FragFp ID child isLeaf Structure of smiles smiles activity Graph Neighbor Count Graph X Graph Y vwQ1219!F4!4#80V08/1%F&2/(4+V0F0 1 2; 3; 4 no gKX@@eKcSP@ C1CC=CN1 3 0.26658356 -0.01902042 HFPF20918F$2408010N(2#2FV50V%6+4$14W!102#4+V0FV 2 5; 6; 7 no diV@@@RfU|kahDB@@ c1ccc2[nH]ccc2c1 4 -0.231793 0.5508311 HNP2209!F(8#8$F&HF01%F&2%4F#1$1%4+V0FV 3 yes gFx@@eJxtm@@ Cc1cc[nH]c1 6 1 0.73449475 -0.49621746 zNub66940H0F014VV80V08$N&HF0104#F84!V02%JF!B10F0V1%44*a0IV 4 yes daFD@FADfyVyii`@ O=C(O)c1cc[nH]c1 7 1 0.09526155 -0.7006606 zNur669K8H0F016ZV80WVN$N!3#LFV50Z#F96!V021#4Jk!B14l0V102#44%4010a0IV 5 yes dcnD@AADfye]aWViB@`@@ O=C(O)c1c[nH]c2ccccc12 8 1 -0.4161031 -0.20283966 zNPn639K8F0F0J2Z080WVN$N103#MkV50V#F96!V021#4Jk!814l0V102#4!4#4011V0kV 6 yes dcmH@DDDfye]aWViB@`@@ NC(=O)c1c[nH]c2ccccc12 9 1 -0.8123296 0.51835513 zNun639K8k0F0J2ZF80WVN0H!N103020MmV50V030F9601V021V!JJl!89BlFV1020Z06!B#401GV0kV 7 yes dg}D@DDCR[fUwXUujP`J`@@ COc2ccc1[nH]cc(C(N)=O)c1c2 10 1 0.47223324 0.64796054