Wcorina 01220710483D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 0.0129 1.4477 0.0163 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0953 0.0582 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 2.2752 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2321 2.0992 -0.7804 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 -0.5319 -1.1091 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 0.3129 -2.2305 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4235 1.0536 -1.8511 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3145 2.0674 0.0194 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7147 2.4232 -1.4138 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5077 3.3616 -2.7929 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0873 3.3436 0.9275 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3619 -0.7050 1.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1235 3.0200 -1.4168 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7184 -1.9132 -1.1867 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3105 2.9766 -0.6348 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6381 2.1535 -3.6184 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7474 4.1494 -2.8132 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2760 -2.0841 0.9924 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1493 4.2106 1.0473 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2726 4.0176 0.2641 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2587 -2.6833 -0.1332 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3767 -0.3280 -3.0864 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4010 1.0368 -2.5141 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8207 1.5397 -2.7422 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1584 0.3293 -1.4999 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0404 1.3695 0.4367 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2913 2.9731 0.6256 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0109 3.1512 -1.8175 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6998 1.5237 -2.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2092 3.4893 1.5393 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7789 -0.2288 1.9411 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8273 2.2920 -1.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1384 3.9195 -0.8015 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1345 -2.3858 -2.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1929 2.8341 -1.2409 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4030 1.5036 -3.1931 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9233 2.4351 -4.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6850 1.6253 -3.6425 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6007 5.0722 -2.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0090 4.3887 -3.8439 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5524 3.5719 -2.3587 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6261 -2.6919 1.8136 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1061 5.0328 1.7462 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1183 4.6827 0.3577 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3181 -3.7601 -0.1903 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 8 1 0 0 0 0 2 5 1 0 0 0 0 2 12 2 0 0 0 0 3 4 1 0 0 0 0 3 11 2 0 0 0 0 4 7 1 0 0 0 0 4 15 2 0 0 0 0 5 6 1 0 0 0 0 5 14 2 0 0 0 0 6 7 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 13 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 13 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 11 19 1 0 0 0 0 11 30 1 0 0 0 0 12 18 1 0 0 0 0 12 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 21 1 0 0 0 0 14 34 1 0 0 0 0 15 20 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 21 2 0 0 0 0 18 42 1 0 0 0 0 19 20 2 0 0 0 0 19 43 1 0 0 0 0 20 44 1 0 0 0 0 21 45 1 0 0 0 0 M END > (100605) 100605 $$$$ Wcorina 01220710483D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 0.0125 1.4468 0.0161 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0939 0.0573 0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1293 2.2736 0.0225 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3634 -0.7051 1.0664 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6391 -0.5334 -1.1091 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5078 3.3615 -2.7929 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2316 2.0969 -0.7808 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1633 0.3111 -2.2307 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4222 1.0511 -1.8514 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3146 2.0674 0.0194 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7156 -1.9149 -1.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2785 -2.0854 0.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7147 2.4232 -1.4138 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 -2.6851 -0.1339 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8413 -3.0622 2.3131 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.1236 3.0199 -1.4168 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0882 3.3424 0.9273 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9318 3.7137 -2.8699 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6681 4.4453 -3.3203 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3109 2.9740 -0.6353 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1503 4.2085 1.0468 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2737 4.0149 0.2629 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7798 -0.2284 1.9414 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3746 -0.3299 -3.0866 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3996 1.0354 -2.5142 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8196 1.5369 -2.7426 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1568 0.3265 -1.5002 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0408 1.3700 0.4369 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2906 2.9731 0.6254 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1318 -2.3873 -2.0646 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0110 3.1512 -1.8175 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6998 1.5236 -2.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3148 -3.7620 -0.1915 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1385 3.9194 -0.8015 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8273 2.2919 -1.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2103 3.4887 1.5392 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1288 4.5728 -2.2285 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1895 3.9622 -3.8994 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5339 2.8675 -2.5387 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6244 4.1310 -3.3166 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9738 4.6783 -4.3402 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7831 5.3309 -2.6952 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1933 2.8307 -1.2413 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1078 5.0308 1.7457 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1195 4.6800 0.3558 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 10 1 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 3 7 2 0 0 0 0 3 17 1 0 0 0 0 4 12 1 0 0 0 0 4 23 1 0 0 0 0 5 8 1 0 0 0 0 5 11 2 0 0 0 0 6 16 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 9 1 0 0 0 0 7 20 1 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 13 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 14 1 0 0 0 0 11 30 1 0 0 0 0 12 15 1 0 0 0 0 12 14 2 0 0 0 0 13 16 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 21 2 0 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 22 2 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 M END > (100996) 100996 $$$$ Wcorina 01220710483D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 40 41 0 0 0 0 0 0 0 0999 V2000 -0.1897 1.4714 -0.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1232 -0.0270 -0.4201 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0585 -4.1290 -0.0207 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -4.8978 -1.2251 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5253 1.8691 -0.6898 F 0 0 0 0 0 0 0 0 0 0 0 0 0.3739 2.0754 0.5630 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5205 1.8609 -1.7067 F 0 0 0 0 0 0 0 0 0 0 0 0 0.9185 -6.1328 -1.0178 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0159 -0.8258 -1.5436 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1639 -0.6005 0.8374 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0011 -2.7777 -0.1522 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3472 -5.3065 -1.5949 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0453 -2.1996 -1.4125 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1026 -1.9738 0.9738 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5361 -4.4495 -2.2818 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1657 -4.0571 -1.9267 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7614 -6.5723 -2.0214 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8488 -6.8228 0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3530 -3.2728 -2.6073 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5304 -7.7052 -1.8313 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6178 -7.9556 0.3681 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4569 -8.3982 -0.6374 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5069 -4.2998 -2.0302 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0198 -0.3752 -2.5245 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2433 0.0258 1.7137 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3231 -5.9660 -2.4623 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8051 -5.8281 -0.7544 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1240 -2.8233 -2.2907 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1344 -2.4212 1.9563 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5368 -5.1120 -3.0428 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1898 -3.3976 -1.0593 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7078 -3.5355 -2.7672 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8189 -6.0309 -2.9541 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1938 -6.4766 0.9638 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3625 -3.5918 -2.8665 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3923 -2.6078 -1.7446 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9103 -2.7457 -3.4525 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1885 -8.0490 -2.6156 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5637 -8.4945 1.3025 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0574 -9.2835 -0.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 9 1 0 0 0 0 2 10 2 0 0 0 0 3 11 1 0 0 0 0 3 4 1 0 0 0 0 4 8 1 0 0 0 0 4 12 1 0 0 0 0 4 23 1 0 0 0 0 8 17 2 0 0 0 0 8 18 1 0 0 0 0 9 13 2 0 0 0 0 9 24 1 0 0 0 0 10 14 1 0 0 0 0 10 25 1 0 0 0 0 11 13 1 0 0 0 0 11 14 2 0 0 0 0 12 16 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 28 1 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 20 1 0 0 0 0 17 33 1 0 0 0 0 18 21 2 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 20 22 2 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 M END > (102223) 102223 $$$$ Wcorina 01220710483D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 42 45 0 0 0 0 0 0 0 0999 V2000 -0.0082 1.2586 0.2466 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1867 -0.8352 -0.2522 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0557 2.1095 0.2959 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4576 0.4297 1.3726 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2182 -0.6401 -0.0237 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3690 -0.6359 0.4747 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2649 1.7326 0.8869 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9272 3.3909 -0.2446 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5022 -1.9299 0.9170 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3043 -2.1035 -0.1438 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4705 0.1249 0.0742 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2986 2.6493 0.9879 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9743 4.2895 -0.1564 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3341 -0.4941 1.1783 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2162 -2.6304 0.9694 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1418 -1.8403 -1.2201 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1526 3.9248 0.4686 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8092 5.8800 -0.8321 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.4613 -1.4606 0.2612 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4628 -2.5267 1.8546 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2436 -2.6430 -1.4341 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3973 -2.4607 -0.6919 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6485 0.2733 2.3107 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0083 3.6804 -0.7327 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7225 -2.3672 -1.1152 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3104 -2.5386 -0.0395 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2472 1.1625 0.3224 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0028 0.0792 -0.8759 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2214 2.3684 1.4735 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3103 -0.0093 1.1869 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8497 -0.3546 2.1448 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7458 -2.4573 1.9374 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3801 -3.6989 0.8301 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2440 -1.9900 -1.8014 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9607 4.6363 0.5522 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3631 -1.3224 0.8391 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4299 -2.0360 1.7453 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5683 -3.5899 1.6389 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1028 -2.3970 2.8752 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2055 -3.4179 -2.1854 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2507 -3.1015 -0.8577 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 4 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 3 7 2 0 0 0 0 3 17 1 0 0 0 0 4 8 1 0 0 0 0 4 9 2 0 0 0 0 5 8 1 0 0 0 0 5 7 1 0 0 0 0 5 24 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 20 1 0 0 0 0 8 13 2 0 0 0 0 9 14 1 0 0 0 0 9 25 1 0 0 0 0 10 15 1 0 0 0 0 10 21 1 0 0 0 0 10 16 1 0 0 0 0 11 16 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 15 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 18 1 0 0 0 0 13 30 1 0 0 0 0 14 18 2 0 0 0 0 14 19 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 22 2 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 20 23 2 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 M END > (102261) 102261 $$$$ Wcorina 01220710483D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 49 51 0 0 0 0 0 0 0 0999 V2000 -0.0187 1.5270 0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1631 0.0210 1.1552 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4207 2.0492 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7453 2.0275 -1.2113 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4032 -4.1449 3.4784 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1224 -4.9513 4.4753 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6299 -4.6777 2.7110 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1708 1.4884 1.2098 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7933 -0.5053 1.2123 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4321 3.2263 -1.1639 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7201 1.2904 -2.3805 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9169 -6.3339 4.5415 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0198 -4.3404 5.3584 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6854 1.9890 1.1869 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4781 -6.4711 6.3539 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0782 2.9461 -3.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5943 -7.0837 5.4777 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3859 1.7492 -3.5015 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6907 -5.1018 6.2898 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0991 3.6856 -2.2839 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9143 3.5232 -4.8607 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.1394 -7.2122 7.2697 F 0 0 0 0 0 0 0 0 0 0 0 0 2.9914 -0.5500 2.2256 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7643 -2.0615 2.2951 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6270 -2.6562 3.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0190 -0.3821 0.0528 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4761 -0.3565 -0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9170 1.7290 -0.9166 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4131 3.1380 0.0485 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6820 1.8203 2.1258 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2001 1.8469 1.1972 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8222 -1.5949 1.2014 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3110 -0.1640 2.1282 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4478 3.8038 -0.2514 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1796 0.3561 -2.4182 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2285 -6.8120 3.8603 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1862 -3.2744 5.3096 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7355 2.9521 1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4366 -8.1509 5.5298 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3689 1.1717 -4.4139 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3802 -4.6309 6.9749 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6360 4.6220 -2.2467 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0425 -0.3498 2.0177 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7168 -0.0972 3.1783 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7132 -2.2617 2.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0389 -2.5143 1.3424 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3524 -2.2033 4.3627 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6781 -2.4559 3.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 15 1 0 0 0 0 2 9 1 0 0 0 0 2 24 1 0 0 0 0 2 10 1 0 0 0 0 3 10 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 9 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 11 2 0 0 0 0 5 12 1 0 0 0 0 6 26 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 7 13 2 0 0 0 0 7 14 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 21 1 0 0 0 0 11 35 1 0 0 0 0 12 19 2 0 0 0 0 12 36 1 0 0 0 0 13 18 1 0 0 0 0 13 37 1 0 0 0 0 14 20 2 0 0 0 0 14 38 1 0 0 0 0 15 39 1 0 0 0 0 16 20 1 0 0 0 0 16 23 1 0 0 0 0 16 18 2 0 0 0 0 17 19 1 0 0 0 0 17 22 1 0 0 0 0 17 21 2 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 M END > (103859) 103859 $$$$ Wcorina 01220710483D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 42 44 0 0 0 0 0 0 0 0999 V2000 0.0124 1.4467 0.0161 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0938 0.0572 0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1294 2.2735 0.0225 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2318 2.0967 -0.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6389 -0.5334 -1.1088 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1631 0.3108 -2.2305 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4222 1.0507 -1.8515 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3146 2.0674 0.0194 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5077 3.3615 -2.7929 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7147 2.4232 -1.4138 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0883 3.3422 0.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3638 -0.7056 1.0665 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1235 3.0199 -1.4168 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7152 -1.9150 -1.1862 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3110 2.9735 -0.6357 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8580 3.9385 -2.8347 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2790 -2.0845 0.9931 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1507 4.2084 1.0465 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2553 -2.6844 -0.1326 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2738 4.0148 0.2626 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3742 -0.3304 -3.0863 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3996 1.0352 -2.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8196 1.5364 -2.7428 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1568 0.3261 -1.5003 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0408 1.3701 0.4369 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2905 2.9731 0.6254 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8347 3.9857 -3.2119 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0110 3.1512 -1.8175 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6998 1.5236 -2.