Mrv1652304272018342D 13 14 0 0 0 0 999 V2000 -3.3000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8875 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 2 9 1 0 0 0 0 3 11 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 10 2 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 11 13 2 0 0 0 0 12 13 1 0 0 0 0 M END > CDB005573 > CDB > CC1=CC2=CC=CC=C2N=C1C=C > InChI=1S/C12H11N/c1-3-11-9(2)8-10-6-4-5-7-12(10)13-11/h3-8H,1H2,2H3 > CKTNKFBFDFFIGI-UHFFFAOYSA-N > C12H11N > 169.227 > 169.089149358 > 1 > 24 > 19.538960276958598 > 1 > 0 > 0 > 1 > 2-ethenyl-3-methylquinoline > 3.43 > 3.6146850366666667 > -2.88 > 0 > 2 > 0 > 4.590226806511831 > 12.89 > 54.25970000000001 > 1 > 1 > 2.23e-01 g/l > 2-ethenyl-3-methylquinoline > 1 > CDB005573 > 3-methyl-2-vinyl-quinoline $$$$