Mrv1652304272018422D 13 14 0 0 0 0 999 V2000 0.3175 -2.3542 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 -1.6455 -1.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8170 -2.3222 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 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 -0.8250 -1.4290 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1025 -2.7347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4894 -2.1826 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0163 -3.5552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 9 8 1 1 0 0 0 9 12 1 0 0 0 0 10 12 1 0 0 0 0 10 13 2 0 0 0 0 M END > CDB005650 > CDB > CN1[C@@H](CCC1=O)C1=CN=CC=C1 > InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3/t9-/m0/s1 > UIKROCXWUNQSPJ-VIFPVBQESA-N > C10H12N2O > 176.219 > 176.094963014 > 2 > 25 > 18.661457041819048 > 1 > 0 > 0 > 1 > (5S)-1-methyl-5-(pyridin-3-yl)pyrrolidin-2-one > 0.39 > 0.2106345276666668 > -0.18 > 0 > 2 > 0 > 4.789340020074378 > 33.2 > 49.280499999999996 > 1 > 1 > 1.17e+02 g/l > cotinine > 1 > CDB005650 > Cotinined $$$$