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2105 3.4886 1.5389 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7803 -0.2290 1.9416 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1384 3.9195 -0.8015 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8273 2.2920 -1.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1308 -2.3880 -2.0637 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1933 2.8301 -1.2417 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5738 3.2169 -2.4409 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8849 4.8445 -2.2292 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1173 4.1823 -3.8649 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6295 -2.6920 1.8144 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1082 5.0309 1.7451 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3138 -3.7613 -0.1896 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1199 4.6794 0.3558 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 8 1 0 0 0 0 2 5 1 0 0 0 0 2 12 2 0 0 0 0 3 4 2 0 0 0 0 3 11 1 0 0 0 0 4 7 1 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 5 14 2 0 0 0 0 6 7 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 13 1 0 0 0 0 9 16 1 0 0 0 0 9 27 1 0 0 0 0 10 13 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 18 2 0 0 0 0 11 30 1 0 0 0 0 12 17 1 0 0 0 0 12 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 19 1 0 0 0 0 14 34 1 0 0 0 0 15 20 2 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 19 2 0 0 0 0 17 39 1 0 0 0 0 18 20 1 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 M END > (106243) 106243 $$$$ Wcorina 01220710483D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 57 61 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4025 0.0098 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1947 -0.6541 -0.0025 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3099 1.3687 -0.0195 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3354 0.0524 -0.0262 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1509 5.5789 -1.2744 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1747 2.0623 0.0019 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0911 4.4409 -1.8951 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4167 4.1804 -2.4626 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4536 6.1159 -1.3864 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2234 5.2734 -2.1044 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3204 2.1588 0.0201 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1021 3.0510 -1.4036 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.9542 3.1367 -3.2204 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5516 5.3042 -2.5099 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0425 -0.6340 -0.0002 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8806 3.5507 -2.0109 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8315 2.3138 -1.4137 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0643 4.2637 -3.2584 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7490 4.3136 -2.7052 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4192 3.1299 -0.6129 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5038 3.4259 -2.7654 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1546 2.2765 -0.7337 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1491 -2.1166 0.0261 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2622 3.1838 -3.6099 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6965 -0.5976 -0.0666 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 3.5689 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3563 4.2948 -3.6522 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4718 -2.7182 -0.4406 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6051 -2.0618 0.3582 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0544 1.6098 0.6101 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1652 3.1443 0.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3366 2.2952 -3.4977 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1812 6.1392 -2.2401 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1344 2.6647 -2.5928 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0976 2.8627 -2.0036 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9868 1.3282 -1.8526 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0561 4.5788 -3.7168 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5230 5.2199 -2.1434 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2037 4.0176 -0.0182 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2051 2.5494 -0.1296 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6919 3.9713 -3.2464 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7266 2.5262 -3.3389 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3743 1.3822 -1.3168 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8153 1.9871 0.2609 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9452 -2.4480 1.0443 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3487 -2.4621 -0.6282 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6765 2.3765 -4.1955 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0916 -0.5416 -1.0809 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3677 -0.0683 0.6097 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2422 3.9102 0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6903 3.9528 -0.8616 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 3.9334 0.9181 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4704 -3.7934 -0.2612 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6100 -2.5224 -1.5039 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5470 -2.5668 0.1443 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3874 -2.1230 1.4245 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 7 2 0 0 0 0 1 12 1 0 0 0 0 2 3 1 0 0 0 0 2 16 2 0 0 0 0 3 24 1 0 0 0 0 3 5 1 0 0 0 0 4 7 1 0 0 0 0 4 5 2 0 0 0 0 5 26 1 0 0 0 0 6 8 2 0 0 0 0 6 10 1 0 0 0 0 7 27 1 0 0 0 0 8 17 1 0 0 0 0 8 9 1 0 0 0 0 9 11 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 11 15 1 0 0 0 0 12 18 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 18 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 14 25 2 0 0 0 0 14 33 1 0 0 0 0 15 19 2 0 0 0 0 15 34 1 0 0 0 0 17 21 1 0 0 0 0 17 20 1 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 25 1 0 0 0 0 19 28 1 0 0 0 0 20 22 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 23 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 29 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 48 1 0 0 0 0 26 30 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 29 30 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 M END > (107714) 107714 $$$$ Wcorina 01220710483D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 71 77 0 0 0 0 0 0 0 0999 V2000 -0.0469 1.3609 0.4324 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0474 0.0704 -0.0953 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1329 -0.4796 -0.5948 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2993 0.2522 -0.5674 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3001 1.5439 -0.0398 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1195 2.0934 0.4602 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5747 -0.3423 -1.1067 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5552 2.3314 -0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3121 2.4817 -1.1722 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4783 3.2126 -1.1452 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9037 3.8046 0.0469 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1448 3.6540 1.2103 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9762 2.9270 1.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3036 -0.7182 -0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4471 -1.9330 -0.5880 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5993 -2.2919 -0.4664 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3240 -1.3212 0.0989 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5138 -0.3178 0.3268 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7955 -1.3742 0.4198 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1549 4.5887 0.0771 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4196 5.3467 -0.8359 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0034 4.4639 1.1168 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8552 3.5014 2.2119 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0601 3.7503 3.1335 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8238 4.8743 2.4686 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1586 5.2301 1.3064 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9855 5.5204 2.8404 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5065 6.5437 2.0549 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8402 6.8963 0.8859 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6835 6.2530 0.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6134 7.3158 2.2445 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9873 7.9235 0.9945 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6462 7.9997 0.2416 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8499 7.7258 -1.2427 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6549 8.8703 -1.8656 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9468 10.1388 -1.6506 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8204 10.4433 -0.2195 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9857 9.3542 0.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6074 11.2384 -2.3665 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9619 1.7880 0.8154 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1323 -1.4795 -1.0029 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1197 3.0933 0.8684 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6259 -0.1772 -2.1829 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4293 0.1331 -0.6252 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5916 -1.4128 -0.9022 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9832 2.0241 -2.0935 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0643 3.3282 -2.0449 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4728 4.1111 2.1322 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3893 2.8107 2.0791 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1984 -2.3413 0.1189 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9387 -1.2385 1.4918 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3136 -0.5811 -0.1193 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9243 3.6811 2.7497 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8788 2.4825 1.8255 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7240 4.0537 4.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6800 2.8561 3.1985 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4937 5.2297 3.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1749 6.5443 -0.3932 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3968 8.9206 1.1566 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6975 7.2956 0.4565 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3928 6.7890 -1.3683 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8803 7.6532 -1.7353 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6384 8.9193 -1.3983 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7689 8.6944 -2.9352 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8112 10.4783 0.2336 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3295 11.4085 -0.0952 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9834 9.3435 0.0328 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9225 9.5590 1.5297 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6192 11.0213 -3.4346 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0626 12.1659 -2.1902 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6306 11.3438 -2.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 40 1 0 0 0 0 2 3 1 0 0 0 0 2 14 1 0 0 0 0 3 4 2 0 0 0 0 3 41 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 42 1 0 0 0 0 7 43 1 0 0 0 0 7 44 1 0 0 0 0 7 45 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 46 1 0 0 0 0 10 11 2 0 0 0 0 10 47 1 0 0 0 0 11 12 1 0 0 0 0 11 20 1 0 0 0 0 12 13 2 0 0 0 0 12 48 1 0 0 0 0 13 49 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 25 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 30 1 0 0 0 0 27 28 2 0 0 0 0 27 57 1 0 0 0 0 28 29 1 0 0 0 0 28 31 1 0 0 0 0 29 30 2 0 0 0 0 29 33 1 0 0 0 0 30 58 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 59 1 0 0 0 0 32 60 1 0 0 0 0 33 34 1 0 0 0 0 33 38 1 0 0 0 0 34 35 1 0 0 0 0 34 61 1 0 0 0 0 34 62 1 0 0 0 0 35 36 1 0 0 0 0 35 63 1 0 0 0 0 35 64 1 0 0 0 0 36 37 1 0 0 0 0 36 39 1 0 0 0 0 37 38 1 0 0 0 0 37 65 1 0 0 0 0 37 66 1 0 0 0 0 38 67 1 0 0 0 0 38 68 1 0 0 0 0 39 69 1 0 0 0 0 39 70 1 0 0 0 0 39 71 1 0 0 0 0 M END > (126118) 126118 $$$$ Wcorina 01220710483D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 42 45 0 1 0 999 V2000 -0.0176 1.4487 0.0100 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5517 0.4026 -1.9416 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4328 -0.4497 -1.4014 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9923 1.5519 -1.3061 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3815 1.9502 -0.0007 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7495 -0.3544 -2.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2111 -1.4860 -2.9783 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3739 0.8635 -2.5302 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6666 2.1363 1.1226 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9214 -0.1796 -4.0368 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3048 -0.0684 -5.1224 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4581 0.9545 -3.3806 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2941 -1.4025 -3.8308 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1439 0.0246 -3.1382 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9943 2.3195 -1.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1813 3.4631 0.1803 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0408 3.5106 1.2363 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5023 -1.7740 -5.7077 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5759 1.9399 -3.0635 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1498 0.7871 -3.6957 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9465 1.5255 0.8291 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7669 -1.4863 -1.3577 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7148 -0.3690 0.7416 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9932 -0.3893 0.2239 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7236 -2.4362 -2.8171 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0134 1.7444 -2.0199 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7271 2.2750 0.9122 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5361 1.5683 2.0437 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9433 1.9064 -3.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6536 -2.2865 -4.3365 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8156 -0.8753 -3.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3246 3.2201 -1.3727 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0871 3.9330 0.5635 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8674 3.9291 -0.7537 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6564 4.3160 1.0051 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4550 3.6421 2.2359 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5930 -2.0903 -6.2188 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6884 -2.4305 -4.8577 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3441 -1.8260 -6.3981 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3596 2.5408 -3.5007 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6043 0.4830 -4.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 10 1 0 0 0 0 2 4 1 0 0 0 0 2 15 2 0 0 0 0 2 3 1 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 3 23 1 0 0 0 0 4 6 1 0 0 0 0 4 16 2 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 6 17 1 0 0 0 0 6 22 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 14 1 0 0 0 0 8 26 1 0 0 0 0 9 13 2 0 0 0 0 9 27 1 0 0 0 0 10 18 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 13 1 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 19 1 0 0 0 0 13 30 1 0 0 0 0 14 31 1 0 0 0 0 15 21 1 0 0 0 0 15 32 1 0 0 0 0 16 20 1 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 2 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 M END > (147729) 147729 $$$$ Wcorina 01220710483D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 43 45 0 1 0 999 V2000 -0.0494 1.6862 0.0602 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1602 0.1537 0.1017 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4308 2.0748 0.0026 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3853 -0.3625 -1.1819 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1041 1.6764 1.2907 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8511 -0.1521 -1.0444 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1081 1.3582 -1.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6770 2.2714 1.2991 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8301 -0.3633 1.1705 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4062 1.3493 1.2942 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4720 1.6514 2.3202 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1591 -0.5655 0.4132 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1636 1.5431 2.1314 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0717 -1.7876 -1.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6955 3.6016 1.4778 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9808 1.1168 2.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5739 0.0339 3.2698 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9790 1.9586 2.9724 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3165 4.0947 2.6942 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5617 1.7199 4.2019 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1597 -0.2005 4.4987 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1508 0.6430 4.9656 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5611 2.0655 -0.8243 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5176 3.1527 -0.1335 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1828 -0.1794 0.2789 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4206 -0.7271 -1.7744 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6935 1.7228 -2.1088 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1809 1.5493 -1.1428 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9533 0.3755 1.9624 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4816 -1.3096 1.5844 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4640 -1.6111 0.4546 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9358 0.0739 0.8328 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0097 -1.9242 -1.3517 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4821 -2.1394 -2.2985 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5100 -2.3564 -0.5321 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7996 -0.6251 2.9056 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3006 2.7997 2.3761 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2638 5.1832 2.7136 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3599 3.7808 2.7225 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7918 3.6901 3.5598 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3391 2.3748 4.5669 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8434 -1.0434 5.0952 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6075 0.4581 5.9266 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 8 1 0 0 0 0 1 23 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 2 25 1 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 3 24 1 0 0 0 0 4 14 1 0 0 0 0 4 6 1 0 0 0 0 5 10 1 0 0 0 0 5 11 2 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 6 26 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 13 2 0 0 0 0 8 15 1 0 0 0 0 9 12 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 16 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 19 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 21 1 0 0 0 0 17 36 1 0 0 0 0 18 20 2 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 22 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 M END > (298461) 298461 $$$$ Wcorina 01220710483D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 50 52 0 0 0 999 V2000 -0.1426 1.4944 0.1523 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2196 -0.0347 0.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2882 -0.6170 -0.9817 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3258 1.9064 0.0146 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0819 1.0071 2.4472 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7533 -0.3712 -0.9136 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0551 1.5990 1.2971 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3858 1.0410 3.6746 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9737 1.1334 -1.1377 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4026 1.2918 1.2637 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9062 1.9307 -1.0714 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8207 -0.4678 1.3477 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0285 1.3587 3.6863 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5176 0.6790 2.4177 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0884 0.7423 4.9342 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3738 1.6378 2.5011 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1243 -0.6902 0.