#CC[C@H](C1CCCC1)n2cc(cn2)c3c(cnc4c3cccc4)N AIFCHEM-5793183313 [0,1,0,0,0,1|2,0,0]=4 45 B28R4.44249667 Cc1cc(c2ccccc2n1)c3cnn(c3)C(CC#N)C4CCCC4 AIFCHEM-6309970260 [0,1,0,0,0,1|2,0,0]=4 46 B28R4.44249667 Cc1cc(c2ccccc2n1)c3cnn(c3)[C@H](CC#N)C4CCCC4 AIFCHEM-6303200192 [0,1,0,0,0,1|2,0,0]=4 47 B28R4.44249820 Cc1cccc2c1nccc2c3cnn(c3)C(CC#N)C4CCCC4 AIFCHEM-6345135525 [0,1,0,0,0,1|2,0,0]=4 48 B28R4.44249820 Cc1cccc2c1nccc2c3cnn(c3)[C@H](CC#N)C4CCCC4 AIFCHEM-6323631518 [0,1,0,0,0,1|2,0,0]=4 49 B28R4.227474152 N#CCC(C1CCCC1)n2cc(cn2)c3nccc4c3ccc(=O)[nH]4 AIFCHEM-6390421274 [0,1,0,0,0,1|1,0,0]=3 50 B28R4.227474152 N#CC[C@H](C1CCCC1)n2cc(cn2)c3nccc4c3ccc(=O)[nH]4 AIFCHEM-6390284695 [0,1,0,0,0,1|1,0,0]=3 51 B28R4.227474153 Cc1ccc2nccc(c2c1)c3cnn(c3)C(CC#N)C4CCCC4 AIFCHEM-94566087272 [0,1,0,0,0,1|2,0,0]=4 52 B28R4.227474153 Cc1ccc2nccc(c2c1)c3cnn(c3)[C@H](CC#N)C4CCCC4 AIFCHEM-94566087233 [0,1,0,0,0,1|2,0,0]=4 53 B28R4.227474153 N#CCC(C1CCCC1)n2cc(cn2)c3ccnc4c3cc(cc4)F AIFCHEM-6295062808 [0,1,0,0,0,1|2,0,0]=4 54 B28R4.227474153 N#CC[C@H](C1CCCC1)n2cc(cn2)c3ccnc4c3cc(cc4)F AIFCHEM-6294781119 [0,1,0,0,0,1|2,0,0]=4 55 B28R4.227474143 COc1ccc(c2c1[nH]cc2)c3cnn(c3)C(CC#N)C4CCCC4 AIFCHEM-6350075235 [0,2,0,0,0,0|2,0,0]=4 56 B28R4.227474143 COc1ccc(c2c1[nH]cc2)c3cnn(c3)[C@H](CC#N)C4CCCC4 AIFCHEM-6381069761 [0,2,0,0,0,0|2,0,0]=4 57 B28R4.227474143 N#CCC(C1CCCC1)n2cc(cn2)c3ccc(c4c3cc[nH]4)C#N AIFCHEM-6328832095 [0,2,0,0,0,0|2,0,0]=4 58 B28R4.227474143 N#CC[C@H](C1CCCC1)n2cc(cn2)c3ccc(c4c3cc[nH]4)C#N AIFCHEM-6371048566 [0,2,0,0,0,0|2,0,0]=4 59 B28R4.682268438 Cc1cc(c2[nH]ccc2c1c3cnn(c3)C(CC#N)C4CCCC4)C AIFCHEM-6360662723 [0,2,0,0,0,0|2,0,0]=4 60 B28R4.682268438 Cc1cc(c2[nH]ccc2c1c3cnn(c3)[C@H](CC#N)C4CCCC4)C AIFCHEM-6360586187 [0,2,0,0,0,0|2,0,0]=4 61 B26R4.140515 N#CCC(C1CCCC1)n2cc(cn2)c3ncn4c3cccc4 AIFCHEM-6365148403 [0,0,1,1,0,0|1,0,1]=4 62 B26R4.140515 N#CC[C@H](C1CCCC1)n2cc(cn2)c3ncn4c3cccc4 AIFCHEM-6314306816 [0,0,1,1,0,0|1,0,1]=4