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4564 1.1087 -1.7653 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8811 -0.4191 2.0547 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2416 0.3689 4.9112 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0015 -2.0553 -1.0545 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9752 3.2327 -1.3906 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5345 1.7084 2.8387 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3739 0.9008 6.2515 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7276 3.5802 -2.5828 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5715 1.9622 1.0385 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2276 -0.3756 0.5252 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3848 2.9756 -0.1887 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3071 -0.9784 -1.6297 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5166 1.4329 -2.0808 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0425 1.3458 -1.1644 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9289 1.2727 0.3208 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9579 0.3195 2.0889 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5079 -1.3938 1.8302 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4885 1.3865 4.6212 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3223 1.8839 2.5145 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4524 -1.7256 0.6447 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9025 -0.0123 0.9035 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0791 -2.2119 -1.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3804 -2.4558 -1.9936 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4790 -2.5654 -0.2198 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3517 1.9977 3.8736 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5359 1.2871 2.7507 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4514 2.5851 2.1964 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 1.2421 6.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3507 -0.0577 6.7699 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8999 1.6328 6.8644 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2833 3.0895 -3.4488 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7606 3.2514 -2.4692 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7038 4.6606 -2.7255 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 1 0 0 0 0 1 11 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 12 1 0 0 0 0 2 27 1 0 0 0 0 3 21 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 4 28 1 0 0 0 0 5 10 1 0 0 0 0 5 14 1 0 0 0 0 5 8 2 0 0 0 0 6 9 1 0 0 0 0 6 17 1 0 0 0 0 6 29 1 0 0 0 0 7 10 2 0 0 0 0 7 16 1 0 0 0 0 8 13 1 0 0 0 0 8 15 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 32 1 0 0 0 0 11 18 2 0 0 0 0 11 22 1 0 0 0 0 12 17 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 16 2 0 0 0 0 13 35 1 0 0 0 0 14 19 2 0 0 0 0 14 23 1 0 0 0 0 15 20 2 0 0 0 0 15 24 1 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 25 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 M END > (319036) 319036 $$$$ Wcorina 01220710483D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 42 44 0 0 0 999 V2000 -0.1702 1.3185 -0.4204 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6693 -0.0088 0.1728 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2136 -1.0959 -0.7339 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3611 1.3228 -0.4065 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2493 -1.1701 -0.4768 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8880 0.0728 -1.1171 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8654 2.5529 -1.1162 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6625 1.4545 -1.8383 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1052 -0.2604 1.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3793 3.6083 -0.3862 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8434 4.7401 -1.0372 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3730 -1.0278 1.0578 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7907 4.8109 -2.4259 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8183 2.6210 -2.4963 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7037 0.4857 -2.5590 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2744 3.7495 -3.1517 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8713 -2.3672 -0.4037 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0552 2.6520 -2.3004 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3489 5.7794 -0.3205 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2398 5.9218 -3.0691 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5176 2.7085 -3.6756 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5430 2.1493 0.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7502 -0.0149 0.3133 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7143 1.3297 0.6246 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6874 -2.0956 -0.8505 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6245 0.1152 -2.1739 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9717 0.0220 -1.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3752 0.6861 1.9553 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4918 -0.8655 2.1692 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4188 3.5509 0.6916 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3993 -2.0104 1.5289 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2663 -0.4587 1.3152 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4201 1.7925 -3.0633 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2280 3.8039 -4.2293 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9506 -2.2555 -0.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5200 -3.1449 -1.0818 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6313 -2.6446 0.6228 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3010 5.7216 -0.1618 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5632 6.5996 -3.2027 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7173 2.3857 -4.3416 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3785 2.0511 -3.7969 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8040 3.7312 -3.9209 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 1 0 0 0 0 1 8 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 9 1 0 0 0 0 2 23 1 0 0 0 0 3 17 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 5 25 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 10 2 0 0 0 0 7 14 1 0 0 0 0 8 15 2 0 0 0 0 8 18 1 0 0 0 0 9 12 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 11 19 1 0 0 0 0 11 13 2 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 16 1 0 0 0 0 13 20 1 0 0 0 0 14 16 2 0 0 0 0 14 33 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 21 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 M END > (319219) 319219 $$$$ Wcorina 01220710483D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 48 50 0 0 0 999 V2000 -0.1702 1.3185 -0.4205 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6693 -0.0088 0.1727 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2135 -1.0959 -0.7339 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3611 1.3228 -0.4065 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2493 -1.1701 -0.4768 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8881 0.0728 -1.1171 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8655 2.5529 -1.1162 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6624 1.4545 -1.8383 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1052 -0.2604 1.4869 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3794 3.6083 -0.3861 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8435 4.7400 -1.0371 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3730 -1.0279 1.0578 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7908 4.8110 -2.4258 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8183 2.6210 -2.4962 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7036 0.4857 -2.5591 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2745 3.7495 -3.1516 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8713 -2.3672 -0.4038 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0552 2.6520 -2.3004 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3489 5.7794 -0.3204 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2399 5.9218 -3.0690 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5175 2.7086 -3.6757 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3713 5.6370 1.1013 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1495 5.9270 -4.4951 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5430 2.1493 0.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7502 -0.0149 0.3133 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7143 1.3297 0.6246 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6874 -2.0956 -0.8506 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6246 0.1152 -2.1739 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9717 0.0220 -1.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3751 0.6861 1.9553 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4918 -0.8656 2.1692 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4188 3.5509 0.6916 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3993 -2.0104 1.5289 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2663 -0.4588 1.3152 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4202 1.7926 -3.0633 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2281 3.8040 -4.2292 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9506 -2.2555 -0.5071 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5200 -3.1449 -1.0819 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6313 -2.6446 0.6227 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8039 3.7313 -3.9209 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7172 2.3858 -4.3416 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3784 2.0511 -3.7969 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3548 5.4951 1.4683 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9787 4.7728 1.3704 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7975 6.5344 1.5497 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5405 6.8685 -4.8806 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 5.0990 -4.8991 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1068 5.8173 -4.7934 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 1 0 0 0 0 1 8 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 9 1 0 0 0 0 2 25 1 0 0 0 0 3 17 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 5 27 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 10 2 0 0 0 0 7 14 1 0 0 0 0 8 15 2 0 0 0 0 8 18 1 0 0 0 0 9 12 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 11 19 1 0 0 0 0 11 13 2 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 16 1 0 0 0 0 13 20 1 0 0 0 0 14 16 2 0 0 0 0 14 35 1 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 21 1 0 0 0 0 19 22 1 0 0 0 0 20 23 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 M END > (319532) 319532 $$$$ Wcorina 01220710483D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 65 69 0 0 0 999 V2000 -0.1061 1.2653 0.8045 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8277 0.8950 -0.2279 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3707 1.5745 -1.2990 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7651 2.1321 0.4239 N 0 0 0 0 0 0 0 0 0 0 0 0 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1.7981 4.1246 -1.0677 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 4 1 0 0 0 0 2 3 1 0 0 0 0 2 9 1 0 0 0 0 3 8 1 0 0 0 0 4 8 2 0 0 0 0 5 6 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 13 1 0 0 0 0 6 19 2 0 0 0 0 7 17 1 0 0 0 0 7 11 1 0 0 0 0 7 21 2 0 0 0 0 8 36 1 0 0 0 0 9 14 1 0 0 0 0 9 24 2 0 0 0 0 10 16 2 0 0 0 0 10 20 1 0 0 0 0 10 12 1 0 0 0 0 11 18 1 0 0 0 0 11 37 1 0 0 0 0 12 14 2 0 0 0 0 12 35 1 0 0 0 0 13 18 2 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 15 30 1 0 0 0 0 15 34 1 0 0 0 0 15 31 1 0 0 0 0 16 24 1 0 0 0 0 16 40 1 0 0 0 0 17 26 2 0 0 0 0 17 25 1 0 0 0 0 18 32 1 0 0 0 0 19 29 1 0 0 0 0 19 33 1 0 0 0 0 20 27 1 0 0 0 0 20 28 2 0 0 0 0 22 31 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 30 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 24 45 1 0 0 0 0 25 27 2 0 0 0 0 25 46 1 0 0 0 0 26 28 1 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 29 32 2 0 0 0 0 29 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 32 55 1 0 0 0 0 33 56 1 0 0 0 0 34 57 1 0 0 0 0 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(348851) 348851 $$$$ Wcorina 01220710483D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 65 68 0 0 0 999 V2000 -2.5151 -2.4856 0.8922 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3288 -1.9451 0.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4252 -4.1874 -1.8856 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1476 -9.3980 -8.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1357 -7.1789 -5.9552 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3571 -2.8439 -1.9693 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0937 -8.1295 -5.6006 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4471 -8.6259 -7.9233 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5781 -2.6613 -0.5368 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7452 -8.8482 -6.5778 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1159 -4.4862 2.1334 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8336 -6.9605 -7.2994 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1239 -4.9583 -2.9342 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5978 -2.1222 -1.0404 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0458 -10.2816 -8.6434 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4346 -6.4055 -4.9031 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9032 -0.6841 0.7952 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9116 -4.7648 -0.9469 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3953 -2.7559 2.3318 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8961 -3.7020 0.1609 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4849 -7.6792 -8.2774 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1948 -6.3509 -2.8478 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7093 -4.2956 -4.0159 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8457 -7.0685 -3.8258 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3598 -5.0150 -4.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2707 -0.1504 0.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2356 -4.2159 0.6939 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7348 -3.2698 2.8648 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8496 -9.1820 -10.3021 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0214 -0.8674 -0.6226 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6411 0.0231 1.6936 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3610 -5.0535 2.6679 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4158 -8.3691 -4.1481 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1450 1.3089 2.0714 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8341 -2.3771 -2.6731 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9077 -3.6374 -0.8609 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4869 -9.5837 -6.3034 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0886 -6.2281 -7.5733 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5049 -10.7876 -9.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6249 -3.5089 2.4975 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1248 -1.8375 2.8529 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9907 -3.4734 -0.9007 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1314 -4.4658 0.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2544 -7.5066 -9.3183 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7393 -6.8643 -2.0139 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6511 -3.2195 -4.0859 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9003 -8.1451 -3.7593 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8159 -4.5026 -5.8271 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6001 0.8271 0.6098 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5061 -5.1343 0.1728 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0060 -3.4629 0.5281 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4995 -2.5060 2.7237 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6402 -3.4984 3.9263 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1808 -8.5240 -10.5483 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3087 -9.6880 -10.9907 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9367 -0.4492 -1.0149 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5842 -5.9886 2.1542 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2449 -5.2439 3.7349 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1779 -4.3490 2.5113 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7622 -9.1477 -3.7547 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4547 -8.6849 -4.0536 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2632 -7.4482 -3.5854 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1592 1.1995 2.5235 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0714 1.9438 1.1884 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8260 1.7641 2.7905 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 9 1 0 0 0 0 2 17 2 0 0 0 0 3 6 1 0 0 0 0 3 13 1 0 0 0 0 3 18 2 0 0 0 0 4 8 1 0 0 0 0 4 15 2 0 0 0 0 4 29 1 0 0 0 0 5 16 1 0 0 0 0 5 7 1 0 0 0 0 5 12 2 0 0 0 0 6 14 1 0 0 0 0 6 35 1 0 0 0 0 7 10 2 0 0 0 0 7 33 1 0 0 0 0 8 21 2 0 0 0 0 8 10 1 0 0 0 0 9 14 2 0 0 0 0 9 36 1 0 0 0 0 10 37 1 0 0 0 0 11 27 1 0 0 0 0 11 32 1 0 0 0 0 11 28 1 0 0 0 0 12 21 1 0 0 0 0 12 38 1 0 0 0 0 13 22 2 0 0 0 0 13 23 1 0 0 0 0 14 30 1 0 0 0 0 15 39 1 0 0 0 0 16 25 1 0 0 0 0 16 24 2 0 0 0 0 17 26 1 0 0 0 0 17 31 1 0 0 0 0 19 28 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 27 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 44 1 0 0 0 0 22 24 1 0 0 0 0 22 45 1 0 0 0 0 23 25 2 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 25 48 1 0 0 0 0 26 30 2 0 0 0 0 26 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 30 56 1 0 0 0 0 31 34 1 0 0 0 0 32 57 1 0 0 0 0 32 58 1 0 0 0 0 32 59 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 33 62 1 0 0 0 0 34 63 1 0 0 0 0 34 64 1 0 0 0 0 34 65 1 0 0 0 0 M END > (348903) 348903 $$$$ Wcorina 01220710483D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 71 75 0 0 0 999 V2000 -0.4998 1.5914 -1.4702 S 0 0 0 0 0 0 0 0 0 0 0 0 -12.6196 -10.8485 2.9203 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.5629 -9.8582 2.0602 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6901 -9.9051 1.3222 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.7176 -11.4968 2.7487 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4578 -1.5069 -1.2242 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3596 -0.3954 -0.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4588 -1.7639 -2.1700 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1657 -3.2178 1.1559 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3995 -10.9507 1.7804 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2919 0.4418 -0.4946 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.4679 -8.8756 1.9261 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4127 -7.0312 1.6746 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6283 -2.9681 -0.0546 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.3315 -8.0391 2.6367 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5441 -2.3613 -1.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3513 -8.9550 2.7622 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5524 -3.3285 -3.4399 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.5250 -6.9547 0.8355 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7928 2.1622 -1.6198 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1707 0.9978 -2.5733 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2597 -4.2008 1.2896 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5305 -2.1067 -0.1691 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3148 -6.0454 1.5405 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7497 -2.6338 2.1379 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8224 -2.9033 -3.0239 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8382 -1.9913 -1.5175 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5458 -7.8701 0.9598 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3491 -0.1424 0.5454 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8171 -4.4600 2.5445 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7420 -4.8679 0.1605 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8370 -5.3759 2.6681 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7619 -5.7836 0.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9161 -2.1891 -2.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2554 -3.1011 -4.0924 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6030 2.7344 -0.5944 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4288 -0.9977 0.6605 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6010 -3.5983 -4.4326 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1297 -8.1212 3.5422 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7407 -11.4088 1.2683 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0022 -3.3851 -0.8466 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6229 -3.2234 -1.7577 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2885 -9.7346 3.5069 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5872 -6.1745 0.0912 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9004 -3.8039 -2.4149 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7800 -2.7056 -3.5056 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0913 -1.1288 -0.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7791 -2.8815 -0.8913 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4064 -7.8110 0.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2723 0.7192 1.1921 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4475 -3.9421 3.4172 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3148 -4.6650 -0.8104 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2680 -5.5764 3.6379 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1320 -6.3023 -0.5859 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8737 -2.3868 -2.1043 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9940 -1.2886 -3.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3145 -2.2109 -4.7185 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0023 -3.9636 -4.7089 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1256 3.0649 0.3281 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8079 3.5980 -1.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5383 2.2271 -0.3579 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1970 -0.8006 1.3936 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5352 -3.8293 -3.9207 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3064 -4.4460 -5.0512 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7396 -2.7196 -5.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3102 -7.5302 4.4401 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9547 -9.1605 3.8204 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2549 -7.7323 3.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5955 -12.1340 0.4676 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3010 -11.8717 2.0806 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2957 -10.5520 0.8863 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 20 2 0 0 0 0 1 21 2 0 0 0 0 1 36 1 0 0 0 0 2 3 2 0 0 0 0 2 5 1 0 0 0 0 3 12 1 0 0 0 0 3 4 1 0 0 0 0 4 10 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 6 16 1 0 0 0 0 7 11 1 0 0 0 0 7 29 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 14 1 0 0 0 0 9 22 1 0 0 0 0 9 25 2 0 0 0 0 10 40 1 0 0 0 0 12 28 2 0 0 0 0 12 17 1 0 0 0 0 13 24 1 0 0 0 0 13 15 1 0 0 0 0 13 19 2 0 0 0 0 14 23 1 0 0 0 0 14 41 1 0 0 0 0 15 17 2 0 0 0 0 15 39 1 0 0 0 0 16 23 2 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 18 34 1 0 0 0 0 18 38 1 0 0 0 0 18 35 1 0 0 0 0 19 28 1 0 0 0 0 19 44 1 0 0 0 0 22 30 1 0 0 0 0 22 31 2 0 0 0 0 23 37 1 0 0 0 0 24 33 2 0 0 0 0 24 32 1 0 0 0 0 26 35 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 27 34 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 29 37 2 0 0 0 0 29 50 1 0 0 0 0 30 32 2 0 0 0 0 30 51 1 0 0 0 0 31 33 1 0 0 0 0 31 52 1 0 0 0 0 32 53 1 0 0 0 0 33 54 1 0 0 0 0 34 55 1 0 0 0 0 34 56 1 0 0 0 0 35 57 1 0 0 0 0 35 58 1 0 0 0 0 36 59 1 0 0 0 0 36 60 1 0 0 0 0 36 61 1 0 0 0 0 37 62 1 0 0 0 0 38 63 1 0 0 0 0 38 64 1 0 0 0 0 38 65 1 0 0 0 0 39 66 1 0 0 0 0 39 67 1 0 0 0 0 39 68 1 0 0 0 0 40 69 1 0 0 0 0 40 70 1 0 0 0 0 40 71 1 0 0 0 0 M END > (348915) 348915 $$$$ Wcorina 01220710483D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 36 37 0 0 0 999 V2000 -0.0184 1.5028 0.0103 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5971 -0.6975 -1.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5786 -2.0795 -1.0411 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0396 -2.7689 -0.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6390 -2.0743 1.0224 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6249 -0.6923 1.0265 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7345 1.9962 1.2691 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7540 3.5264 1.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4890 4.0154 2.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9050 3.4327 2.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8231 1.9052 2.4945 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1121 1.4878 1.2793 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3954 2.0244 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0626 -4.5047 -0.0224 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6228 3.3473 0.0045 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3243 1.2518 -0.0134 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0094 3.7779 -0.0064 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5455 1.8639 -0.8728 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0799 -0.1593 -1.8352 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0470 -2.6211 -1.8496 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1218 -2.6119 1.8251 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0928 -0.1500 1.8348 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2074 1.6347 2.1521 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2688 3.9033 1.2862 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2689 3.8890 0.3883 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9526 3.6858 3.4188 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5431 5.1040 2.5176 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4190 3.7427 3.4498 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4538 3.7938 1.6702 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2862 1.5440 3.3716 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8300 1.4876 2.4877 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6106 1.7774 0.4512 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5173 3.3901 0.8767 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5003 3.3997 -0.9031 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0517 4.8670 -0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 14 1 0 0 0 0 1 8 1 0 0 0 0 1 19 1 0 0 0 0 2 3 2 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 20 1 0 0 0 0 4 5 2 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 15 1 0 0 0 0 6 7 2 0 0 0 0 6 22 1 0 0 0 0 7 23 1 0 0 0 0 8 13 1 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 14 16 1 0 0 0 0 14 17 2 0 0 0 0 16 18 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 M END > (465731) 465731 $$$$ Wcorina 01220710483D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 31 33 0 0 0 0 0 0 0 0999 V2000 -0.0161 1.3339 0.0094 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1006 2.0323 0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0331 3.4174 0.0110 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3628 3.8765 0.0272 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3936 5.4041 0.1166 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3320 5.9738 -1.0274 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7278 5.5147 -1.0437 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7586 3.9871 -1.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2388 -0.6935 -0.0135 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2503 -2.0968 -0.0212 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0721 -2.7802 -0.0145 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1457 -2.1042 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1929 -0.7437 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4381 0.0482 -0.0205 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3564 1.4078 -0.0129 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8619 3.5556 -0.8871 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8755 3.4514 0.8901 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4275 5.7487 0.0995 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0814 5.7238 1.0441 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1315 5.7527 -1.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2405 5.9398 -1.9065 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 5.8356 -0.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7926 3.6425 -1.1159 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2837 3.6674 -2.0605 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1883 -2.6320 -0.0327 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0822 -3.8601 -0.0208 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0667 -2.6681 0.0049 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1453 -0.2345 0.0201 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3968 -0.4490 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2569 2.0040 -0.0183 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 15 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 13 14 2 0 0 0 0 13 28 1 0 0 0 0 14 29 1 0 0 0 0 15 16 2 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 M END > www.bindingDB.org > 50014407 > http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50014407 > n/a > CHEBI:121258 > Serotonin 1b (5-HT1b) receptor > Rattus norvegicus > MEEQGIQCAPPPPATSQTGVPLANLSHNCSADDYIYQDSIALPWKVLLVALLALITLATTLSNAFVIATVYRTRKLHTPANYLIASLAVTDLLVSILVMPISTMYTVTGRWTLGQVVCDFWLSSDITCCTASIMHLCVIALDRYWAITDAVDYSAKRTPKRAAIMIVLVWVFSISISLPPFFWRQAKAEEEVLDCFVNTDHVLYTVYSTVGAFYLPTLLLIALYGRIYVEARSRILKQTPNKTGKRLTRAQLITDSPGSTSSVTSINSRVPEVPSESGSPVYVNQVKVRVSDALLEKKKLMAARERKATKTLGIILGAFIVCWLPFFIISLVMPICKDACWFHMAIFDFFNWLGYLNSLINPIIYTMSNEDFKQAFHKLIRFKCTG > n/a > P28564 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50014407&enzyme=Serotonin+1b+%285-HT1b%29+receptor&column=ki&startPg=0&Increment=50&submit=Search > 208 > n/a > n/a > n/a > n/a > 7629808 > n/a > n/a > Serotonin 1b (5-HT1b) receptor > Rattus norvegicus > MEEQGIQCAPPPPATSQTGVPLANLSHNCSADDYIYQDSIALPWKVLLVALLALITLATTLSNAFVIATVYRTRKLHTPANYLIASLAVTDLLVSILVMPISTMYTVTGRWTLGQVVCDFWLSSDITCCTASIMHLCVIALDRYWAITDAVDYSAKRTPKRAAIMIVLVWVFSISISLPPFFWRQAKAEEEVLDCFVNTDHVLYTVYSTVGAFYLPTLLLIALYGRIYVEARSRILKQTPNKTGKRLTRAQLITDSPGSTSSVTSINSRVPEVPSESGSPVYVNQVKVRVSDALLEKKKLMAARERKATKTLGIILGAFIVCWLPFFIISLVMPICKDACWFHMAIFDFFNWLGYLNSLINPIIYTMSNEDFKQAFHKLIRFKCTG > n/a > P28564 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50014407&enzyme=Serotonin+1b+%285-HT1b%29+receptor&column=ki&startPg=0&Increment=50&submit=Search > 310 > n/a > n/a > n/a > n/a > 9513601 > n/a > n/a > Serotonin 1b (5-HT1b) receptor > Rattus norvegicus > MEEQGIQCAPPPPATSQTGVPLANLSHNCSADDYIYQDSIALPWKVLLVALLALITLATTLSNAFVIATVYRTRKLHTPANYLIASLAVTDLLVSILVMPISTMYTVTGRWTLGQVVCDFWLSSDITCCTASIMHLCVIALDRYWAITDAVDYSAKRTPKRAAIMIVLVWVFSISISLPPFFWRQAKAEEEVLDCFVNTDHVLYTVYSTVGAFYLPTLLLIALYGRIYVEARSRILKQTPNKTGKRLTRAQLITDSPGSTSSVTSINSRVPEVPSESGSPVYVNQVKVRVSDALLEKKKLMAARERKATKTLGIILGAFIVCWLPFFIISLVMPICKDACWFHMAIFDFFNWLGYLNSLINPIIYTMSNEDFKQAFHKLIRFKCTG > n/a > P28564 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50014407&enzyme=Serotonin+1b+%285-HT1b%29+receptor&column=ki&startPg=0&Increment=50&submit=Search > 310 > n/a > n/a > n/a > n/a > 10229626 > n/a > n/a > Serotonin 1b (5-HT1b) receptor > Rattus norvegicus > MEEQGIQCAPPPPATSQTGVPLANLSHNCSADDYIYQDSIALPWKVLLVALLALITLATTLSNAFVIATVYRTRKLHTPANYLIASLAVTDLLVSILVMPISTMYTVTGRWTLGQVVCDFWLSSDITCCTASIMHLCVIALDRYWAITDAVDYSAKRTPKRAAIMIVLVWVFSISISLPPFFWRQAKAEEEVLDCFVNTDHVLYTVYSTVGAFYLPTLLLIALYGRIYVEARSRILKQTPNKTGKRLTRAQLITDSPGSTSSVTSINSRVPEVPSESGSPVYVNQVKVRVSDALLEKKKLMAARERKATKTLGIILGAFIVCWLPFFIISLVMPICKDACWFHMAIFDFFNWLGYLNSLINPIIYTMSNEDFKQAFHKLIRFKCTG > n/a > P28564 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50014407&enzyme=Serotonin+1b+%285-HT1b%29+receptor&column=ki&startPg=0&Increment=50&submit=Search > 320 > n/a > n/a > n/a > n/a > 3543362 > n/a > n/a > Serotonin 1b (5-HT1b) receptor > Rattus norvegicus > MEEQGIQCAPPPPATSQTGVPLANLSHNCSADDYIYQDSIALPWKVLLVALLALITLATTLSNAFVIATVYRTRKLHTPANYLIASLAVTDLLVSILVMPISTMYTVTGRWTLGQVVCDFWLSSDITCCTASIMHLCVIALDRYWAITDAVDYSAKRTPKRAAIMIVLVWVFSISISLPPFFWRQAKAEEEVLDCFVNTDHVLYTVYSTVGAFYLPTLLLIALYGRIYVEARSRILKQTPNKTGKRLTRAQLITDSPGSTSSVTSINSRVPEVPSESGSPVYVNQVKVRVSDALLEKKKLMAARERKATKTLGIILGAFIVCWLPFFIISLVMPICKDACWFHMAIFDFFNWLGYLNSLINPIIYTMSNEDFKQAFHKLIRFKCTG > n/a > P28564 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50014407&enzyme=Serotonin+1b+%285-HT1b%29+receptor&column=ki&startPg=0&Increment=50&submit=Search > n/a > 380 > n/a > n/a > n/a > 9357534 > n/a > n/a > Serotonin 1b (5-HT1b) receptor/1d (5-HT1d) receptor/1f (5-HT1f) receptor/Receptor 1A > Rattus norvegicus > MEEQGIQCAPPPPATSQTGVPLANLSHNCSADDYIYQDSIALPWKVLLVALLALITLATTLSNAFVIATVYRTRKLHTPANYLIASLAVTDLLVSILVMPISTMYTVTGRWTLGQVVCDFWLSSDITCCTASIMHLCVIALDRYWAITDAVDYSAKRTPKRAAIMIVLVWVFSISISLPPFFWRQAKAEEEVLDCFVNTDHVLYTVYSTVGAFYLPTLLLIALYGRIYVEARSRILKQTPNKTGKRLTRAQLITDSPGSTSSVTSINSRVPEVPSESGSPVYVNQVKVRVSDALLEKKKLMAARERKATKTLGIILGAFIVCWLPFFIISLVMPICKDACWFHMAIFDFFNWLGYLNSLINPIIYTMSNEDFKQAFHKLIRFKCTG > n/a > P28564 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50014407&enzyme=Serotonin+1b+%285-HT1b%29+receptor%2F1d+%285-HT1d%29+receptor%2F1f+%285-HT1f%29+receptor%2FReceptor+1A&column=ki&startPg=0&Increment=50&submit=Search > 230 > n/a > n/a > n/a > n/a > 3543362 > n/a > n/a > Serotonin 1b (5-HT1b) receptor/1d (5-HT1d) receptor/1f (5-HT1f) receptor/Receptor 1A/Receptor 1E > Rattus norvegicus > MEEQGIQCAPPPPATSQTGVPLANLSHNCSADDYIYQDSIALPWKVLLVALLALITLATTLSNAFVIATVYRTRKLHTPANYLIASLAVTDLLVSILVMPISTMYTVTGRWTLGQVVCDFWLSSDITCCTASIMHLCVIALDRYWAITDAVDYSAKRTPKRAAIMIVLVWVFSISISLPPFFWRQAKAEEEVLDCFVNTDHVLYTVYSTVGAFYLPTLLLIALYGRIYVEARSRILKQTPNKTGKRLTRAQLITDSPGSTSSVTSINSRVPEVPSESGSPVYVNQVKVRVSDALLEKKKLMAARERKATKTLGIILGAFIVCWLPFFIISLVMPICKDACWFHMAIFDFFNWLGYLNSLINPIIYTMSNEDFKQAFHKLIRFKCTG > n/a > P28564 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50014407&enzyme=Serotonin+1b+%285-HT1b%29+receptor%2F1d+%285-HT1d%29+receptor%2F1f+%285-HT1f%29+receptor%2FReceptor+1A%2FReceptor+1E&column=ki&startPg=0&Increment=50&submit=Search > 230 > n/a > n/a > n/a > n/a > 3783595 > n/a > n/a > Serotonin 2b (5-HT2b) receptor/2c (5-HT2c) receptor/Receptor 2A > Rattus norvegicus > MASSYKMSEQSTISEHILQKTCDHLILTDRSGLKAESAAEEMKQTAENQGNTVHWAALLIFAVIIPTIGGNILVILAVSLEKRLQYATNYFLMSLAVADLLVGLFVMPIALLTIMFEATWPLPLALCPAWLFLDVLFSTASIMHLCAISLDRYIAIKKPIQANQCNSRTTAFVKITVVWLISIGIAIPVPIKGIEADVVNAHNITCELTKDRFGSFMLFGSLAAFFAPLTIMIVTYFLTIHALRKKAYLVRNRPPQRLTRWTVSTVLQREDSSFSSPEKMVMLDGSHKDKILPNSTDETLMRRMSSAGKKPAQTISNEQRASKVLGIVFLFFLLMWCPFFITNVTLALCDSCNQTTLKTLLQIFVWVGYVSSGVNPLIYTLFNKTFREAFGRYITCNYQATKSVKVLRKCSSTLYFGNSMVENSKFFTKHGIRNGINPAMYQSPVRLRSSTIQSSSIILLNTFLTENDGDKVEDQVSYI > n/a > P30994 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50014407&enzyme=Serotonin+2b+%285-HT2b%29+receptor%2F2c+%285-HT2c%29+receptor%2FReceptor+2A&column=ki&startPg=0&Increment=50&submit=Search > 17 > n/a > n/a > n/a > n/a > 3543362 > n/a > n/a > Serotonin 2b (5-HT2b) receptor/2c (5-HT2c) receptor/Receptor 2A > Rattus norvegicus > MASSYKMSEQSTISEHILQKTCDHLILTDRSGLKAESAAEEMKQTAENQGNTVHWAALLIFAVIIPTIGGNILVILAVSLEKRLQYATNYFLMSLAVADLLVGLFVMPIALLTIMFEATWPLPLALCPAWLFLDVLFSTASIMHLCAISLDRYIAIKKPIQANQCNSRTTAFVKITVVWLISIGIAIPVPIKGIEADVVNAHNITCELTKDRFGSFMLFGSLAAFFAPLTIMIVTYFLTIHALRKKAYLVRNRPPQRLTRWTVSTVLQREDSSFSSPEKMVMLDGSHKDKILPNSTDETLMRRMSSAGKKPAQTISNEQRASKVLGIVFLFFLLMWCPFFITNVTLALCDSCNQTTLKTLLQIFVWVGYVSSGVNPLIYTLFNKTFREAFGRYITCNYQATKSVKVLRKCSSTLYFGNSMVENSKFFTKHGIRNGINPAMYQSPVRLRSSTIQSSSIILLNTFLTENDGDKVEDQVSYI > n/a > P30994 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50014407&enzyme=Serotonin+2b+%285-HT2b%29+receptor%2F2c+%285-HT2c%29+receptor%2FReceptor+2A&column=ki&startPg=0&Increment=50&submit=Search > 230 > n/a > n/a > n/a > n/a > 3783595 > n/a > n/a > Serotonin 2b (5-HT2b) receptor/2c (5-HT2c) receptor/Receptor 2A > Rattus norvegicus > MASSYKMSEQSTISEHILQKTCDHLILTDRSGLKAESAAEEMKQTAENQGNTVHWAALLIFAVIIPTIGGNILVILAVSLEKRLQYATNYFLMSLAVADLLVGLFVMPIALLTIMFEATWPLPLALCPAWLFLDVLFSTASIMHLCAISLDRYIAIKKPIQANQCNSRTTAFVKITVVWLISIGIAIPVPIKGIEADVVNAHNITCELTKDRFGSFMLFGSLAAFFAPLTIMIVTYFLTIHALRKKAYLVRNRPPQRLTRWTVSTVLQREDSSFSSPEKMVMLDGSHKDKILPNSTDETLMRRMSSAGKKPAQTISNEQRASKVLGIVFLFFLLMWCPFFITNVTLALCDSCNQTTLKTLLQIFVWVGYVSSGVNPLIYTLFNKTFREAFGRYITCNYQATKSVKVLRKCSSTLYFGNSMVENSKFFTKHGIRNGINPAMYQSPVRLRSSTIQSSSIILLNTFLTENDGDKVEDQVSYI > n/a > P30994 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50014407&enzyme=Serotonin+2b+%285-HT2b%29+receptor%2F2c+%285-HT2c%29+receptor%2FReceptor+2A&column=ki&startPg=0&Increment=50&submit=Search > 230 > n/a > n/a > n/a > n/a > 3543362 > n/a > n/a > Serotonin 2b (5-HT2b) receptor/2c (5-HT2c) receptor/Receptor 2A > Rattus norvegicus > MASSYKMSEQSTISEHILQKTCDHLILTDRSGLKAESAAEEMKQTAENQGNTVHWAALLIFAVIIPTIGGNILVILAVSLEKRLQYATNYFLMSLAVADLLVGLFVMPIALLTIMFEATWPLPLALCPAWLFLDVLFSTASIMHLCAISLDRYIAIKKPIQANQCNSRTTAFVKITVVWLISIGIAIPVPIKGIEADVVNAHNITCELTKDRFGSFMLFGSLAAFFAPLTIMIVTYFLTIHALRKKAYLVRNRPPQRLTRWTVSTVLQREDSSFSSPEKMVMLDGSHKDKILPNSTDETLMRRMSSAGKKPAQTISNEQRASKVLGIVFLFFLLMWCPFFITNVTLALCDSCNQTTLKTLLQIFVWVGYVSSGVNPLIYTLFNKTFREAFGRYITCNYQATKSVKVLRKCSSTLYFGNSMVENSKFFTKHGIRNGINPAMYQSPVRLRSSTIQSSSIILLNTFLTENDGDKVEDQVSYI > n/a > P30994 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50014407&enzyme=Serotonin+2b+%285-HT2b%29+receptor%2F2c+%285-HT2c%29+receptor%2FReceptor+2A&column=ki&startPg=0&Increment=50&submit=Search > 645 > n/a > n/a > n/a > n/a > 3543362 > n/a > n/a > Serotonin 2c (5-HT2c) receptor > Rattus norvegicus > MVNLGNAVRSLLMHLIGLLVWQFDISISPVAAIVTDTFNSSDGGRLFQFPDGVQNWPALSIVVIIIMTIGGNILVIMAVSMEKKLHNATNYFLMSLAIADMLVGLLVMPLSLLAILYDYVWPLPRYLCPVWISLDVLFSTASIMHLCAISLDRYVAIRNPIEHSRFNSRTKAIMKIAIVWAISIGVSVPIPVIGLRDESKVFVNNTTCVLNDPNFVLIGSFVAFFIPLTIMVITYFLTIYVLRRQTLMLLRGHTEEELANMSLNFLNCCCKKNGGEEENAPNPNPDQKPRRKKKEKRPRGTMQAINNEKKASKVLGIVFFVFLIMWCPFFITNILSVLCGKACNQKLMEKLLNVFVWIGYVCSGINPLVYTLFNKIYRRAFSKYLRCDYKPDKKPPVRQIPRVAATALSGRELNVNIYRHTNERVARKANDPEPGIEMQVENLELPVNPSNVVSERISSV > n/a > P08909 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50014407&enzyme=Serotonin+2c+%285-HT2c%29+receptor&column=ki&startPg=0&Increment=50&submit=Search > 190 > n/a > n/a > n/a > n/a > 9513601 > n/a > n/a > Serotonin 2c (5-HT2c) receptor > Rattus norvegicus > MVNLGNAVRSLLMHLIGLLVWQFDISISPVAAIVTDTFNSSDGGRLFQFPDGVQNWPALSIVVIIIMTIGGNILVIMAVSMEKKLHNATNYFLMSLAIADMLVGLLVMPLSLLAILYDYVWPLPRYLCPVWISLDVLFSTASIMHLCAISLDRYVAIRNPIEHSRFNSRTKAIMKIAIVWAISIGVSVPIPVIGLRDESKVFVNNTTCVLNDPNFVLIGSFVAFFIPLTIMVITYFLTIYVLRRQTLMLLRGHTEEELANMSLNFLNCCCKKNGGEEENAPNPNPDQKPRRKKKEKRPRGTMQAINNEKKASKVLGIVFFVFLIMWCPFFITNILSVLCGKACNQKLMEKLLNVFVWIGYVCSGINPLVYTLFNKIYRRAFSKYLRCDYKPDKKPPVRQIPRVAATALSGRELNVNIYRHTNERVARKANDPEPGIEMQVENLELPVNPSNVVSERISSV > n/a > P08909 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50014407&enzyme=Serotonin+2c+%285-HT2c%29+receptor&column=ki&startPg=0&Increment=50&submit=Search > 190 > n/a > n/a > n/a > n/a > 10229626 > n/a > n/a > Serotonin 2c (5-HT2c) receptor > Rattus norvegicus > MVNLGNAVRSLLMHLIGLLVWQFDISISPVAAIVTDTFNSSDGGRLFQFPDGVQNWPALSIVVIIIMTIGGNILVIMAVSMEKKLHNATNYFLMSLAIADMLVGLLVMPLSLLAILYDYVWPLPRYLCPVWISLDVLFSTASIMHLCAISLDRYVAIRNPIEHSRFNSRTKAIMKIAIVWAISIGVSVPIPVIGLRDESKVFVNNTTCVLNDPNFVLIGSFVAFFIPLTIMVITYFLTIYVLRRQTLMLLRGHTEEELANMSLNFLNCCCKKNGGEEENAPNPNPDQKPRRKKKEKRPRGTMQAINNEKKASKVLGIVFFVFLIMWCPFFITNILSVLCGKACNQKLMEKLLNVFVWIGYVCSGINPLVYTLFNKIYRRAFSKYLRCDYKPDKKPPVRQIPRVAATALSGRELNVNIYRHTNERVARKANDPEPGIEMQVENLELPVNPSNVVSERISSV > n/a > P08909 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50014407&enzyme=Serotonin+2c+%285-HT2c%29+receptor&column=ki&startPg=0&Increment=50&submit=Search > n/a > 470 > n/a > n/a > n/a > 9357534 > n/a > n/a > Serotonin 3a (5-HT3a) receptor > Homo sapiens > MLLWVQQALLALLLPTLLAQGEARRSRNTTRPALLRLSDYLLTNYRKGVRPVRDWRKPTTVSIDVIVYAILNVDEKNQVLTTYIWYRQYWTDEFLQWNPEDFDNITKLSIPTDSIWVPDILINEFVDVGKSPNIPYVYIRHQGEVQNYKPLQVVTACSLDIYNFPFDVQNCSLTFTSWLHTIQDINISLWRLPEKVKSDRSVFMNQGEWELLGVLPYFREFSMESSNYYAEMKFYVVIRRRPLFYVVSLLLPSIFLMVMDIVGFYLPPNSGERVSFKITLLLGYSVFLIIVSDTLPATAIGTPLIGVYFVVCMALLVISLAETIFIVRLVHKQDLQQPVPAWLRHLVLERIAWLLCLREQSTSQRPPATSQATKTDDCSAMGNHCSHMGGPQDFEKSPRDRCSPPPPPREASLAVCGLLQELSSIRQFLEKRDEIREVARDWLRVGSVLDKLLFHIYLLAVLAYSITLVMLWSIWQYA > n/a > P46098 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50014407&enzyme=Serotonin+3a+%285-HT3a%29+receptor&column=ki&startPg=0&Increment=50&submit=Search > 3.7 > n/a > n/a > n/a > n/a > 17722904 > n/a > n/a > Serotonin 3a (5-HT3a) receptor > Rattus norvegicus > MPLCIPQVLLALFLSVLIAQGEGSRRRATQAHSTTQPALLRLSDHLLANYKKGVRPVRDWRKPTLVSIDVIMYAILNVDEKNQVLTTYIWYRQFWTDEFLQWTPEDFDNVTKLSIPTDSIWVPDILINEFVDVGKSPSIPYVYVHHQGEVQNYKPLQLVTACSLDIYNFPFDVQNCSLTFTSWLHTIQDINISLWRTPEEVRSDKSIFINQGEWELLGVFTKFQEFSIETSNSYAEMKFYVVIRRRPLFYAVSLLLPSIFLMVVDIVGFCLPPDSGERVSFKITLLLGYSVFLIIVSDTLPATAIGTPLIGVYFVVCMALLVISLAETIFIVQLVHKQDLQRPVPDWLRHLVLDRIAWLLCLGEQPMAHRPPATFQANKTDDCSAMGNHCSHVGSPQDLEKTSRSRDSPLPPPREASLAVRGLLQELSSIRHSLEKRDEMREVARDWLRVGYVLDRLLFRIYLLAVLAYSITLVTLWSIWHYS > n/a > P35563 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50014407&enzyme=Serotonin+3a+%285-HT3a%29+receptor&column=ki&startPg=0&Increment=50&submit=Search > 0.96 > n/a > n/a > n/a > n/a > 19425598 > n/a > n/a > Serotonin 4 (5-HT4) receptor > Cavia porcellus > MDKLDANVSSKEGFGSVEKVVLLTFLSAVILMAILGNLLVMVAVCRDRQLRKIKTNYFIVSLAFADLLVSVLVMPFGAIELVQDIWVYGEMFCLVRTSLDVLLTTASIFHLCCISLDRYYAICCQPLVYRNKMTPLRIALMLGGCWVIPMFISFLPIMQGWNNIGIVDLIEKRKFNQNSNSTYCVFMVNKPYAITCSVVAFYIPFLLMVLAYYRIYVTAKEHARQIQVLQRAGAPAEGRPQPADQHSTHRMRTETKAAKTLCIIMGCFCLCWAPFFVTNIVDPFIDYTVPGQLWTAFLWLGYINSGLNPFLYAFLNKSFRRAFLIILCCDDERYRRPSILGQTVPCSTTTINGSTHVLRDTVECGGQWESQCHPAASSPLVAAQPIDT > n/a > O70528 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50014407&enzyme=Serotonin+4+%285-HT4%29+receptor&column=ki&startPg=0&Increment=50&submit=Search > >10000 > n/a > n/a > n/a > n/a > 19425598 > n/a > n/a > Serotonin 4 (5-HT4) receptor > Rattus norvegicus > MDRLDANVSSNEGFGSVEKVVLLTFFAMVILMAILGNLLVMVAVCRDRQLRKIKTNYFIVSLAFADLLVSVLVNAFGAIELVQDIWFYGEMFCLVRTSLDVLLTTASIFHLCCISLDRYYAICCQPLVYRNKMTPLRIALMLGGCWVIPMFISFLPIMQGWNNIGIVDVIEKRKFNHNSNSTFCVFMVNKPYAITCSVVAFYIPFLLMVLAYYRIYVTAKEHAQQIQMLQRAGATSESRPQTADQHSTHRMRTETKAAKTLCVIMGCFCFCWAPFFVTNIVDPFIDYTVPEKVWTAFLWLGYINSGLNPFLYAFLNKSFRRAFLIILCCDDERYKRPPILGQTVPCSTTTINGSTHVLRDTVECGGQWESRCHLTATSPLVAAQPVIRRPQDNDLEDSCSLKRSQS > n/a > Q62758 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50014407&enzyme=Serotonin+4+%285-HT4%29+receptor&column=ki&startPg=0&Increment=50&submit=Search > n/a > >10000 > n/a > n/a > n/a > 9357534 > n/a > n/a > Serotonin 5a (5-HT5a) receptor > Mus musculus > MDLPVNLTSFSLSTPSSLEPNRSLDTEVLRPSRPFLSAFRVLVLTLLGFLAAATFTWNLLVLATILKVRTFHRVPHNLVASMAISDVLVAVLVMPLSLVHELSGRRWQLGRRLCQLWIACDVLCCTASIWNVTAIALDRYWSITRHLEYTLRTRKRVSNVMILLTWALSTVISLAPLLFGWGETYSEPSEECQVSREPSYTVFSTVGAFYLPLWLVLFVYWKIYRAAKFRMGSRKTNSVSPVPEAVEVKNATQHPQMVFTARHATVTFQTEGDTWREQKEQRAALMVGILIGVFVLCWFPFFVTELISPLCSWDVPAIWKSIFLWLGYSNSFFNPLIYTAFNRSYSSAFKVFFSKQQ > n/a > P30966 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50014407&enzyme=Serotonin+5a+%285-HT5a%29+receptor&column=ki&startPg=0&Increment=50&submit=Search > >10000 > n/a > n/a > n/a > n/a > 12825922 > n/a > n/a > Serotonin 5a (5-HT5a) receptor > Mus musculus > MDLPVNLTSFSLSTPSSLEPNRSLDTEVLRPSRPFLSAFRVLVLTLLGFLAAATFTWNLLVLATILKVRTFHRVPHNLVASMAISDVLVAVLVMPLSLVHELSGRRWQLGRRLCQLWIACDVLCCTASIWNVTAIALDRYWSITRHLEYTLRTRKRVSNVMILLTWALSTVISLAPLLFGWGETYSEPSEECQVSREPSYTVFSTVGAFYLPLWLVLFVYWKIYRAAKFRMGSRKTNSVSPVPEAVEVKNATQHPQMVFTARHATVTFQTEGDTWREQKEQRAALMVGILIGVFVLCWFPFFVTELISPLCSWDVPAIWKSIFLWLGYSNSFFNPLIYTAFNRSYSSAFKVFFSKQQ > n/a > P30966 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50014407&enzyme=Serotonin+5a+%285-HT5a%29+receptor&column=ki&startPg=0&Increment=50&submit=Search > >10000 > n/a > n/a > n/a > n/a > 12825922 > n/a > n/a > Serotonin Receptor 1A > Rattus norvegicus > MDVFSFGQGNNTTASQEPFGTGGNVTSISDVTFSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSDPDACTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVRKVEKKGAGTSLGTSSAPPPKKSLNGQPGSGDWRRCAENRAVGTPCTNGAVRQGDDEATLEVIEVHRVGNSKEHLPLPSESGSNSYAPACLERKNERNAEAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPFCESSCHMPALLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFCRR > n/a > P19327 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50014407&enzyme=Serotonin+Receptor+1A&column=ki&startPg=0&Increment=50&submit=Search > 1500 > n/a > n/a > n/a > n/a > 7629808 > n/a > n/a > Serotonin Receptor 1A > Rattus norvegicus > MDVFSFGQGNNTTASQEPFGTGGNVTSISDVTFSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSDPDACTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVRKVEKKGAGTSLGTSSAPPPKKSLNGQPGSGDWRRCAENRAVGTPCTNGAVRQGDDEATLEVIEVHRVGNSKEHLPLPSESGSNSYAPACLERKNERNAEAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPFCESSCHMPALLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFCRR > n/a > P19327 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50014407&enzyme=Serotonin+Receptor+1A&column=ki&startPg=0&Increment=50&submit=Search > 1584 > n/a > n/a > n/a > n/a > 19425598 > n/a > n/a > Serotonin Receptor 1A > Rattus norvegicus > MDVFSFGQGNNTTASQEPFGTGGNVTSISDVTFSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSDPDACTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVRKVEKKGAGTSLGTSSAPPPKKSLNGQPGSGDWRRCAENRAVGTPCTNGAVRQGDDEATLEVIEVHRVGNSKEHLPLPSESGSNSYAPACLERKNERNAEAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPFCESSCHMPALLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFCRR > n/a > P19327 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50014407&enzyme=Serotonin+Receptor+1A&column=ki&startPg=0&Increment=50&submit=Search > 3300 > n/a > n/a > n/a > n/a > 3543362 > n/a > n/a > Serotonin Receptor 1A > Rattus norvegicus > MDVFSFGQGNNTTASQEPFGTGGNVTSISDVTFSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSDPDACTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVRKVEKKGAGTSLGTSSAPPPKKSLNGQPGSGDWRRCAENRAVGTPCTNGAVRQGDDEATLEVIEVHRVGNSKEHLPLPSESGSNSYAPACLERKNERNAEAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPFCESSCHMPALLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFCRR > n/a > P19327 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50014407&enzyme=Serotonin+Receptor+1A&column=ki&startPg=0&Increment=50&submit=Search > 3600 > n/a > n/a > n/a > n/a > 9513601 > n/a > n/a > Serotonin Receptor 1A > Rattus norvegicus > MDVFSFGQGNNTTASQEPFGTGGNVTSISDVTFSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSDPDACTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVRKVEKKGAGTSLGTSSAPPPKKSLNGQPGSGDWRRCAENRAVGTPCTNGAVRQGDDEATLEVIEVHRVGNSKEHLPLPSESGSNSYAPACLERKNERNAEAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPFCESSCHMPALLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFCRR > n/a > P19327 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50014407&enzyme=Serotonin+Receptor+1A&column=ki&startPg=0&Increment=50&submit=Search > 3600 > n/a > n/a > n/a > n/a > 10229626 > n/a > n/a > Serotonin Receptor 1A > Rattus norvegicus > MDVFSFGQGNNTTASQEPFGTGGNVTSISDVTFSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSDPDACTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVRKVEKKGAGTSLGTSSAPPPKKSLNGQPGSGDWRRCAENRAVGTPCTNGAVRQGDDEATLEVIEVHRVGNSKEHLPLPSESGSNSYAPACLERKNERNAEAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPFCESSCHMPALLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFCRR > n/a > P19327 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50014407&enzyme=Serotonin+Receptor+1A&column=ki&startPg=0&Increment=50&submit=Search > n/a > 2700 > n/a > n/a > n/a > 9357534 > n/a > n/a > Serotonin Receptor 2A > Rattus norvegicus > MEILCEDNISLSSIPNSLMQLGDGPRLYHNDFNSRDANTSEASNWTIDAENRTNLSCEGYLPPTCLSILHLQEKNWSALLTTVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAIWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHSRFNSRTKAFLKIIAVWTISVGISMPIPVFGLQDDSKVFKEGSCLLADDNFVLIGSFVAFFIPLTIMVITYFLTIKSLQKEATLCVSDLSTRAKLASFSFLPQSSLSSEKLFQRSIHREPGSYAGRRTMQSISNEQKACKVLGIVFFLFVVMWCPFFITNIMAVICKESCNENVIGALLNVFVWIGYLSSAVNPLVYTLFNKTYRSAFSRYIQCQYKENRKPLQLILVNTIPALAYKSSQLQVGQKKNSQEDAEQTVDDCSMVTLGKQQSEENCTDNIETVNEKVSCV > n/a > P14842 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50014407&enzyme=Serotonin+Receptor+2A&column=ki&startPg=0&Increment=50&submit=Search > 130 > n/a > n/a > n/a > n/a > 7629808 > n/a > n/a > Serotonin Receptor 2A > Rattus norvegicus > MEILCEDNISLSSIPNSLMQLGDGPRLYHNDFNSRDANTSEASNWTIDAENRTNLSCEGYLPPTCLSILHLQEKNWSALLTTVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAIWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHSRFNSRTKAFLKIIAVWTISVGISMPIPVFGLQDDSKVFKEGSCLLADDNFVLIGSFVAFFIPLTIMVITYFLTIKSLQKEATLCVSDLSTRAKLASFSFLPQSSLSSEKLFQRSIHREPGSYAGRRTMQSISNEQKACKVLGIVFFLFVVMWCPFFITNIMAVICKESCNENVIGALLNVFVWIGYLSSAVNPLVYTLFNKTYRSAFSRYIQCQYKENRKPLQLILVNTIPALAYKSSQLQVGQKKNSQEDAEQTVDDCSMVTLGKQQSEENCTDNIETVNEKVSCV > n/a > P14842 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50014407&enzyme=Serotonin+Receptor+2A&column=ki&startPg=0&Increment=50&submit=Search > 1800 > n/a > n/a > n/a > n/a > 9513601 > n/a > n/a > Serotonin Receptor 2A > Rattus norvegicus > MEILCEDNISLSSIPNSLMQLGDGPRLYHNDFNSRDANTSEASNWTIDAENRTNLSCEGYLPPTCLSILHLQEKNWSALLTTVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAIWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHSRFNSRTKAFLKIIAVWTISVGISMPIPVFGLQDDSKVFKEGSCLLADDNFVLIGSFVAFFIPLTIMVITYFLTIKSLQKEATLCVSDLSTRAKLASFSFLPQSSLSSEKLFQRSIHREPGSYAGRRTMQSISNEQKACKVLGIVFFLFVVMWCPFFITNIMAVICKESCNENVIGALLNVFVWIGYLSSAVNPLVYTLFNKTYRSAFSRYIQCQYKENRKPLQLILVNTIPALAYKSSQLQVGQKKNSQEDAEQTVDDCSMVTLGKQQSEENCTDNIETVNEKVSCV > n/a > P14842 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50014407&enzyme=Serotonin+Receptor+2A&column=ki&startPg=0&Increment=50&submit=Search > 1800 > n/a > n/a > n/a > n/a > 10229626 > n/a > n/a > Serotonin Receptor 2A > Rattus norvegicus > MEILCEDNISLSSIPNSLMQLGDGPRLYHNDFNSRDANTSEASNWTIDAENRTNLSCEGYLPPTCLSILHLQEKNWSALLTTVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAIWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHSRFNSRTKAFLKIIAVWTISVGISMPIPVFGLQDDSKVFKEGSCLLADDNFVLIGSFVAFFIPLTIMVITYFLTIKSLQKEATLCVSDLSTRAKLASFSFLPQSSLSSEKLFQRSIHREPGSYAGRRTMQSISNEQKACKVLGIVFFLFVVMWCPFFITNIMAVICKESCNENVIGALLNVFVWIGYLSSAVNPLVYTLFNKTYRSAFSRYIQCQYKENRKPLQLILVNTIPALAYKSSQLQVGQKKNSQEDAEQTVDDCSMVTLGKQQSEENCTDNIETVNEKVSCV > n/a > P14842 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50014407&enzyme=Serotonin+Receptor+2A&column=ki&startPg=0&Increment=50&submit=Search > 794 > n/a > n/a > n/a > n/a > 19425598 > n/a > n/a > Serotonin Receptor 2A > Rattus norvegicus > MEILCEDNISLSSIPNSLMQLGDGPRLYHNDFNSRDANTSEASNWTIDAENRTNLSCEGYLPPTCLSILHLQEKNWSALLTTVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAIWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHSRFNSRTKAFLKIIAVWTISVGISMPIPVFGLQDDSKVFKEGSCLLADDNFVLIGSFVAFFIPLTIMVITYFLTIKSLQKEATLCVSDLSTRAKLASFSFLPQSSLSSEKLFQRSIHREPGSYAGRRTMQSISNEQKACKVLGIVFFLFVVMWCPFFITNIMAVICKESCNENVIGALLNVFVWIGYLSSAVNPLVYTLFNKTYRSAFSRYIQCQYKENRKPLQLILVNTIPALAYKSSQLQVGQKKNSQEDAEQTVDDCSMVTLGKQQSEENCTDNIETVNEKVSCV > n/a > P14842 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50014407&enzyme=Serotonin+Receptor+2A&column=ki&startPg=0&Increment=50&submit=Search > n/a > 1400 > n/a > n/a > n/a > 9357534 > n/a > n/a > Serotonin Receptor 2C > Homo sapiens > MVNLRNAVHSFLVHLIGLLVWQCDISVSPVAAIVTDIFNTSDGGRFKFPDGVQNWPALSIVIIIIMTIGGNILVIMAVSMEKKLHNATNYFLMSLAIADMLVGLLVMPLSLLAILYDYVWPLPRYLCPVWISLDVLFSTASIMHLCAISLDRYVAIRNPIEHSRFNSRTKAIMKIAIVWAISIGVSVPIPVIGLRDEEKVFVNNTTCVLNDPNFVLIGSFVAFFIPLTIMVITYCLTIYVLRRQALMLLHGHTEEPPGLSLDFLKCCKRNTAEEENSANPNQDQNARRRKKKERRPRGTMQAINNERKASKVLGIVFFVFLIMWCPFFITNILSVLCEKSCNQKLMEKLLNVFVWIGYVCSGINPLVYTLFNKIYRRAFSNYLRCNYKVEKKPPVRQIPRVAATALSGRELNVNIYRHTNEPVIEKASDNEPGIEMQVENLELPVNPSSVVSERISSV > n/a > P28335 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50014407&enzyme=Serotonin+Receptor+2C&column=ki&startPg=0&Increment=50&submit=Search > 200 > n/a > n/a > n/a > n/a > 3543362 > n/a > n/a > Serotonin Receptor 6 > Homo sapiens > MVPEPGPTANSTPAWGAGPPSAPGGSGWVAAALCVVIALTAAANSLLIALICTQPALRNTSNFFLVSLFTSDLMVGLVVMPPAMLNALYGRWVLARGLCLLWTAFDVMCCSASILNLCLISLDRYLLILSPLRYKLRMTPLRALALVLGAWSLAALASFLPLLLGWHELGHARPPVPGQCRLLASLPFVLVASGLTFFLPSGAICFTYCRILLAARKQAVQVASLTTGMASQASETLQVPRTPRPGVESADSRRLATKHSRKALKASLTLGILLGMFFVTWLPFFVANIVQAVCDCISPGLFDVLTWLGYCNSTMNPIIYPLFMRDFKRALGRFLPCPRCPRERQASLASPSLRTSHSGPRPGLSLQQVLPLPLPPDSDSDSDAGSGGSSGLRLTAQLLLPGEATQDPPLPTRAAAAVNFFNIDPAEPELRPHPLGIPTN > n/a > n/a > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50014407&enzyme=Serotonin+Receptor+6&column=ki&startPg=0&Increment=50&submit=Search > 3600 > n/a > n/a > n/a > n/a > 12825922 > n/a > n/a > Serotonin Receptor 7 > Homo sapiens > MMDVNSSGRPDLYGHLRSFLLPEVGRGLPDLSPDGGADPVAGSWAPHLLSEVTASPAPTWDAPPDNASGCGEQINYGRVEKVVIGSILTLITLLTIAGNCLVVISVCFVKKLRQPSNYLIVSLALADLSVAVAVMPFVSVTDLIGGKWIFGHFFCNVFIAMDVMCCTASIMTLCVISIDRYLGITRPLTYPVRQNGKCMAKMILSVWLLSASITLPPLFGWAQNVNDDKVCLISQDFGYTIYSTAVAFYIPMSVMLFMYYQIYKAARKSAAKHKFPGFPRVEPDSVIALNGIVKLQKEVEECANLSRLLKHERKNISIFKREQKAATTLGIIVGAFTVCWLPFFLLSTARPFICGTSCSCIPLWVERTFLWLGYANSLINPFIYAFFNRDLRTTYRSLLQCQYRNINRKLSAAGMHEALKLAERPERPEFVLRACTRRVLLRPEKRPPVSVWVLQSPDHHNWLADKMLTTVEKKVMIHD > n/a > n/a > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50014407&enzyme=Serotonin+Receptor+7&column=ki&startPg=0&Increment=50&submit=Search > 3033 > n/a > n/a > n/a > n/a > 12825922 > n/a > n/a > Serotonin Transporter (SERT) > Rattus norvegicus > METTPLNSQKVLSECKDREDCQENGVLQKGVPTTADRAEPSQISNGYSAVPSTSAGDEASHSIPAATTTLVAEIRQGERETWGKKMDFLLSVIGYAVDLGNIWRFPYICYQNGGGAFLLPYTIMAIFGGIPLFYMELALGQYHRNGCISIWRKICPIFKGIGYAICIIAFYIASYYNTIIAWALYYLISSLTDRLPWTSCTNSWNTGNCTNYFAQDNITWTLHSTSPAEEFYLRHVLQIHQSKGLQDLGTISWQLTLCIVLIFTVIYFSIWKGVKTSGKVVWVTATFPYIVLSVLLVRGATLPGAWRGVVFYLKPNWQKLLETGVWVDAAAQIFFSLGPGFGVLLAFASYNKFNNNCYQDALVTSVVNCMTSFVSGFVIFTVLGYMAEMRNEDVSEVAKDAGPSLLFITYAEAIANMPASTFFAIIFFLMLITLGLDSTFAGLEGVITAVLDEFPHIWAKRREWFVLIVVITCVLGSLLTLTSGGAYVVTLLEEYATGPAVLTVALIEAVAVSWFYGITQFCSDVKEMLGFSPGWFWRICWVAISPLFLLFIICSFLMSPPQLRLFQYNYPHWSIVLGYCIGMSSVICIPTYIIYRLISTPGTLKERIIKSITPETPTEIPCGDIRMNAV > n/a > n/a > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50014407&enzyme=Serotonin+Transporter+%28SERT%29&column=ki&startPg=0&Increment=50&submit=Search > 31 > n/a > n/a > n/a > n/a > 9513601 > n/a > n/a > Serotonin Transporter (SERT) > Rattus norvegicus > METTPLNSQKVLSECKDREDCQENGVLQKGVPTTADRAEPSQISNGYSAVPSTSAGDEASHSIPAATTTLVAEIRQGERETWGKKMDFLLSVIGYAVDLGNIWRFPYICYQNGGGAFLLPYTIMAIFGGIPLFYMELALGQYHRNGCISIWRKICPIFKGIGYAICIIAFYIASYYNTIIAWALYYLISSLTDRLPWTSCTNSWNTGNCTNYFAQDNITWTLHSTSPAEEFYLRHVLQIHQSKGLQDLGTISWQLTLCIVLIFTVIYFSIWKGVKTSGKVVWVTATFPYIVLSVLLVRGATLPGAWRGVVFYLKPNWQKLLETGVWVDAAAQIFFSLGPGFGVLLAFASYNKFNNNCYQDALVTSVVNCMTSFVSGFVIFTVLGYMAEMRNEDVSEVAKDAGPSLLFITYAEAIANMPASTFFAIIFFLMLITLGLDSTFAGLEGVITAVLDEFPHIWAKRREWFVLIVVITCVLGSLLTLTSGGAYVVTLLEEYATGPAVLTVALIEAVAVSWFYGITQFCSDVKEMLGFSPGWFWRICWVAISPLFLLFIICSFLMSPPQLRLFQYNYPHWSIVLGYCIGMSSVICIPTYIIYRLISTPGTLKERIIKSITPETPTEIPCGDIRMNAV > n/a > n/a > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50014407&enzyme=Serotonin+Transporter+%28SERT%29&column=ki&startPg=0&Increment=50&submit=Search > 31 > n/a > n/a > n/a > n/a > 10229626 > n/a > n/a > Serotonin Transporter (SERT) > Rattus norvegicus > METTPLNSQKVLSECKDREDCQENGVLQKGVPTTADRAEPSQISNGYSAVPSTSAGDEASHSIPAATTTLVAEIRQGERETWGKKMDFLLSVIGYAVDLGNIWRFPYICYQNGGGAFLLPYTIMAIFGGIPLFYMELALGQYHRNGCISIWRKICPIFKGIGYAICIIAFYIASYYNTIIAWALYYLISSLTDRLPWTSCTNSWNTGNCTNYFAQDNITWTLHSTSPAEEFYLRHVLQIHQSKGLQDLGTISWQLTLCIVLIFTVIYFSIWKGVKTSGKVVWVTATFPYIVLSVLLVRGATLPGAWRGVVFYLKPNWQKLLETGVWVDAAAQIFFSLGPGFGVLLAFASYNKFNNNCYQDALVTSVVNCMTSFVSGFVIFTVLGYMAEMRNEDVSEVAKDAGPSLLFITYAEAIANMPASTFFAIIFFLMLITLGLDSTFAGLEGVITAVLDEFPHIWAKRREWFVLIVVITCVLGSLLTLTSGGAYVVTLLEEYATGPAVLTVALIEAVAVSWFYGITQFCSDVKEMLGFSPGWFWRICWVAISPLFLLFIICSFLMSPPQLRLFQYNYPHWSIVLGYCIGMSSVICIPTYIIYRLISTPGTLKERIIKSITPETPTEIPCGDIRMNAV > n/a > n/a > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50014407&enzyme=Serotonin+Transporter+%28SERT%29&column=ki&startPg=0&Increment=50&submit=Search > 43 > n/a > n/a > n/a > n/a > 7629808 > n/a > n/a > Serotonin Transporter (SERT) > Rattus norvegicus > METTPLNSQKVLSECKDREDCQENGVLQKGVPTTADRAEPSQISNGYSAVPSTSAGDEASHSIPAATTTLVAEIRQGERETWGKKMDFLLSVIGYAVDLGNIWRFPYICYQNGGGAFLLPYTIMAIFGGIPLFYMELALGQYHRNGCISIWRKICPIFKGIGYAICIIAFYIASYYNTIIAWALYYLISSLTDRLPWTSCTNSWNTGNCTNYFAQDNITWTLHSTSPAEEFYLRHVLQIHQSKGLQDLGTISWQLTLCIVLIFTVIYFSIWKGVKTSGKVVWVTATFPYIVLSVLLVRGATLPGAWRGVVFYLKPNWQKLLETGVWVDAAAQIFFSLGPGFGVLLAFASYNKFNNNCYQDALVTSVVNCMTSFVSGFVIFTVLGYMAEMRNEDVSEVAKDAGPSLLFITYAEAIANMPASTFFAIIFFLMLITLGLDSTFAGLEGVITAVLDEFPHIWAKRREWFVLIVVITCVLGSLLTLTSGGAYVVTLLEEYATGPAVLTVALIEAVAVSWFYGITQFCSDVKEMLGFSPGWFWRICWVAISPLFLLFIICSFLMSPPQLRLFQYNYPHWSIVLGYCIGMSSVICIPTYIIYRLISTPGTLKERIIKSITPETPTEIPCGDIRMNAV > n/a > n/a > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50014407&enzyme=Serotonin+Transporter+%28SERT%29&column=ki&startPg=0&Increment=50&submit=Search > 63 > n/a > n/a > n/a > n/a > 10915050 > n/a > n/a $$$$ Wcorina 01220710483D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 44 47 0 1 0 999 V2000 -0.0178 1.4598 0.0101 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1536 2.2243 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0628 2.1029 1.0434 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6338 -0.8163 1.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4212 -0.2784 2.0889 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8396 2.0421 -1.0656 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7151 1.1949 2.1927 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1044 -0.0072 -1.2974 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4008 -0.6072 -0.1579 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4195 3.1028 -1.0449 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2437 1.4372 -1.0654 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2435 2.8154 1.0267 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5243 3.2481 -2.0584 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3905 -2.1871 1.0908 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4163 -0.6373 -1.4971 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9761 -1.1064 3.0589 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5119 3.6793 -0.0203 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5998 3.8279 -1.0495 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8652 4.1671 -3.0983 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9366 -3.0065 2.0552 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7360 -2.4640 3.0443 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5281 -0.2885 -0.9093 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9133 3.1194 -0.9172 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3644 1.8450 -2.0265 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5291 1.2911 2.9112 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8492 1.6425 2.6805 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3124 -1.6819 -0.3172 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9738 -0.4271 0.7517 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7219 1.6127 -0.1018 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8390 1.8840 -1.8617 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9568 2.6997 1.8293 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2330 -2.6128 0.3185 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8761 -0.2402 -2.4021 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2902 -1.7154 -1.5967 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0560 -0.4238 -0.6408 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6012 -0.6820 3.8306 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4356 4.2387 -0.0339 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8086 4.5112 -1.8594 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9930 5.1634 -2.6753 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7949 3.8514 -3.5717 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0679 4.1873 -3.8412 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7410 -4.0685 2.0381 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1703 -3.1003 3.8013 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 0 0 0 0 2 5 1 0 0 0 0 2 10 1 0 0 0 0 2 23 1 0 0 0 0 3 4 2 0 0 0 0 3 11 1 0 0 0 0 4 8 1 0 0 0 0 4 13 1 0 0 0 0 5 6 2 0 0 0 0 5 15 1 0 0 0 0 6 17 1 0 0 0 0 6 8 1 0 0 0 0 7 12 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 12 1 0 0 0 0 9 16 1 0 0 0 0 9 10 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 14 1 0 0 0 0 11 19 2 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 18 2 0 0 0 0 13 32 1 0 0 0 0 14 20 1 0 0 0 0 15 21 2 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 22 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 M END > www.bindingDB.org > 50115642 > http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115642 > n/a > CHEBI:282635 > Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor > Rattus norvegicus > MNPDLDTGHNTSAPAHWGELKDDNFTGPNQTSSNSTLPQLDVTRAISVGLVLGAFILFAIVGNILVILSVACNRHLRTPTNYFIVNLAIADLLLSFTVLPFSATLEVLGYWVLGRIFCDIWAAVDVLCCTASILSLCAISIDRYIGVRYSLQYPTLVTRRKAILALLSVWVLSTVISIGPLLGWKEPAPNDDKECGVTEEPFYALFSSLGSFYIPLAVILVMYCRVYIVAKRTTKNLEAGVMKEMSNSKELTLRIHSKNFHEDTLSSTKAKGHNPRSSIAVKLFKFSREKKAAKTLGIVVGMFILCWLPFFIALPLGSLFSTLKPPDAVFKVVFWLGYFNSCLNPIIYPCSSKEFKRAFMRILGCQCRGGRRRRRRRRLGACAYTYRPWTRGGSLERSQSRKDSLDDSGSCMSGTQRTLPSASPSPGYLGRGTQPPVELCAFPEWKPGALLSLPEPPGRRGRLDSGPLFTFKLLGDPESPGTEGDTSNGGCDTTTDLANGQPGFKSNMPLAPGHF > n/a > P15823 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115642&enzyme=Alpha-1+Adrenergic+Receptor%2F+adrenergic+receptor%2F+adrenergic+receptor&column=ki&startPg=0&Increment=50&submit=Search > 205 > n/a > n/a > n/a > n/a > 12109911 > n/a > n/a > Dopamine D3 receptor > Homo sapiens > MASLSQLSSHLNYTCGAENSTGASQARPHAYYALSYCALILAIVFGNGLVCMAVLKERALQTTTNYLVVSLAVADLLVATLVMPWVVYLEVTGGVWNFSRICCDVFVTLDVMMCTASILNLCAISIDRYTAVVMPVHYQHGTGQSSCRRVALMITAVWVLAFAVSCPLLFGFNTTGDPTVCSISNPDFVIYSSVVSFYLPFGVTVLVYARIYVVLKQRRRKRILTRQNSQCNSVRPGFPQQTLSPDPAHLELKRYYSICQDTALGGPGFQERGGELKREEKTRNSLSPTIAPKLSLEVRKLSNGRLSTSLKLGPLQPRGVPLREKKATQMVAIVLGAFIVCWLPFFLTHVLNTHCQTCHVSPELYSATTWLGYVNSALNPVIYTTFNIEFRKAFLKILSC > n/a > P35462 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115642&enzyme=Dopamine+D3+receptor&column=ki&startPg=0&Increment=50&submit=Search > 3570 > n/a > n/a > n/a > n/a > 12109911 > n/a > n/a > Dopamine D4 receptor > Homo sapiens > MGNRSTADADGLLAGRGPAAGASAGASAGLAGQGAAALVGGVLLIGAVLAGNSLVCVSVATERALQTPTNSFIVSLAAADLLLALLVLPLFVYSEVQGGAWLLSPRLCDALMAMDVMLCTASIFNLCAISVDRFVAVAVPLRYNRQGGSRRQLLLIGATWLLSAAVAAPVLCGLNDVRGRDPAVCRLEDRDYVVYSSVCSFFLPCPLMLLLYWATFRGLQRWEVARRAKLHGRAPRRPSGPGPPSPTPPAPRLPQDPCGPDCAPPAPGLPRGPCGPDCAPAAPGLPPDPCGPDCAPPAPGLPQDPCGPDCAPPAPGLPRGPCGPDCAPPAPGLPQDPCGPDCAPPAPGLPPDPCGSNCAPPDAVRAAALPPQTPPQTRRRRRAKITGRERKAMRVLPVVVGAFLLCWTPFFVVHITQALCPACSVPPRLVSAVTWLGYVNSALNPVIYTVFNAEFRNVFRKALRACC > n/a > P21917 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115642&enzyme=Dopamine+D4+receptor&column=ki&startPg=0&Increment=50&submit=Search > 160 > n/a > n/a > n/a > n/a > 12109911 > n/a > n/a > Dopamine Receptor D2 > Rattus norvegicus > MDPLNLSWYDDDLERQNWSRPFNGSEGKADRPHYNYYAMLLTLLIFIIVFGNVLVCMAVSREKALQTTTNYLIVSLAVADLLVATLVMPWVVYLEVVGEWKFSRIHCDIFVTLDVMMCTASILNLCAISIDRYTAVAMPMLYNTRYSSKRRVTVMIAIVWVLSFTISCPLLFGLNNTDQNECIIANPAFVVYSSIVSFYVPFIVTLLVYIKIYIVLRKRRKRVNTKRSSRAFRANLKTPLKGNCTHPEDMKLCTVIMKSNGSFPVNRRRMDAARRAQELEMEMLSSTSPPERTRYSPIPPSHHQLTLPDPSHHGLHSNPDSPAKPEKNGHAKIVNPRIAKFFEIQTMPNGKTRTSLKTMSRRKLSQQKEKKATQMLAIVLGVFIICWLPFFITHILNIHCDCNIPPVLYSAFTWLGYVNSAVNPIIYTTFNIEFRKAFMKILHC > n/a > P61168 P61169 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115642&enzyme=Dopamine+Receptor+D2&column=ki&startPg=0&Increment=50&submit=Search > 460 > n/a > n/a > n/a > n/a > 12109911 > n/a > n/a > Norepinephrine transporter > Rattus norvegicus > MVTRTRETWGKKIDFLLSVVGFAVDLANVWRFPYLCYKNGGGAFLIPYTLFLIIAGMPLFYMELALGQFNREGAATVWKICPFFKGVGYAVILIALYVGFYYNVIIAWSLYYLFASFTLNLPWTNCGHAWNSPNCTDPKLLNASVLGDHTKYSKYKFTPAAEFYERGVLHLHESSGIHDIGLPQWQLLLCLMVVIVVLYVSLWKGVKTSGKVVWITATLPYFVLFVLLVHGVTLPGASNGINAYLHIDFYRLKEATVWIDAATQIFFSLGAGFGVLIAFASYNKFDNNCYRDALLTSTINCVTSFISGFAIFSILGYMAHEHKVKIEDVATEGAGLVFVLYPEAISTLSGSTFWAVLFFLMLLALGLDSSMGGMEAVITGLADDFQVLKRHRKLFTCAVTLGTFLLAMFCITKGGIYVLTLLDTFAAGTSILFAVLMEAIGVSWFYGVDRFSNDIQQMMGFKPGLYWRLCWKFVSPAFLLFVVVVSIINFKPLTYDDYVYPPWANWVGWGIALSSMILVPAYVIYKFFSIRGSLWERVAYGITPENEHHLLALEIELSSLQSFVITSCPIDPLLSSFLFISCQKTLVFKKSGPAPLI > n/a > n/a > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115642&enzyme=Norepinephrine+transporter&column=ki&startPg=0&Increment=50&submit=Search > n/a > 1240 > n/a > n/a > n/a > 12109911 > n/a > n/a > Serotonin 1f (5-HT1f) receptor/Receptor 1A/Receptor 1B/Receptor 1D/Receptor 1E > Homo sapiens > MDFLNSSDQNLTSEELLNRMPSKILVSLTLSGLALMTTTINSLVIAAIIVTRKLHHPANYLICSLAVTDFLVAVLVMPFSIVYIVRESWIMGQVVCDIWLSVDITCCTCSILHLSAIALDRYRAITDAVEYARKRTPKHAGIMITIVWIISVFISMPPLFWRHQGTSRDDECIIKHDHIVSTIYSTFGAFYIPLALILILYYKIYRAAKTLYHKRQASRIAKEEVNGQVLLESGEKSTKSVSTSYVLEKSLSDPSTDFDKIHSTVRSLRSEFKHEKSWRRQKISGTRERKAATTLGLILGAFVICWLPFFVKELVVNVCDKCKISEEMSNFLAWLGYLNSLINPLIYTIFNEDFKKAFQKLVRCRC > n/a > P30939 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115642&enzyme=Serotonin+1f+%285-HT1f%29+receptor%2FReceptor+1A%2FReceptor+1B%2FReceptor+1D%2FReceptor+1E&column=ki&startPg=0&Increment=50&submit=Search > 13 > n/a > n/a > n/a > n/a > 12109911 > n/a > n/a > Serotonin 2c (5-HT2c) receptor > Rattus norvegicus > MVNLGNAVRSLLMHLIGLLVWQFDISISPVAAIVTDTFNSSDGGRLFQFPDGVQNWPALSIVVIIIMTIGGNILVIMAVSMEKKLHNATNYFLMSLAIADMLVGLLVMPLSLLAILYDYVWPLPRYLCPVWISLDVLFSTASIMHLCAISLDRYVAIRNPIEHSRFNSRTKAIMKIAIVWAISIGVSVPIPVIGLRDESKVFVNNTTCVLNDPNFVLIGSFVAFFIPLTIMVITYFLTIYVLRRQTLMLLRGHTEEELANMSLNFLNCCCKKNGGEEENAPNPNPDQKPRRKKKEKRPRGTMQAINNEKKASKVLGIVFFVFLIMWCPFFITNILSVLCGKACNQKLMEKLLNVFVWIGYVCSGINPLVYTLFNKIYRRAFSKYLRCDYKPDKKPPVRQIPRVAATALSGRELNVNIYRHTNERVARKANDPEPGIEMQVENLELPVNPSNVVSERISSV > n/a > P08909 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115642&enzyme=Serotonin+2c+%285-HT2c%29+receptor&column=ki&startPg=0&Increment=50&submit=Search > 0.16 > n/a > n/a > n/a > n/a > 12109911 > n/a > n/a > Serotonin Receptor 1A > Homo sapiens > MDVLSPGQGNNTTSPPAPFETGGNTTGISDVTVSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSDPDACTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVKKVEKTGADTRHGASPAPQPKKSVNGESGSRNWRLGVESKAGGALCANGAVRQGDDGAALEVIEVHRVGNSKEHLPLPSEAGPTPCAPASFERKNERNAEAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPFCESSCHMPTLLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFCRQ > n/a > P08908 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115642&enzyme=Serotonin+Receptor+1A&column=ki&startPg=0&Increment=50&submit=Search > 800 > n/a > n/a > n/a > n/a > 12109911 > n/a > n/a > Serotonin Receptor 1D > Homo sapiens > MSPLNQSAEGLPQEASNRSLNATETSEAWDPRTLQALKISLAVVLSVITLATVLSNAFVLTTILLTRKLHTPANYLIGSLATTDLLVSILVMPISIAYTITHTWNFGQILCDIWLSSDITCCTASILHLCVIALDRYWAITDALEYSKRRTAGHAATMIAIVWAISICISIPPLFWRQAKAQEEMSDCLVNTSQISYTIYSTCGAFYIPSVLLIILYGRIYRAARNRILNPPSLYGKRFTTAHLITGSAGSSLCSLNSSLHEGHSHSAGSPLFFNHVKIKLADSALERKRISAARERKATKILGIILGAFIICWLPFFVVSLVLPICRDSCWIHPALFDFFTWLGYLNSLINPIIYTVFNEEFRQAFQKIVPFRKAS > n/a > P28221 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115642&enzyme=Serotonin+Receptor+1D&column=ki&startPg=0&Increment=50&submit=Search > 1470 > n/a > n/a > n/a > n/a > 12109911 > n/a > n/a > Serotonin Receptor 2A > Rattus norvegicus > MEILCEDNISLSSIPNSLMQLGDGPRLYHNDFNSRDANTSEASNWTIDAENRTNLSCEGYLPPTCLSILHLQEKNWSALLTTVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAIWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHSRFNSRTKAFLKIIAVWTISVGISMPIPVFGLQDDSKVFKEGSCLLADDNFVLIGSFVAFFIPLTIMVITYFLTIKSLQKEATLCVSDLSTRAKLASFSFLPQSSLSSEKLFQRSIHREPGSYAGRRTMQSISNEQKACKVLGIVFFLFVVMWCPFFITNIMAVICKESCNENVIGALLNVFVWIGYLSSAVNPLVYTLFNKTYRSAFSRYIQCQYKENRKPLQLILVNTIPALAYKSSQLQVGQKKNSQEDAEQTVDDCSMVTLGKQQSEENCTDNIETVNEKVSCV > n/a > P14842 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115642&enzyme=Serotonin+Receptor+2A&column=ki&startPg=0&Increment=50&submit=Search > 0.55 > n/a > n/a > n/a > n/a > 12109911 > n/a > n/a > Serotonin Receptor 2A/2B/2C > Homo sapiens > MDILCEENTSLSSTTNSLMQLNDDTRLYSNDFNSGEANTSDAFNWTVDSENRTNLSCEGCLSPSCLSLLHLQEKNWSALLTAVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAVWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHSRFNSRTKAFLKIIAVWTISVGISMPIPVFGLQDDSKVFKEGSCLLADDNFVLIGSFVSFFIPLTIMVITYFLTIKSLQKEATLCVSDLGTRAKLASFSFLPQSSLSSEKLFQRSIHREPGSYTGRRTMQSISNEQKACKVLGIVFFLFVVMWCPFFITNIMAVICKESCNEDVIGALLNVFVWIGYLSSAVNPLVYTLFNKTYRSAFSRYIQCQYKENKKPLQLILVNTIPALAYKSSQLQMGQKKNSKQDAKTTDNDCSMVALGKQHSEEASKDNSDGVNEKVSCV > n/a > P28223 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115642&enzyme=Serotonin+Receptor+2A%2F2B%2F2C&column=ki&startPg=0&Increment=50&submit=Search > 60 > n/a > n/a > n/a > n/a > 12109911 > n/a > n/a > Serotonin Transporter (SERT) > Rattus norvegicus > METTPLNSQKVLSECKDREDCQENGVLQKGVPTTADRAEPSQISNGYSAVPSTSAGDEASHSIPAATTTLVAEIRQGERETWGKKMDFLLSVIGYAVDLGNIWRFPYICYQNGGGAFLLPYTIMAIFGGIPLFYMELALGQYHRNGCISIWRKICPIFKGIGYAICIIAFYIASYYNTIIAWALYYLISSLTDRLPWTSCTNSWNTGNCTNYFAQDNITWTLHSTSPAEEFYLRHVLQIHQSKGLQDLGTISWQLTLCIVLIFTVIYFSIWKGVKTSGKVVWVTATFPYIVLSVLLVRGATLPGAWRGVVFYLKPNWQKLLETGVWVDAAAQIFFSLGPGFGVLLAFASYNKFNNNCYQDALVTSVVNCMTSFVSGFVIFTVLGYMAEMRNEDVSEVAKDAGPSLLFITYAEAIANMPASTFFAIIFFLMLITLGLDSTFAGLEGVITAVLDEFPHIWAKRREWFVLIVVITCVLGSLLTLTSGGAYVVTLLEEYATGPAVLTVALIEAVAVSWFYGITQFCSDVKEMLGFSPGWFWRICWVAISPLFLLFIICSFLMSPPQLRLFQYNYPHWSIVLGYCIGMSSVICIPTYIIYRLISTPGTLKERIIKSITPETPTEIPCGDIRMNAV > n/a > n/a > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115642&enzyme=Serotonin+Transporter+%28SERT%29&column=ki&startPg=0&Increment=50&submit=Search > n/a > 1650 > n/a > n/a > n/a > 12109911 > n/a > n/a $$$$ Wcorina 01220710483D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 60 64 0 0 0 999 V2000 -0.0162 1.3451 0.0094 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2557 1.8211 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1278 0.6470 -0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4180 -1.0073 -0.0551 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0791 -5.7222 -0.2993 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8484 -5.7225 1.5712 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2296 2.1744 0.0199 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2685 -0.4670 -0.0126 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7809 -5.5064 -0.6746 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9870 -5.4951 0.4074 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0320 -0.8157 -0.0408 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2871 -6.2227 6.3313 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1563 -5.8587 1.0666 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5130 0.4652 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9072 -1.9269 0.9760 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4643 -6.1444 5.2119 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6171 -5.8163 2.9417 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7517 -2.4384 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0550 -0.3295 1.0826 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1372 3.3874 0.0256 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8112 -1.7469 -0.0246 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1774 -1.9176 -0.0381 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6876 -6.0457 3.8009 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2137 -6.0873 1.9449 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4445 1.5910 0.0233 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2702 -2.6047 -0.1617 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5735 -0.4957 0.9869 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9850 -6.1799 3.2858 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3623 -2.1280 0.9611 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4943 -5.2888 0.4227 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6706 -3.6036 0.6997 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1861 -3.8131 0.6841 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5614 2.8569 0.0022 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8328 -5.7753 -0.9075 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4449 -5.3653 -1.6913 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1736 1.3196 -0.0311 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6161 -5.7128 3.3338 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3922 -2.9026 0.8524 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2788 -2.9156 -0.9243 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8033 0.7308 1.0617 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6990 -0.7698 2.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1602 -2.6087 -0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5914 -2.9150 -0.0474 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2180 -6.1923 1.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5182 0.6238 0.0187 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2453 2.1383 0.0302 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6262 -2.1644 -1.0931 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5219 -3.6650 -0.1407 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0464 -0.0186 1.8453 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9330 -0.0315 0.0686 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8113 -6.3577 3.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8052 -1.5192 0.1728 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7796 -1.8347 1.9244 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0771 -5.5820 -0.5406 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0515 -5.8976 1.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2277 -4.2125 1.4879 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2533 -3.8969 -0.2636 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6033 -3.5199 1.6474 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6289 -3.2043 -0.1041 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 8 1 0 0 0 0 2 9 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 4 15 1 0 0 0 0 4 9 2 0 0 0 0 5 12 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 10 1 0 0 0 0 6 14 1 0 0 0 0 6 35 1 0 0 0 0 7 11 1 0 0 0 0 7 14 2 0 0 0 0 7 18 1 0 0 0 0 8 21 2 0 0 0 0 8 26 1 0 0 0 0 9 22 1 0 0 0 0 10 11 2 0 0 0 0 10 36 1 0 0 0 0 11 31 1 0 0 0 0 12 15 2 0 0 0 0 12 23 1 0 0 0 0 13 17 3 0 0 0 0 14 25 1 0 0 0 0 15 37 1 0 0 0 0 16 28 1 0 0 0 0 16 30 1 0 0 0 0 16 27 1 0 0 0 0 17 24 1 0 0 0 0 18 24 2 0 0 0 0 18 38 1 0 0 0 0 19 27 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 28 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 22 23 2 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 24 29 1 0 0 0 0 25 29 2 0 0 0 0 25 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 29 52 1 0 0 0 0 30 32 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 31 33 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 32 33 1 0 0 0 0 32 57 1 0 0 0 0 32 58 1 0 0 0 0 33 59 1 0 0 0 0 33 60 1 0 0 0 0 M END > www.bindingDB.org > 50151982 > http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50151982 > n/a > CHEBI:412971 > Alpha-1a/Alpha-1b/Alpha-1d adrenergic receptor > Homo sapiens > MTFRDLLSVSFEGPRPDSSAGGSSAGGGGGSAGGAAPSEGPAVGGVPGGAGGGGGVVGAGSGEDNRSSAGEPGSAGAGGDVNGTAAVGGLVVSAQGVGVGVFLAAFILMAVAGNLLVILSVACNRHLQTVTNYFIVNLAVADLLLSATVLPFSATMEVLGFWAFGRAFCDVWAAVDVLCCTASILSLCTISVDRYVGVRHSLKYPAIMTERKAAAILALLWVVALVVSVGPLLGWKEPVPPDERFCGITEEAGYAVFSSVCSFYLPMAVIVVMYCRVYVVARSTTRSLEAGVKRERGKASEVVLRIHCRGAATGADGAHGMRSAKGHTFRSSLSVRLLKFSREKKAAKTLAIVVGVFVLCWFPFFFVLPLGSLFPQLKPSEGVFKVIFWLGYFNSCVNPLIYPCSSREFKRAFLRLLRCQCRRRRRRRPLWRVYGHHWRASTSGLRQDCAPSSGDAPPGAPLALTALPDPDPEPPGTPEMQAPVASRRKPPSAFREWRLLGPFRRPTTQLRAKVSSLSHKIRAGGAQRAEAACAQRSEVEAVSLGVPHEVAEGATCQAYELADYSNLRETDI > n/a > P25100 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50151982&enzyme=Alpha-1a%2FAlpha-1b%2FAlpha-1d+adrenergic+receptor&column=ki&startPg=0&Increment=50&submit=Search > n/a > 1980 > n/a > n/a > n/a > 15341484 > n/a > n/a > Alpha-2a/Alpha-2b/Alpha-2c adrenergic receptor > Homo sapiens > MASPALAAALAVAAAAGPNASGAGERGSGGVANASGASWGPPRGQYSAGAVAGLAAVVGFLIVFTVVGNVLVVIAVLTSRALRAPQNLFLVSLASADILVATLVMPFSLANELMAYWYFGQVWCGVYLALDVLFCTSSIVHLCAISLDRYWSVTQAVEYNLKRTPRRVKATIVAVWLISAVISFPPLVSLYRQPDGAAYPQCGLNDETWYILSSCIGSFFAPCLIMGLVYARIYRVAKLRTRTLSEKRAPVGPDGASPTTENGLGAAAGAGENGHCAPPPADVEPDESSAAAERRRRRGALRRGGRRRAGAEGGAGGADGQGAGPGAAESGALTASRSPGPGGRLSRASSRSVEFFLSRRRRARSSVCRRKVAQAREKRFTFVLAVVMGVFVLCWFPFFFSYSLYGICREACQVPGPLFKFFFWIGYCNSSLNPVIYTVFNQDFRRSFKHILFRRRRRGFRQ > n/a > P18825 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50151982&enzyme=Alpha-2a%2FAlpha-2b%2FAlpha-2c+adrenergic+receptor&column=ki&startPg=0&Increment=50&submit=Search > n/a > 6000 > n/a > n/a > n/a > 15341484 > n/a > n/a > Cholecystokinin A receptor/Histamine H2 Receptor > Homo sapiens > MAPNGTASSFCLDSTACKITITVVLAVLILITVAGNVVVCLAVGLNRRLRNLTNCFIVSLAITDLLLGLLVLPFSAIYQLSCKWSFGKVFCNIYTSLDVMLCTASILNLFMISLDRYCAVMDPLRYPVLVTPVRVAISLVLIWVISITLSFLSIHLGWNSRNETSKGNHTTSKCKVQVNEVYGLVDGLVTFYLPLLIMCITYYRIFKVARDQAKRINHISSWKAATIREHKATVTLAAVMGAFIICWFPYFTAFVYRGLRGDDAINEVLEAIVLWLGYANSALNPILYAALNRDFRTGYQQLFCCRLANRNSHKTSLRSNASQLSRTQSREPRQQEEKPLKLQVWSGTEVTAPQGATDR > n/a > P25021 P61752 Q76MS7 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50151982&enzyme=Cholecystokinin+A+receptor%2FHistamine+H2+Receptor&column=ki&startPg=0&Increment=50&submit=Search > n/a > >1000 > n/a > n/a > n/a > 15341484 > n/a > n/a > Dopamine D3 receptor > Rattus norvegicus > MAPLSQISTHLNSTCGAENSTGVNRARPHAYYALSYCALILAIIFGNGLVCAAVLRERALQTTTNYLVVSLAVADLLVATLVMPWVVYLEVTGGVWNFSRICCDVFVTLDVMMCTASILNLCAISIDRYTAVVMPVHYQHGTGQSSCRRVALMITAVWVLAFAVSCPLLFGFNTTGDPSICSISNPDFVIYSSVVSFYVPFGVTVLVYARIYIVLRQRQRKRILTRQNSQCISIRPGFPQQSSCLRLHPIRQFSIRARFLSDATGQMEHIEDKQYPQKCQDPLLSHLQPPSPGQTHGGLKRYYSICQDTALRHPSLEGGAGMSPVERTRNSLSPTMAPKLSLEVRKLSNGRLSTSLRLGPLQPRGVPLREKKATQMVVIVLGAFIVCWLPFFLTHVLNTHCQACHVSPELYRATTWLGYVNSALNPVIYTTFNVEFRKAFLKILSC > n/a > P19020 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50151982&enzyme=Dopamine+D3+receptor&column=ki&startPg=0&Increment=50&submit=Search > n/a > 71 > n/a > n/a > n/a > 15341484 > n/a > n/a > Dopamine D4 receptor > Rattus norvegicus > MGNSSATGDGGLLAGRGPESLGTGTGLGGAGAAALVGGVLLIGMVLAGNSLVCVSVASERILQTPTNYFIVSLAAADLLLAVLVLPLFVYSEVQGGVWLLSPRLCDTLMAMDVMLCTASIFNLCAISVDRFVAVTVPLRYNQQGQCQLLLIAATWLLSAAVAAPVVCGLNDVPGRDPTVCCLEDRDYVVYSSICSFFLPCPLMLLLYWATFRGLRRWEAARHTKLHSRAPRRPSGPGPPVSDPTQGPLFSDCPPPSPSLRTSPTVSSRPESDLSQSPCSPGCLLPDAALAQPPAPSSRRKRGAKITGRERKAMRVLPVVVGAFLMCWTPFFVVHITRALCPACFVSPRLVSAVTWLGYVNSALNPIIYTIFNAEFRSVFRKTLRLRC > n/a > n/a > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50151982&enzyme=Dopamine+D4+receptor&column=ki&startPg=0&Increment=50&submit=Search > n/a > 3400 > n/a > n/a > n/a > 15341484 > n/a > n/a > Dopamine Receptor D2 > Rattus norvegicus > MDPLNLSWYDDDLERQNWSRPFNGSEGKADRPHYNYYAMLLTLLIFIIVFGNVLVCMAVSREKALQTTTNYLIVSLAVADLLVATLVMPWVVYLEVVGEWKFSRIHCDIFVTLDVMMCTASILNLCAISIDRYTAVAMPMLYNTRYSSKRRVTVMIAIVWVLSFTISCPLLFGLNNTDQNECIIANPAFVVYSSIVSFYVPFIVTLLVYIKIYIVLRKRRKRVNTKRSSRAFRANLKTPLKGNCTHPEDMKLCTVIMKSNGSFPVNRRRMDAARRAQELEMEMLSSTSPPERTRYSPIPPSHHQLTLPDPSHHGLHSNPDSPAKPEKNGHAKIVNPRIAKFFEIQTMPNGKTRTSLKTMSRRKLSQQKEKKATQMLAIVLGVFIICWLPFFITHILNIHCDCNIPPVLYSAFTWLGYVNSAVNPIIYTTFNIEFRKAFMKILHC > n/a > P61168 P61169 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50151982&enzyme=Dopamine+Receptor+D2&column=ki&startPg=0&Increment=50&submit=Search > n/a > 666 > n/a > n/a > n/a > 15341484 > n/a > n/a > Histamine H1 Receptor > Cavia porcellus > MSFLPGMTPVTLSNFSWALEDRMLEGNSTTTPTRQLMPLVVVLSSVSLVTVALNLLVLYAVRSERKLHTVGNLYIVSLSVADLIVGAVVMPMSILYLHRSAWILGRPLCLFWLSMDYVASTASIFSVFILCIDRYRSVQQPLRYLRYRTKTRASATILGAWLLSFLWVIPILGWHHFMAPTSEPREKKCETDFYDVTWFKVMTAIINFYLPTLLMLWFYIRIYKAVRRHCQHRQLINSSLPSFSEMKLKLENAKVDTRRMGKESPWEDPKRCSKDASGVHTPMPSSQHLVDMPCAAVLSEDEGGEVGTRQMPMLAVGDGRCCEALNHMHSQLELSGQSRATHSISARPEEWTVVDGQSFPITDSDTSTEAAPMGGQPRSGSNSGLDYIKFTWRRLRSHSRQYTSGLHLNRERKAAKQLGCIMAAFILCWIPYFVFFMVIAFCKSCSNEPVHMFTIWLGYLNSTLNPLIYPLCNENFRKTFKRILRIPP > n/a > P31389 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50151982&enzyme=Histamine+H1+Receptor&column=ki&startPg=0&Increment=50&submit=Search > n/a > 317 > n/a > n/a > n/a > 15341484 > n/a > n/a > Kappa Opioid Receptor > Cavia porcellus > MGRRRQGPAQPASELPARNACLLPNGSAWLPGWAEPDGNGSAGPQDEQLEPAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSTVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLSSSVGISAIILGGTKVREDVDIIECSLQFPDDDYSWWDLFMKICVFVFAFVIPVLIIIVCYTLMILRLKSVRLLSGSREKDRNLRRITRLVLVVVAVFIICWTPIHIFILVEALGSTSHSTAALSSYYFCIALGYTNSSLNPILYAFLDENFKRCFRDFCFPIKMRMERQSTSRVRNTVQDPAYMRNVDGVNKPV > n/a > n/a > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50151982&enzyme=Kappa+Opioid+Receptor&column=ki&startPg=0&Increment=50&submit=Search > n/a > >1000 > n/a > n/a > n/a > 15341484 > n/a > n/a > Serotonin 1b (5-HT1b) receptor > Rattus norvegicus > MEEQGIQCAPPPPATSQTGVPLANLSHNCSADDYIYQDSIALPWKVLLVALLALITLATTLSNAFVIATVYRTRKLHTPANYLIASLAVTDLLVSILVMPISTMYTVTGRWTLGQVVCDFWLSSDITCCTASIMHLCVIALDRYWAITDAVDYSAKRTPKRAAIMIVLVWVFSISISLPPFFWRQAKAEEEVLDCFVNTDHVLYTVYSTVGAFYLPTLLLIALYGRIYVEARSRILKQTPNKTGKRLTRAQLITDSPGSTSSVTSINSRVPEVPSESGSPVYVNQVKVRVSDALLEKKKLMAARERKATKTLGIILGAFIVCWLPFFIISLVMPICKDACWFHMAIFDFFNWLGYLNSLINPIIYTMSNEDFKQAFHKLIRFKCTG > n/a > P28564 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50151982&enzyme=Serotonin+1b+%285-HT1b%29+receptor&column=ki&startPg=0&Increment=50&submit=Search > n/a > 5000 > n/a > n/a > n/a > 15341484 > n/a > n/a > Serotonin 1d (5-HT1d) receptor > Rattus norvegicus > MSLPNQSLEGLPQEASNRSLNATGAWDPEVLQALRISLVVVLSIITLATVLSNAFVLTTILLTKKLHTPANYLIGSLATTDLLVSILVMPISIAYTTTRTWNFGQILCDIWVSSDITCCTASILHLCVIALDRYWAITDALEYSKRRTAGHAAAMIAAVWAISICISIPPLFWRQATAHEEMSDCLVNTSQISYTIYSTCGAFYIPSILLIILYGRIYVAARSRILNPPSLYGKRFTTAQLITGSAGSSLCSLNPSLHESHTHTVGSPLFFNQVKIKLADSILERKRISAARERKATKTLGIILGAFIICWLPFFVVSLVLPICRDSCWIHPALFDFFTWLGYLNSLINPVIYTVFNEDFRQAFQRVVHFRKAS > n/a > n/a > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50151982&enzyme=Serotonin+1d+%285-HT1d%29+receptor&column=ki&startPg=0&Increment=50&submit=Search > n/a > 4000 > n/a > n/a > n/a > 15341484 > n/a > n/a > Serotonin 2c (5-HT2c) receptor > Rattus norvegicus > MVNLGNAVRSLLMHLIGLLVWQFDISISPVAAIVTDTFNSSDGGRLFQFPDGVQNWPALSIVVIIIMTIGGNILVIMAVSMEKKLHNATNYFLMSLAIADMLVGLLVMPLSLLAILYDYVWPLPRYLCPVWISLDVLFSTASIMHLCAISLDRYVAIRNPIEHSRFNSRTKAIMKIAIVWAISIGVSVPIPVIGLRDESKVFVNNTTCVLNDPNFVLIGSFVAFFIPLTIMVITYFLTIYVLRRQTLMLLRGHTEEELANMSLNFLNCCCKKNGGEEENAPNPNPDQKPRRKKKEKRPRGTMQAINNEKKASKVLGIVFFVFLIMWCPFFITNILSVLCGKACNQKLMEKLLNVFVWIGYVCSGINPLVYTLFNKIYRRAFSKYLRCDYKPDKKPPVRQIPRVAATALSGRELNVNIYRHTNERVARKANDPEPGIEMQVENLELPVNPSNVVSERISSV > n/a > P08909 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50151982&enzyme=Serotonin+2c+%285-HT2c%29+receptor&column=ki&startPg=0&Increment=50&submit=Search > n/a > 2000 > n/a > n/a > n/a > 15341484 > n/a > n/a > Serotonin 4 (5-HT4) receptor > Rattus norvegicus > MDRLDANVSSNEGFGSVEKVVLLTFFAMVILMAILGNLLVMVAVCRDRQLRKIKTNYFIVSLAFADLLVSVLVNAFGAIELVQDIWFYGEMFCLVRTSLDVLLTTASIFHLCCISLDRYYAICCQPLVYRNKMTPLRIALMLGGCWVIPMFISFLPIMQGWNNIGIVDVIEKRKFNHNSNSTFCVFMVNKPYAITCSVVAFYIPFLLMVLAYYRIYVTAKEHAQQIQMLQRAGATSESRPQTADQHSTHRMRTETKAAKTLCVIMGCFCFCWAPFFVTNIVDPFIDYTVPEKVWTAFLWLGYINSGLNPFLYAFLNKSFRRAFLIILCCDDERYKRPPILGQTVPCSTTTINGSTHVLRDTVECGGQWESRCHLTATSPLVAAQPVIRRPQDNDLEDSCSLKRSQS > n/a > Q62758 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50151982&enzyme=Serotonin+4+%285-HT4%29+receptor&column=ki&startPg=0&Increment=50&submit=Search > n/a > 252 > n/a > n/a > n/a > 15341484 > n/a > n/a > Serotonin 6 (5-HT6) receptor > Rattus norvegicus > MVPEPGPVNSSTPAWGPGPPPAPGGSGWVAAALCVVIVLTAAANSLLIVLICTQPALRNTSNFFLVSLFTSDLMVGLVVMPPAMLNALYGRWVLARGLCLLWTAFDVMCCSASILNLCLISLDRYLLILSPLRYKLRMTAPRALALILGAWSLAALASFLPLLLGWHELGKARTPAPGQCRLLASLPFVLVASGVTFFLPSGAICFTYCRILLAARKQAVQVASLTTGTAGQALETLQVPRTPRPGMESADSRRLATKHSRKALKASLTLGILLGMFFVTWLPFFVANIAQAVCDCISPGLFDVLTWLGYCNSTMNPIIYPLFMRDFKRALGRFLPCVHCPPEHRPALPPPPCGPLTAVPDQASACSRCCLCLCRQTQIQTPLQGAPRACSSQPSFCCLERPPGTPRHPPGPPLWSTSLSQTLWSLRYGRIHSVPP > n/a > P31388 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50151982&enzyme=Serotonin+6+%285-HT6%29+receptor&column=ki&startPg=0&Increment=50&submit=Search > n/a > 3000 > n/a > n/a > n/a > 15341484 > n/a > n/a > Serotonin Receptor 1A > Rattus norvegicus > MDVFSFGQGNNTTASQEPFGTGGNVTSISDVTFSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSDPDACTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVRKVEKKGAGTSLGTSSAPPPKKSLNGQPGSGDWRRCAENRAVGTPCTNGAVRQGDDEATLEVIEVHRVGNSKEHLPLPSESGSNSYAPACLERKNERNAEAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPFCESSCHMPALLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFCRR > n/a > P19327 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50151982&enzyme=Serotonin+Receptor+1A&column=ki&startPg=0&Increment=50&submit=Search > n/a > 0.3 > n/a > n/a > n/a > 15341484 > n/a > n/a > Serotonin Receptor 2A > Rattus norvegicus > MEILCEDNISLSSIPNSLMQLGDGPRLYHNDFNSRDANTSEASNWTIDAENRTNLSCEGYLPPTCLSILHLQEKNWSALLTTVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAIWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHSRFNSRTKAFLKIIAVWTISVGISMPIPVFGLQDDSKVFKEGSCLLADDNFVLIGSFVAFFIPLTIMVITYFLTIKSLQKEATLCVSDLSTRAKLASFSFLPQSSLSSEKLFQRSIHREPGSYAGRRTMQSISNEQKACKVLGIVFFLFVVMWCPFFITNIMAVICKESCNENVIGALLNVFVWIGYLSSAVNPLVYTLFNKTYRSAFSRYIQCQYKENRKPLQLILVNTIPALAYKSSQLQVGQKKNSQEDAEQTVDDCSMVTLGKQQSEENCTDNIETVNEKVSCV > n/a > P14842 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50151982&enzyme=Serotonin+Receptor+2A&column=ki&startPg=0&Increment=50&submit=Search > n/a > 1510 > n/a > n/a > n/a > 15341484 > n/a > n/a > Serotonin Receptor 7 > Rattus norvegicus > MMDVNSSGRPDLYGHLRSLILPEVGRGLQDLSPDGGAHPVVSSWMPHLLSGFLEVTASPAPTWDAPPDNVSGCGEQINYGRVEKVVIGSILTLITLLTIAGNCLVVISVCFVKKLRQPSNYLIVSLALADLSVAVAVMPFVSVTDLIGGKWIFGHFFCNVFIAMDVMCCTASIMTLCVISIDRYLGITRPLTYPVRQNGKCMAKMILSVWLLSASITLPPLFGWAQNVNDDKVCLISQDFGYTIYSTAVAFYIPMSVMLFMYYQIYKAARKSAAKHKFPGFPRVQPESVISLNGVVKLQKEVEECANLSRLLKHERKNISIFKREQKAATTLGIIVGAFTVCWLPFFLLSTARPFICGTSCSCIPLWVERTCLWLGYANSLINPFIYAFFNRDLRTTYRSLLQCQYRNINRKLSAAGMHEALKLAERPERSEFVLQNSDHCGKKGHDT > n/a > P32305 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50151982&enzyme=Serotonin+Receptor+7&column=ki&startPg=0&Increment=50&submit=Search > n/a > 3000 > n/a > n/a > n/a > 15341484 > n/a > n/a > Serotonin Transporter (SERT) > Rattus norvegicus > METTPLNSQKVLSECKDREDCQENGVLQKGVPTTADRAEPSQISNGYSAVPSTSAGDEASHSIPAATTTLVAEIRQGERETWGKKMDFLLSVIGYAVDLGNIWRFPYICYQNGGGAFLLPYTIMAIFGGIPLFYMELALGQYHRNGCISIWRKICPIFKGIGYAICIIAFYIASYYNTIIAWALYYLISSLTDRLPWTSCTNSWNTGNCTNYFAQDNITWTLHSTSPAEEFYLRHVLQIHQSKGLQDLGTISWQLTLCIVLIFTVIYFSIWKGVKTSGKVVWVTATFPYIVLSVLLVRGATLPGAWRGVVFYLKPNWQKLLETGVWVDAAAQIFFSLGPGFGVLLAFASYNKFNNNCYQDALVTSVVNCMTSFVSGFVIFTVLGYMAEMRNEDVSEVAKDAGPSLLFITYAEAIANMPASTFFAIIFFLMLITLGLDSTFAGLEGVITAVLDEFPHIWAKRREWFVLIVVITCVLGSLLTLTSGGAYVVTLLEEYATGPAVLTVALIEAVAVSWFYGITQFCSDVKEMLGFSPGWFWRICWVAISPLFLLFIICSFLMSPPQLRLFQYNYPHWSIVLGYCIGMSSVICIPTYIIYRLISTPGTLKERIIKSITPETPTEIPCGDIRMNAV > n/a > n/a > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50151982&enzyme=Serotonin+Transporter+%28SERT%29&column=ki&startPg=0&Increment=50&submit=Search > n/a > 0.5 > n/a > n/a > n/a > 15341484 > n/a > n/a $$$$ Wcorina 01220710483D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 62 66 0 1 0 999 V2000 0.0062 1.4547 -0.1403 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0024 0.1123 -0.1612 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2772 -0.6851 -0.1301 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3018 2.1806 -0.1049 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2662 2.2061 -0.1585 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3244 1.6088 -0.1926 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2533 3.5536 -0.1374 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3803 1.4997 -0.4405 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3551 0.0522 -0.9232 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7629 -0.4366 -0.5111 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5966 0.7171 -0.7753 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8353 1.8768 -0.3847 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1962 -1.6259 -1.3706 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5338 -2.1644 -0.8591 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9498 -3.3062 -1.6844 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3322 -3.7006 -1.3793 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6995 -4.9392 -2.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5437 -4.6397 -3.6303 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1613 -4.2454 -3.9353 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7941 -3.0068 -3.1146 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9382 -5.7226 -4.4129 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0095 -6.4171 -5.1582 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 -7.5007 -5.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6921 -7.9044 -5.9974 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2938 -6.1151 -4.4544 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6708 -7.2231 -5.2529 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0187 -7.6179 -5.2901 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9421 -6.9346 -4.5555 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5676 -5.8474 -3.7655 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2719 -5.4319 -3.7157 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2376 -7.3160 -4.5928 F 0 0 0 0 0 0 0 0 0 0 0 0 7.4543 -4.0216 0.1117 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9476 -0.4086 -0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6047 -0.8065 0.9025 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1054 -1.6654 -0.5746 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3580 3.2202 0.1822 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4089 4.0302 -0.1103 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0885 4.0469 -0.1494 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1970 -0.0185 -1.9994 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7868 -0.6954 0.5475 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0312 2.6978 -1.0744 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1035 2.1713 0.6299 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4421 -2.4107 -1.3116 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3060 -1.3047 -2.4064 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2879 -1.3795 -0.9182 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4240 -2.4855 0.1767 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0078 -2.8834 -1.6321 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7339 -5.2163 -1.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0415 -5.7643 -1.9274 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0744 -4.0167 -4.9975 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4858 -5.0626 -3.6825 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7596 -2.7297 -3.3176 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4521 -2.1817 -3.3872 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9723 -6.1171 -5.1325 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6479 -8.0303 -6.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9706 -8.7477 -6.6119 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3216 -8.4582 -5.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3174 -5.3226 -3.1921 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9960 -4.5887 -3.0999 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7793 -4.8395 0.3637 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4797 -4.3141 0.3376 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1908 -3.1399 0.6959 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 3 9 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 8 2 0 0 0 0 4 36 1 0 0 0 0 5 7 1 0 0 0 0 5 6 2 0 0 0 0 7 37 1 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 16 47 1 0 0 0 0 17 18 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 21 22 2 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 54 1 0 0 0 0 23 24 2 0 0 0 0 23 55 1 0 0 0 0 24 26 1 0 0 0 0 24 56 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 57 1 0 0 0 0 28 29 2 0 0 0 0 28 31 1 0 0 0 0 29 30 1 0 0 0 0 29 58 1 0 0 0 0 30 59 1 0 0 0 0 32 60 1 0 0 0 0 32 61 1 0 0 0 0 32 62 1 0 0 0 0 M END > www.bindingDB.org > 50210634 > http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50210634 > n/a > CHEBI:495939 > Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor > Rattus norvegicus > MNPDLDTGHNTSAPAHWGELKDDNFTGPNQTSSNSTLPQLDVTRAISVGLVLGAFILFAIVGNILVILSVACNRHLRTPTNYFIVNLAIADLLLSFTVLPFSATLEVLGYWVLGRIFCDIWAAVDVLCCTASILSLCAISIDRYIGVRYSLQYPTLVTRRKAILALLSVWVLSTVISIGPLLGWKEPAPNDDKECGVTEEPFYALFSSLGSFYIPLAVILVMYCRVYIVAKRTTKNLEAGVMKEMSNSKELTLRIHSKNFHEDTLSSTKAKGHNPRSSIAVKLFKFSREKKAAKTLGIVVGMFILCWLPFFIALPLGSLFSTLKPPDAVFKVVFWLGYFNSCLNPIIYPCSSKEFKRAFMRILGCQCRGGRRRRRRRRLGACAYTYRPWTRGGSLERSQSRKDSLDDSGSCMSGTQRTLPSASPSPGYLGRGTQPPVELCAFPEWKPGALLSLPEPPGRRGRLDSGPLFTFKLLGDPESPGTEGDTSNGGCDTTTDLANGQPGFKSNMPLAPGHF > n/a > P15823 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50210634&enzyme=Alpha-1+Adrenergic+Receptor%2F+adrenergic+receptor%2F+adrenergic+receptor&column=ki&startPg=0&Increment=50&submit=Search > 43 > n/a > n/a > n/a > n/a > 17434731 > n/a > n/a > Dopamine Receptor D2 > Rattus norvegicus > MDPLNLSWYDDDLERQNWSRPFNGSEGKADRPHYNYYAMLLTLLIFIIVFGNVLVCMAVSREKALQTTTNYLIVSLAVADLLVATLVMPWVVYLEVVGEWKFSRIHCDIFVTLDVMMCTASILNLCAISIDRYTAVAMPMLYNTRYSSKRRVTVMIAIVWVLSFTISCPLLFGLNNTDQNECIIANPAFVVYSSIVSFYVPFIVTLLVYIKIYIVLRKRRKRVNTKRSSRAFRANLKTPLKGNCTHPEDMKLCTVIMKSNGSFPVNRRRMDAARRAQELEMEMLSSTSPPERTRYSPIPPSHHQLTLPDPSHHGLHSNPDSPAKPEKNGHAKIVNPRIAKFFEIQTMPNGKTRTSLKTMSRRKLSQQKEKKATQMLAIVLGVFIICWLPFFITHILNIHCDCNIPPVLYSAFTWLGYVNSAVNPIIYTTFNIEFRKAFMKILHC > n/a > P61168 P61169 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50210634&enzyme=Dopamine+Receptor+D2&column=ki&startPg=0&Increment=50&submit=Search > 107 > n/a > n/a > n/a > n/a > 17434731 > n/a > n/a > Serotonin Receptor 1A > Homo sapiens > MDVLSPGQGNNTTSPPAPFETGGNTTGISDVTVSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSDPDACTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVKKVEKTGADTRHGASPAPQPKKSVNGESGSRNWRLGVESKAGGALCANGAVRQGDDGAALEVIEVHRVGNSKEHLPLPSEAGPTPCAPASFERKNERNAEAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPFCESSCHMPTLLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFCRQ > n/a > P08908 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50210634&enzyme=Serotonin+Receptor+1A&column=ki&startPg=0&Increment=50&submit=Search > 13 > n/a > n/a > n/a > n/a > 17434731 > n/a > n/a > Serotonin Receptor 1B > Homo sapiens > MEEPGAQCAPPPPAGSETWVPQANLSSAPSQNCSAKDYIYQDSISLPWKVLLVMLLALITLATTLSNAFVIATVYRTRKLHTPANYLIASLAVTDLLVSILVMPISTMYTVTGRWTLGQVVCDFWLSSDITCCTASILHLCVIALDRYWAITDAVEYSAKRTPKRAAVMIALVWVFSISISLPPFFWRQAKAEEEVSECVVNTDHILYTVYSTVGAFYFPTLLLIALYGRIYVEARSRILKQTPNRTGKRLTRAQLITDSPGSTSSVTSINSRVPDVPSESGSPVYVNQVKVRVSDALLEKKKLMAARERKATKTLGIILGAFIVCWLPFFIISLVMPICKDACWFHLAIFDFFTWLGYLNSLINPIIYTMSNEDFKQAFHKLIRFKCTS > n/a > P28222 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50210634&enzyme=Serotonin+Receptor+1B&column=ki&startPg=0&Increment=50&submit=Search > >1000 > n/a > n/a > n/a > n/a > 17434731 > n/a > n/a > Serotonin Receptor 1D > Homo sapiens > MSPLNQSAEGLPQEASNRSLNATETSEAWDPRTLQALKISLAVVLSVITLATVLSNAFVLTTILLTRKLHTPANYLIGSLATTDLLVSILVMPISIAYTITHTWNFGQILCDIWLSSDITCCTASILHLCVIALDRYWAITDALEYSKRRTAGHAATMIAIVWAISICISIPPLFWRQAKAQEEMSDCLVNTSQISYTIYSTCGAFYIPSVLLIILYGRIYRAARNRILNPPSLYGKRFTTAHLITGSAGSSLCSLNSSLHEGHSHSAGSPLFFNHVKIKLADSALERKRISAARERKATKILGIILGAFIICWLPFFVVSLVLPICRDSCWIHPALFDFFTWLGYLNSLINPIIYTVFNEEFRQAFQKIVPFRKAS > n/a > P28221 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50210634&enzyme=Serotonin+Receptor+1D&column=ki&startPg=0&Increment=50&submit=Search > 67 > n/a > n/a > n/a > n/a > 17434731 > n/a > n/a > Serotonin Transporter (SERT) > Homo sapiens > METTPLNSQKQLSACEDGEDCQENGVLQKVVPTPGDKVESGQISNGYSAVPSPGAGDDTRHSIPATTTTLVAELHQGERETWGKKVDFLLSVIGYAVDLGNVWRFPYICYQNGGGAFLLPYTIMAIFGGIPLFYMELALGQYHRNGCISIWRKICPIFKGIGYAICIIAFYIASYYNTIMAWALYYLISSFTDQLPWTSCKNSWNTGNCTNYFSEDNITWTLHSTSPAEEFYTRHVLQIHRSKGLQDLGGISWQLALCIMLIFTVIYFSIWKGVKTSGKVVWVTATFPYIILSVLLVRGATLPGAWRGVLFYLKPNWQKLLETGVWIDAAAQIFFSLGPGFGVLLAFASYNKFNNNCYQDALVTSVVNCMTSFVSGFVIFTVLGYMAEMRNEDVSEVAKDAGPSLLFITYAEAIANMPASTFFAIIFFLMLITLGLDSTFAGLEGVITAVLDEFPHVWAKRRERFVLAVVITCFFGSLVTLTFGGAYVVKLLEEYATGPAVLTVALIEAVAVSWFYGITQFCRDVKEMLGFSPGWFWRICWVAISPLFLLFIICSFLMSPPQLRLFQYNYPYWSIILGYCIGTSSFICIPTYIAYRLIITPGTFKERIIKSITPETPTEIPCGDIRLNAV > n/a > P31645 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50210634&enzyme=Serotonin+Transporter+%28SERT%29&column=ki&startPg=0&Increment=50&submit=Search > 8.8 > n/a > n/a > n/a > n/a > 17434731 > n/a > n/a $$$$ Wcorina 01220710483D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 63 67 0 1 0 999 V2000 0.0171 1.4168 -0.0824 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0081 0.0744 -0.1035 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2874 -0.7234 -0.0719 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3129 2.1423 -0.0463 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2550 2.1686 -0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3134 1.5716 -0.1357 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2418 3.5161 -0.0797 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3913 1.4611 -0.3815 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3659 0.0137 -0.8645 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7734 -0.4756 -0.4518 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6076 0.6778 -0.7155 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8464 1.8377 -0.3251 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2067 -1.6649 -1.3114 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5439 -2.2039 -0.7993 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9599 -3.3458 -1.6246 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0674 -2.9619 -3.0391 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5783 -4.1543 -3.8511 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6578 -5.2876 -3.6845 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5503 -5.6715 -2.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0393 -4.4791 -1.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0524 -6.3708 -4.4673 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5004 -7.5313 -3.8728 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8976 -8.6194 -4.6446 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8552 -8.5688 -6.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9912 -6.2909 -5.8752 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4041 -7.4036 -6.6504 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3518 -7.3272 -8.0502 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9022 -6.1631 -8.6527 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5007 -5.0648 -7.8714 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5346 -5.1266 -6.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0451 -1.7932 -3.1779 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8466 -6.0776 -10.0811 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8024 -6.0098 -11.2142 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9373 -0.4462 -0.1437 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6145 -0.8451 0.9607 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1155 -1.7036 -0.5167 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3693 3.1818 0.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3972 3.9925 -0.0521 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0768 4.0096 -0.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2083 -0.0568 -1.9407 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7967 -0.7346 0.6067 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0428 2.6588 -1.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1143 2.1320 0.6897 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4523 -2.4495 -1.2527 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3170 -1.3436 -2.3471 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2983 -1.4193 -0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4336 -2.5252 0.2364 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0872 -2.6624 -3.4101 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6313 -3.8807 -4.9049 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5702 -4.4365 -3.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8537 -6.5041 -2.1711 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5305 -5.9710 -1.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9864 -4.7527 -0.4042 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0475 -4.1969 -1.8111 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5440 -7.5967 -2.7957 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2454 -9.5180 -4.1569 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1681 -9.4228 -6.5866 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6597 -8.1686 -8.6533 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1530 -4.1643 -8.3558 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2228 -4.2753 -5.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1261 -1.5100 -4.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6810 -0.9442 -2.5995 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0248 -2.0930 -2.8058 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 3 9 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 8 2 0 0 0 0 4 37 1 0 0 0 0 5 7 1 0 0 0 0 5 6 2 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 15 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 20 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 31 1 0 0 0 0 16 48 1 0 0 0 0 17 18 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 21 22 2 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 55 1 0 0 0 0 23 24 2 0 0 0 0 23 56 1 0 0 0 0 24 26 1 0 0 0 0 24 57 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 58 1 0 0 0 0 28 29 2 0 0 0 0 28 32 1 0 0 0 0 29 30 1 0 0 0 0 29 59 1 0 0 0 0 30 60 1 0 0 0 0 31 61 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 32 33 3 0 0 0 0 M END > www.bindingDB.org > 50210640 > http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50210640 > n/a > CHEBI:495941 > Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor > Rattus norvegicus > MNPDLDTGHNTSAPAHWGELKDDNFTGPNQTSSNSTLPQLDVTRAISVGLVLGAFILFAIVGNILVILSVACNRHLRTPTNYFIVNLAIADLLLSFTVLPFSATLEVLGYWVLGRIFCDIWAAVDVLCCTASILSLCAISIDRYIGVRYSLQYPTLVTRRKAILALLSVWVLSTVISIGPLLGWKEPAPNDDKECGVTEEPFYALFSSLGSFYIPLAVILVMYCRVYIVAKRTTKNLEAGVMKEMSNSKELTLRIHSKNFHEDTLSSTKAKGHNPRSSIAVKLFKFSREKKAAKTLGIVVGMFILCWLPFFIALPLGSLFSTLKPPDAVFKVVFWLGYFNSCLNPIIYPCSSKEFKRAFMRILGCQCRGGRRRRRRRRLGACAYTYRPWTRGGSLERSQSRKDSLDDSGSCMSGTQRTLPSASPSPGYLGRGTQPPVELCAFPEWKPGALLSLPEPPGRRGRLDSGPLFTFKLLGDPESPGTEGDTSNGGCDTTTDLANGQPGFKSNMPLAPGHF > n/a > P15823 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50210640&enzyme=Alpha-1+Adrenergic+Receptor%2F+adrenergic+receptor%2F+adrenergic+receptor&column=ki&startPg=0&Increment=50&submit=Search > 338 > n/a > n/a > n/a > n/a > 17434731 > n/a > n/a > Dopamine Receptor D2 > Rattus norvegicus > MDPLNLSWYDDDLERQNWSRPFNGSEGKADRPHYNYYAMLLTLLIFIIVFGNVLVCMAVSREKALQTTTNYLIVSLAVADLLVATLVMPWVVYLEVVGEWKFSRIHCDIFVTLDVMMCTASILNLCAISIDRYTAVAMPMLYNTRYSSKRRVTVMIAIVWVLSFTISCPLLFGLNNTDQNECIIANPAFVVYSSIVSFYVPFIVTLLVYIKIYIVLRKRRKRVNTKRSSRAFRANLKTPLKGNCTHPEDMKLCTVIMKSNGSFPVNRRRMDAARRAQELEMEMLSSTSPPERTRYSPIPPSHHQLTLPDPSHHGLHSNPDSPAKPEKNGHAKIVNPRIAKFFEIQTMPNGKTRTSLKTMSRRKLSQQKEKKATQMLAIVLGVFIICWLPFFITHILNIHCDCNIPPVLYSAFTWLGYVNSAVNPIIYTTFNIEFRKAFMKILHC > n/a > P61168 P61169 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50210640&enzyme=Dopamine+Receptor+D2&column=ki&startPg=0&Increment=50&submit=Search > 346 > n/a > n/a > n/a > n/a > 17434731 > n/a > n/a > Serotonin Receptor 1B > Homo sapiens > MEEPGAQCAPPPPAGSETWVPQANLSSAPSQNCSAKDYIYQDSISLPWKVLLVMLLALITLATTLSNAFVIATVYRTRKLHTPANYLIASLAVTDLLVSILVMPISTMYTVTGRWTLGQVVCDFWLSSDITCCTASILHLCVIALDRYWAITDAVEYSAKRTPKRAAVMIALVWVFSISISLPPFFWRQAKAEEEVSECVVNTDHILYTVYSTVGAFYFPTLLLIALYGRIYVEARSRILKQTPNRTGKRLTRAQLITDSPGSTSSVTSINSRVPDVPSESGSPVYVNQVKVRVSDALLEKKKLMAARERKATKTLGIILGAFIVCWLPFFIISLVMPICKDACWFHLAIFDFFTWLGYLNSLINPIIYTMSNEDFKQAFHKLIRFKCTS > n/a > P28222 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50210640&enzyme=Serotonin+Receptor+1B&column=ki&startPg=0&Increment=50&submit=Search > 88 > n/a > n/a > n/a > n/a > 17434731 > n/a > n/a > Serotonin Receptor 1D > Homo sapiens > MSPLNQSAEGLPQEASNRSLNATETSEAWDPRTLQALKISLAVVLSVITLATVLSNAFVLTTILLTRKLHTPANYLIGSLATTDLLVSILVMPISIAYTITHTWNFGQILCDIWLSSDITCCTASILHLCVIALDRYWAITDALEYSKRRTAGHAATMIAIVWAISICISIPPLFWRQAKAQEEMSDCLVNTSQISYTIYSTCGAFYIPSVLLIILYGRIYRAARNRILNPPSLYGKRFTTAHLITGSAGSSLCSLNSSLHEGHSHSAGSPLFFNHVKIKLADSALERKRISAARERKATKILGIILGAFIICWLPFFVVSLVLPICRDSCWIHPALFDFFTWLGYLNSLINPIIYTVFNEEFRQAFQKIVPFRKAS > n/a > P28221 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50210640&enzyme=Serotonin+Receptor+1D&column=ki&startPg=0&Increment=50&submit=Search > 1.8 > n/a > n/a > n/a > n/a > 17434731 > n/a > n/a > Serotonin Transporter (SERT) > Homo sapiens > METTPLNSQKQLSACEDGEDCQENGVLQKVVPTPGDKVESGQISNGYSAVPSPGAGDDTRHSIPATTTTLVAELHQGERETWGKKVDFLLSVIGYAVDLGNVWRFPYICYQNGGGAFLLPYTIMAIFGGIPLFYMELALGQYHRNGCISIWRKICPIFKGIGYAICIIAFYIASYYNTIMAWALYYLISSFTDQLPWTSCKNSWNTGNCTNYFSEDNITWTLHSTSPAEEFYTRHVLQIHRSKGLQDLGGISWQLALCIMLIFTVIYFSIWKGVKTSGKVVWVTATFPYIILSVLLVRGATLPGAWRGVLFYLKPNWQKLLETGVWIDAAAQIFFSLGPGFGVLLAFASYNKFNNNCYQDALVTSVVNCMTSFVSGFVIFTVLGYMAEMRNEDVSEVAKDAGPSLLFITYAEAIANMPASTFFAIIFFLMLITLGLDSTFAGLEGVITAVLDEFPHVWAKRRERFVLAVVITCFFGSLVTLTFGGAYVVKLLEEYATGPAVLTVALIEAVAVSWFYGITQFCRDVKEMLGFSPGWFWRICWVAISPLFLLFIICSFLMSPPQLRLFQYNYPYWSIILGYCIGTSSFICIPTYIAYRLIITPGTFKERIIKSITPETPTEIPCGDIRLNAV > n/a > P31645 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50210640&enzyme=Serotonin+Transporter+%28SERT%29&column=ki&startPg=0&Increment=50&submit=Search > 1.3 > n/a > n/a > n/a > n/a > 17434731 > n/a > n/a $$$$ Wcorina 01220710483D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 58 60 0 0 0 0 0 0 0 0999 V2000 -0.0167 1.3814 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2232 2.0563 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4128 1.3518 0.0208 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4011 -0.0305 0.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1953 -0.7131 0.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1881 -0.6695 -0.0072 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7478 -0.9800 -1.2848 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1820 -2.0730 -0.0041 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4489 -2.7341 -0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2336 -4.2489 -0.0119 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6107 -4.6390 1.1785 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2780 2.1526 0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0570 3.4485 -0.5589 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7942 2.2979 1.4344 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1097 3.0814 1.4274 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5895 3.2760 2.8675 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5687 4.0055 3.6305 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3106 3.2505 3.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7628 3.0550 2.2755 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0522 4.3318 4.9787 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0741 5.2969 5.6516 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5702 5.6317 7.0347 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4087 6.7142 7.2245 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8639 7.0225 8.4924 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4797 6.2466 9.5729 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6398 5.1626 9.3816 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1817 4.8594 8.1135 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9244 6.5467 10.8128 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.2365 3.1362 0.0253 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3533 1.8827 0.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3318 -0.5784 0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6909 -1.5095 -1.1493 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0543 -1.6098 -1.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9253 -0.0575 -1.8377 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0047 -2.4518 0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0127 -2.4416 -0.8879 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1965 -4.7521 -0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6028 -4.5208 -0.8581 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0152 1.6185 -0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4107 3.9811 -0.0754 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9609 1.3098 1.8634 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8609 2.5263 0.8655 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9515 4.0542 0.9619 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7608 2.3030 3.3279 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5187 3.8459 2.8669 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4925 2.2776 4.1476 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5846 3.8018 4.2885 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5676 4.0274 1.8233 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1628 2.4811 2.3195 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1258 3.4186 5.5692 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0343 4.7996 4.9091 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0006 6.2101 5.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0920 4.8291 5.7212 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7086 7.3191 6.3815 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5193 7.8680 8.6404 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3395 4.5566 10.2237 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5265 4.0139 7.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 13 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 3 4 2 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 9 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 13 15 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 22 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 23 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 24 2 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 55 1 0 0 0 0 25 26 2 0 0 0 0 25 56 1 0 0 0 0 26 27 1 0 0 0 0 26 29 1 0 0 0 0 27 28 2 0 0 0 0 27 57 1 0 0 0 0 28 58 1 0 0 0 0 M END > www.bindingDB.org > 50232152 > http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50232152 > n/a > CHEBI:537622 > Alpha-1b adrenergic receptor > Homo sapiens > MNPDLDTGHNTSAPAHWGELKNANFTGPNQTSSNSTLPQLDITRAISVGLVLGAFILFAIVGNILVILSVACNRHLRTPTNYFIVNLAMADLLLSFTVLPFSAALEVLGYWVLGRIFCDIWAAVDVLCCTASILSLCAISIDRYIGVRYSLQYPTLVTRRKAILALLSVWVLSTVISIGPLLGWKEPAPNDDKECGVTEEPFYALFSSLGSFYIPLAVILVMYCRVYIVAKRTTKNLEAGVMKEMSNSKELTLRIHSKNFHEDTLSSTKAKGHNPRSSIAVKLFKFSREKKAAKTLGIVVGMFILCWLPFFIALPLGSLFSTLKPPDAVFKVVFWLGYFNSCLNPIIYPCSSKEFKRAFVRILGCQCRGRGRRRRRRRRRLGGCAYTYRPWTRGGSLERSQSRKDSLDDSGSCLSGSQRTLPSASPSPGYLGRGAPPPVELCAFPEWKAPGALLSLPAPEPPGRRGRHDSGPLFTFKLLTEPESPGTDGGASNGGCEAAADVANGQPGFKSNMPLAPGQF > n/a > P35368 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50232152&enzyme=Alpha-1b+adrenergic+receptor&column=ki&startPg=0&Increment=50&submit=Search > 325 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Alpha-2a adrenergic receptor > Homo sapiens > MGSLQPDAGNASWNGTEAPGGGARATPYSLQVTLTLVCLAGLLMLLTVFGNVLVIIAVFTSRALKAPQNLFLVSLASADILVATLVIPFSLANEVMGYWYFGKAWCEIYLALDVLFCTSSIVHLCAISLDRYWSITQAIEYNLKRTPRRIKAIIITVWVISAVISFPPLISIEKKGGGGGPQPAEPRCEINDQKWYVISSCIGSFFAPCLIMILVYVRIYQIAKRRTRVPPSRRGPDAVAAPPGGTERRPNGLGPERSAGPGGAEAEPLPTQLNGAPGEPAPAGPRDTDALDLEESSSSDHAERPPGPRRPERGPRGKGKARASQVKPGDSLPRRGPGATGIGTPAAGPGEERVGAAKASRWRGRQNREKRFTFVLAVVIGVFVVCWFPFFFTYTLTAVGCSVPRTLFKFFFWFGYCNSSLNPVIYTIFNHDFRRAFKKILCRGDRKRIV > n/a > P08913 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50232152&enzyme=Alpha-2a+adrenergic+receptor&column=ki&startPg=0&Increment=50&submit=Search > >10000 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Alpha-2c adrenergic receptor > Homo sapiens > MASPALAAALAVAAAAGPNASGAGERGSGGVANASGASWGPPRGQYSAGAVAGLAAVVGFLIVFTVVGNVLVVIAVLTSRALRAPQNLFLVSLASADILVATLVMPFSLANELMAYWYFGQVWCGVYLALDVLFCTSSIVHLCAISLDRYWSVTQAVEYNLKRTPRRVKATIVAVWLISAVISFPPLVSLYRQPDGAAYPQCGLNDETWYILSSCIGSFFAPCLIMGLVYARIYRVAKLRTRTLSEKRAPVGPDGASPTTENGLGAAAGAGENGHCAPPPADVEPDESSAAAERRRRRGALRRGGRRRAGAEGGAGGADGQGAGPGAAESGALTASRSPGPGGRLSRASSRSVEFFLSRRRRARSSVCRRKVAQAREKRFTFVLAVVMGVFVLCWFPFFFSYSLYGICREACQVPGPLFKFFFWIGYCNSSLNPVIYTVFNQDFRRSFKHILFRRRRRGFRQ > n/a > P18825 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50232152&enzyme=Alpha-2c+adrenergic+receptor&column=ki&startPg=0&Increment=50&submit=Search > 148 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Beta-3 Adrenergic Receptor > Homo sapiens > MAPWPHENSSLAPWPDLPTLAPNTANTSGLPGVPWEAALAGALLALAVLATVGGNLLVIVAIAWTPRLQTMTNVFVTSLAAADLVMGLLVVPPAATLALTGHWPLGATGCELWTSVDVLCVTASIETLCALAVDRYLAVTNPLRYGALVTKRCARTAVVLVWVVSAAVSFAPIMSQWWRVGADAEAQRCHSNPRCCAFASNMPYVLLSSSVSFYLPLLVMLFVYARVFVVATRQLRLLRGELGRFPPEESPPAPSRSLAPAPVGTCAPPEGVPACGRRPARLLPLREHRALCTLGLIMGTFTLCWLPFFLANVLRALGGPSLVPGPAFLALNWLGYANSAFNPLIYCRSPDFRSAFRRLLCRCGRRLPPEPCAAARPALFPSGVPAARSSPAQPRLCQRLDGASWGVS > n/a > P13945 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50232152&enzyme=Beta-3+Adrenergic+Receptor&column=ki&startPg=0&Increment=50&submit=Search > >10000 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Dopamine D1 receptor > Homo sapiens > MRTLNTSAMDGTGLVVERDFSVRILTACFLSLLILSTLLGNTLVCAAVIRFRHLRSKVTNFFVISLAVSDLLVAVLVMPWKAVAEIAGFWPFGSFCNIWVAFDIMCSTASILNLCVISVDRYWAISSPFRYERKMTPKAAFILISVAWTLSVLISFIPVQLSWHKAKPTSPSDGNATSLAETIDNCDSSLSRTYAISSSVISFYIPVAIMIVTYTRIYRIAQKQIRRIAALERAAVHAKNCQTTTGNGKPVECSQPESSFKMSFKRETKVLKTLSVIMGVFVCCWLPFFILNCILPFCGSGETQPFCIDSNTFDVFVWFGWANSSLNPIIYAFNADFRKAFSTLLGCYRLCPATNNAIETVSINNNGAAMFSSHHEPRGSISKECNLVYLIPHAVGSSEDLKKEEAAGIARPLEKLSPALSVILDYDTDVSLEKIQPITQNGQHPT > n/a > P21728 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50232152&enzyme=Dopamine+D1+receptor&column=ki&startPg=0&Increment=50&submit=Search > 899 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Dopamine D4 receptor > Homo sapiens > MGNRSTADADGLLAGRGPAAGASAGASAGLAGQGAAALVGGVLLIGAVLAGNSLVCVSVATERALQTPTNSFIVSLAAADLLLALLVLPLFVYSEVQGGAWLLSPRLCDALMAMDVMLCTASIFNLCAISVDRFVAVAVPLRYNRQGGSRRQLLLIGATWLLSAAVAAPVLCGLNDVRGRDPAVCRLEDRDYVVYSSVCSFFLPCPLMLLLYWATFRGLQRWEVARRAKLHGRAPRRPSGPGPPSPTPPAPRLPQDPCGPDCAPPAPGLPRGPCGPDCAPAAPGLPPDPCGPDCAPPAPGLPQDPCGPDCAPPAPGLPRGPCGPDCAPPAPGLPQDPCGPDCAPPAPGLPPDPCGSNCAPPDAVRAAALPPQTPPQTRRRRRAKITGRERKAMRVLPVVVGAFLLCWTPFFVVHITQALCPACSVPPRLVSAVTWLGYVNSALNPVIYTVFNAEFRNVFRKALRACC > n/a > P21917 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50232152&enzyme=Dopamine+D4+receptor&column=ki&startPg=0&Increment=50&submit=Search > 544 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Dopamine Receptor D2 > Homo sapiens > MDPLNLSWYDDDLERQNWSRPFNGSDGKADRPHYNYYATLLTLLIAVIVFGNVLVCMAVSREKALQTTTNYLIVSLAVADLLVATLVMPWVVYLEVVGEWKFSRIHCDIFVTLDVMMCTASILNLCAISIDRYTAVAMPMLYNTRYSSKRRVTVMISIVWVLSFTISCPLLFGLNNADQNECIIANPAFVVYSSIVSFYVPFIVTLLVYIKIYIVLRRRRKRVNTKRSSRAFRAHLRAPLKGNCTHPEDMKLCTVIMKSNGSFPVNRRRVEAARRAQELEMEMLSSTSPPERTRYSPIPPSHHQLTLPDPSHHGLHSTPDSPAKPEKNGHAKDHPKIAKIFEIQTMPNGKTRTSLKTMSRRKLSQQKEKKATQMLAIVLGVFIICWLPFFITHILNIHCDCNIPPVLYSAFTWLGYVNSAVNPIIYTTFNIEFRKAFLKILHC > n/a > P14416 P60026 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50232152&enzyme=Dopamine+Receptor+D2&column=ki&startPg=0&Increment=50&submit=Search > >10000 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Dopamine Transporter (DAT) > Homo sapiens > MSKSKCSVGLMSSVVAPAKEPNAVGPKEVELILVKEQNGVQLTSSTLTNPRQSPVEAQDRETWGKKIDFLLSVIGFAVDLANVWRFPYLCYKNGGGAFLVPYLLFMVIAGMPLFYMELALGQFNREGAAGVWKICPILKGVGFTVILISLYVGFFYNVIIAWALHYLFSSFTTELPWIHCNNSWNSPNCSDAHPGDSSGDSSGLNDTFGTTPAAEYFERGVLHLHQSHGIDDLGPPRWQLTACLVLVIVLLYFSLWKGVKTSGKVVWITATMPYVVLTALLLRGVTLPGAIDGIRAYLSVDFYRLCEASVWIDAATQVCFSLGVGFGVLIAFSSYNKFTNNCYRDAIVTTSINSLTSFSSGFVVFSFLGYMAQKHSVPIGDVAKDGPGLIFIIYPEAIATLPLSSAWAVVFFIMLLTLGIDSAMGGMESVITGLIDEFQLLHRHRELFTLFIVLATFLLSLFCVTNGGIYVFTLLDHFAAGTSILFGVLIEAIGVAWFYGVGQFSDDIQQMTGQRPSLYWRLCWKLVSPCFLLFVVVVSIVTFRPPHYGAYIFPDWANALGWVIATSSMAMVPIYAAYKFCSLPGSFREKLAYAIAPEKDRELVDRGEVRQFTLRHWLKV > n/a > Q01959 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50232152&enzyme=Dopamine+Transporter+%28DAT%29&column=ki&startPg=0&Increment=50&submit=Search > >10000 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Histamine H1 Receptor > Homo sapiens > MSLPNSSCLLEDKMCEGNKTTMASPQLMPLVVVLSTICLVTVGLNLLVLYAVRSERKLHTVGNLYIVSLSVADLIVGAVVMPMNILYLLMSKWSLGRPLCLFWLSMDYVASTASIFSVFILCIDRYRSVQQPLRYLKYRTKTRASATILGAWFLSFLWVIPILGWNHFMQQTSVRREDKCETDFYDVTWFKVMTAIINFYLPTLLMLWFYAKIYKAVRQHCQHRELINRSLPSFSEIKLRPENPKGDAKKPGKESPWEVLKRKPKDAGGGSVLKSPSQTPKEMKSPVVFSQEDDREVDKLYCFPLDIVHMQAAAEGSSRDYVAVNRSHGQLKTDEQGLNTHGASEISEDQMLGDSQSFSRTDSDTTTETAPGKGKLRSGSNTGLDYIKFTWKRLRSHSRQYVSGLHMNRERKAAKQLGFIMAAFILCWIPYFIFFMVIAFCKNCCNEHLHMFTIWLGYINSTLNPLIYPLCNENFKKTFKRILHIRS > n/a > P35367 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50232152&enzyme=Histamine+H1+Receptor&column=ki&startPg=0&Increment=50&submit=Search > 374 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Histamine H2 Receptor > Homo sapiens > MAPNGTASSFCLDSTACKITITVVLAVLILITVAGNVVVCLAVGLNRRLRNLTNCFIVSLAITDLLLGLLVLPFSAIYQLSCKWSFGKVFCNIYTSLDVMLCTASILNLFMISLDRYCAVMDPLRYPVLVTPVRVAISLVLIWVISITLSFLSIHLGWNSRNETSKGNHTTSKCKVQVNEVYGLVDGLVTFYLPLLIMCITYYRIFKVARDQAKRINHISSWKAATIREHKATVTLAAVMGAFIICWFPYFTAFVYRGLRGDDAINEVLEAIVLWLGYANSALNPILYAALNRDFRTGYQQLFCCRLANRNSHKTSLRSNASQLSRTQSREPRQQEEKPLKLQVWSGTEVTAPQGATDR > n/a > P25021 P61752 Q76MS7 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50232152&enzyme=Histamine+H2+Receptor&column=ki&startPg=0&Increment=50&submit=Search > 3178 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Histamine H3 Receptor > Homo sapiens > MERAPPDGPLNASGALAGEAAAAGGARGFSAAWTAVLAALMALLIVATVLGNALVMLAFVADSSLRTQNNFFLLNLAISDFLVGAFCIPLYVPYVLTGRWTFGRGLCKLWLVVDYLLCTSSAFNIVLISYDRFLSVTRAVSYRAQQGDTRRAVRKMLLVWVLAFLLYGPAILSWEYLSGGSSIPEGHCYAEFFYNWYFLITASTLEFFTPFLSVTFFNLSIYLNIQRRTRLRLDGAREAAGPEPPPEAQPSPPPPPGCWGCWQKGHGEAMPLHRYGVGEAAVGAEAGEATLGGGGGGGSVASPTSSSGSSSRGTERPRSLKRGSKPSASSASLEKRMKMVSQSFTQRFRLSRDRKVAKSLAVIVSIFGLCWAPYTLLMIIRAACHGHCVPDYWYETSFWLLWANSAVNPVLYPLCHHSFRRAFTKLLCPQKLKIQPHSSLEHCWK > n/a > Q9Y5N1 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50232152&enzyme=Histamine+H3+Receptor&column=ki&startPg=0&Increment=50&submit=Search > >10000 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Mu Opioid Receptor > Homo sapiens > MDSSAAPTNASNCTDALAYSSCSPAPSPGSWVNLSHLDGNLSDPCGPNRTDLGGRDSLCPPTGSPSMITAITIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDFRTPRNAKIINVCNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPVLIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALVTIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSNIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETAPLP > n/a > P35372 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50232152&enzyme=Mu+Opioid+Receptor&column=ki&startPg=0&Increment=50&submit=Search > >10000 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Serotonin 3a (5-HT3a) receptor > Homo sapiens > MLLWVQQALLALLLPTLLAQGEARRSRNTTRPALLRLSDYLLTNYRKGVRPVRDWRKPTTVSIDVIVYAILNVDEKNQVLTTYIWYRQYWTDEFLQWNPEDFDNITKLSIPTDSIWVPDILINEFVDVGKSPNIPYVYIRHQGEVQNYKPLQVVTACSLDIYNFPFDVQNCSLTFTSWLHTIQDINISLWRLPEKVKSDRSVFMNQGEWELLGVLPYFREFSMESSNYYAEMKFYVVIRRRPLFYVVSLLLPSIFLMVMDIVGFYLPPNSGERVSFKITLLLGYSVFLIIVSDTLPATAIGTPLIGVYFVVCMALLVISLAETIFIVRLVHKQDLQQPVPAWLRHLVLERIAWLLCLREQSTSQRPPATSQATKTDDCSAMGNHCSHMGGPQDFEKSPRDRCSPPPPPREASLAVCGLLQELSSIRQFLEKRDEIREVARDWLRVGSVLDKLLFHIYLLAVLAYSITLVMLWSIWQYA > n/a > P46098 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50232152&enzyme=Serotonin+3a+%285-HT3a%29+receptor&column=ki&startPg=0&Increment=50&submit=Search > >10000 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Serotonin 5a (5-HT5a) receptor > Homo sapiens > MDLPVNLTSFSLSTPSPLETNHSLGKDDLRPSSPLLSVFGVLILTLLGFLVAATFAWNLLVLATILRVRTFHRVPHNLVASMAVSDVLVAALVMPLSLVHELSGRRWQLGRRLCQLWIACDVLCCTASIWNVTAIALDRYWSITRHMEYTLRTRKCVSNVMIALTWALSAVISLAPLLFGWGETYSEGSEECQVSREPSYAVFSTVGAFYLPLCVVLFVYWKIYKAAKFRVGSRKTNSVSPISEAVEVKDSAKQPQMVFTVRHATVTFQPEGDTWREQKEQRAALMVGILIGVFVLCWIPFFLTELISPLCSCDIPAIWKSIFLWLGYSNSFFNPLIYTAFNKNYNSAFKNFFSRQH > n/a > P47898 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50232152&enzyme=Serotonin+5a+%285-HT5a%29+receptor&column=ki&startPg=0&Increment=50&submit=Search > >10000 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Serotonin Receptor 1A > Homo sapiens > MDVLSPGQGNNTTSPPAPFETGGNTTGISDVTVSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSDPDACTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVKKVEKTGADTRHGASPAPQPKKSVNGESGSRNWRLGVESKAGGALCANGAVRQGDDGAALEVIEVHRVGNSKEHLPLPSEAGPTPCAPASFERKNERNAEAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPFCESSCHMPTLLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFCRQ > n/a > P08908 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50232152&enzyme=Serotonin+Receptor+1A&column=ki&startPg=0&Increment=50&submit=Search > >10000 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Serotonin Receptor 1B > Homo sapiens > MEEPGAQCAPPPPAGSETWVPQANLSSAPSQNCSAKDYIYQDSISLPWKVLLVMLLALITLATTLSNAFVIATVYRTRKLHTPANYLIASLAVTDLLVSILVMPISTMYTVTGRWTLGQVVCDFWLSSDITCCTASILHLCVIALDRYWAITDAVEYSAKRTPKRAAVMIALVWVFSISISLPPFFWRQAKAEEEVSECVVNTDHILYTVYSTVGAFYFPTLLLIALYGRIYVEARSRILKQTPNRTGKRLTRAQLITDSPGSTSSVTSINSRVPDVPSESGSPVYVNQVKVRVSDALLEKKKLMAARERKATKTLGIILGAFIVCWLPFFIISLVMPICKDACWFHLAIFDFFTWLGYLNSLINPIIYTMSNEDFKQAFHKLIRFKCTS > n/a > P28222 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50232152&enzyme=Serotonin+Receptor+1B&column=ki&startPg=0&Increment=50&submit=Search > 1846 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Serotonin Receptor 1D > Homo sapiens > MSPLNQSAEGLPQEASNRSLNATETSEAWDPRTLQALKISLAVVLSVITLATVLSNAFVLTTILLTRKLHTPANYLIGSLATTDLLVSILVMPISIAYTITHTWNFGQILCDIWLSSDITCCTASILHLCVIALDRYWAITDALEYSKRRTAGHAATMIAIVWAISICISIPPLFWRQAKAQEEMSDCLVNTSQISYTIYSTCGAFYIPSVLLIILYGRIYRAARNRILNPPSLYGKRFTTAHLITGSAGSSLCSLNSSLHEGHSHSAGSPLFFNHVKIKLADSALERKRISAARERKATKILGIILGAFIICWLPFFVVSLVLPICRDSCWIHPALFDFFTWLGYLNSLINPIIYTVFNEEFRQAFQKIVPFRKAS > n/a > P28221 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50232152&enzyme=Serotonin+Receptor+1D&column=ki&startPg=0&Increment=50&submit=Search > 706 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Serotonin Receptor 1E > Homo sapiens > MNITNCTTEASMAIRPKTITEKMLICMTLVVITTLTTLLNLAVIMAIGTTKKLHQPANYLICSLAVTDLLVAVLVMPLSIIYIVMDRWKLGYFLCEVWLSVDMTCCTCSILHLCVIALDRYWAITNAIEYARKRTAKRAALMILTVWTISIFISMPPLFWRSHRRLSPPPSQCTIQHDHVIYTIYSTLGAFYIPLTLILILYYRIYHAAKSLYQKRGSSRHLSNRSTDSQNSFASCKLTQTFCVSDFSTSDPTTEFEKFHASIRIPPFDNDLDHPGERQQISSTRERKAARILGLILGAFILSWLPFFIKELIVGLSIYTVSSEVADFLTWLGYVNSLINPLLYTSFNEDFKLAFKKLIRCREHT > n/a > P28566 Q9N2B6 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50232152&enzyme=Serotonin+Receptor+1E&column=ki&startPg=0&Increment=50&submit=Search > >10000 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Serotonin Receptor 2A > Rattus norvegicus > MEILCEDNISLSSIPNSLMQLGDGPRLYHNDFNSRDANTSEASNWTIDAENRTNLSCEGYLPPTCLSILHLQEKNWSALLTTVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAIWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHSRFNSRTKAFLKIIAVWTISVGISMPIPVFGLQDDSKVFKEGSCLLADDNFVLIGSFVAFFIPLTIMVITYFLTIKSLQKEATLCVSDLSTRAKLASFSFLPQSSLSSEKLFQRSIHREPGSYAGRRTMQSISNEQKACKVLGIVFFLFVVMWCPFFITNIMAVICKESCNENVIGALLNVFVWIGYLSSAVNPLVYTLFNKTYRSAFSRYIQCQYKENRKPLQLILVNTIPALAYKSSQLQVGQKKNSQEDAEQTVDDCSMVTLGKQQSEENCTDNIETVNEKVSCV > n/a > P14842 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50232152&enzyme=Serotonin+Receptor+2A&column=ki&startPg=0&Increment=50&submit=Search > 9.02 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Serotonin Receptor 2B > Homo sapiens > MALSYRVSELQSTIPEHILQSTFVHVISSNWSGLQTESIPEEMKQIVEEQGNKLHWAALLILMVIIPTIGGNTLVILAVSLEKKLQYATNYFLMSLAVADLLVGLFVMPIALLTIMFEAMWPLPLVLCPAWLFLDVLFSTASIMHLCAISVDRYIAIKKPIQANQYNSRATAFIKITVVWLISIGIAIPVPIKGIETDVDNPNNITCVLTKERFGDFMLFGSLAAFFTPLAIMIVTYFLTIHALQKKAYLVKNKPPQRLTWLTVSTVFQRDETPCSSPEKVAMLDGSRKDKALPNSGDETLMRRTSTIGKKSVQTISNEQRASKVLGIVFFLFLLMWCPFFITNITLVLCDSCNQTTLQMLLEIFVWIGYVSSGVNPLVYTLFNKTFRDAFGRYITCNYRATKSVKTLRKRSSKIYFRNPMAENSKFFKKHGIRNGINPAMYQSPMRLRSSTIQSSSIILLDTLLLTENEGDKTEEQVSYV > n/a > Q29005 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50232152&enzyme=Serotonin+Receptor+2B&column=ki&startPg=0&Increment=50&submit=Search > 299 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Serotonin Receptor 2C > Homo sapiens > MVNLRNAVHSFLVHLIGLLVWQCDISVSPVAAIVTDIFNTSDGGRFKFPDGVQNWPALSIVIIIIMTIGGNILVIMAVSMEKKLHNATNYFLMSLAIADMLVGLLVMPLSLLAILYDYVWPLPRYLCPVWISLDVLFSTASIMHLCAISLDRYVAIRNPIEHSRFNSRTKAIMKIAIVWAISIGVSVPIPVIGLRDEEKVFVNNTTCVLNDPNFVLIGSFVAFFIPLTIMVITYCLTIYVLRRQALMLLHGHTEEPPGLSLDFLKCCKRNTAEEENSANPNQDQNARRRKKKERRPRGTMQAINNERKASKVLGIVFFVFLIMWCPFFITNILSVLCEKSCNQKLMEKLLNVFVWIGYVCSGINPLVYTLFNKIYRRAFSNYLRCNYKVEKKPPVRQIPRVAATALSGRELNVNIYRHTNEPVIEKASDNEPGIEMQVENLELPVNPSSVVSERISSV > n/a > P28335 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50232152&enzyme=Serotonin+Receptor+2C&column=ki&startPg=0&Increment=50&submit=Search > 71 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Serotonin Receptor 6 > Homo sapiens > MVPEPGPTANSTPAWGAGPPSAPGGSGWVAAALCVVIALTAAANSLLIALICTQPALRNTSNFFLVSLFTSDLMVGLVVMPPAMLNALYGRWVLARGLCLLWTAFDVMCCSASILNLCLISLDRYLLILSPLRYKLRMTPLRALALVLGAWSLAALASFLPLLLGWHELGHARPPVPGQCRLLASLPFVLVASGLTFFLPSGAICFTYCRILLAARKQAVQVASLTTGMASQASETLQVPRTPRPGVESADSRRLATKHSRKALKASLTLGILLGMFFVTWLPFFVANIVQAVCDCISPGLFDVLTWLGYCNSTMNPIIYPLFMRDFKRALGRFLPCPRCPRERQASLASPSLRTSHSGPRPGLSLQQVLPLPLPPDSDSDSDAGSGGSSGLRLTAQLLLPGEATQDPPLPTRAAAAVNFFNIDPAEPELRPHPLGIPTN > n/a > n/a > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50232152&enzyme=Serotonin+Receptor+6&column=ki&startPg=0&Increment=50&submit=Search > 3890 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Serotonin Receptor 7 > Homo sapiens > MMDVNSSGRPDLYGHLRSFLLPEVGRGLPDLSPDGGADPVAGSWAPHLLSEVTASPAPTWDAPPDNASGCGEQINYGRVEKVVIGSILTLITLLTIAGNCLVVISVCFVKKLRQPSNYLIVSLALADLSVAVAVMPFVSVTDLIGGKWIFGHFFCNVFIAMDVMCCTASIMTLCVISIDRYLGITRPLTYPVRQNGKCMAKMILSVWLLSASITLPPLFGWAQNVNDDKVCLISQDFGYTIYSTAVAFYIPMSVMLFMYYQIYKAARKSAAKHKFPGFPRVEPDSVIALNGIVKLQKEVEECANLSRLLKHERKNISIFKREQKAATTLGIIVGAFTVCWLPFFLLSTARPFICGTSCSCIPLWVERTFLWLGYANSLINPFIYAFFNRDLRTTYRSLLQCQYRNINRKLSAAGMHEALKLAERPERPEFVLRACTRRVLLRPEKRPPVSVWVLQSPDHHNWLADKMLTTVEKKVMIHD > n/a > n/a > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50232152&enzyme=Serotonin+Receptor+7&column=ki&startPg=0&Increment=50&submit=Search > 116 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Serotonin Transporter (SERT) > Homo sapiens > METTPLNSQKQLSACEDGEDCQENGVLQKVVPTPGDKVESGQISNGYSAVPSPGAGDDTRHSIPATTTTLVAELHQGERETWGKKVDFLLSVIGYAVDLGNVWRFPYICYQNGGGAFLLPYTIMAIFGGIPLFYMELALGQYHRNGCISIWRKICPIFKGIGYAICIIAFYIASYYNTIMAWALYYLISSFTDQLPWTSCKNSWNTGNCTNYFSEDNITWTLHSTSPAEEFYTRHVLQIHRSKGLQDLGGISWQLALCIMLIFTVIYFSIWKGVKTSGKVVWVTATFPYIILSVLLVRGATLPGAWRGVLFYLKPNWQKLLETGVWIDAAAQIFFSLGPGFGVLLAFASYNKFNNNCYQDALVTSVVNCMTSFVSGFVIFTVLGYMAEMRNEDVSEVAKDAGPSLLFITYAEAIANMPASTFFAIIFFLMLITLGLDSTFAGLEGVITAVLDEFPHVWAKRRERFVLAVVITCFFGSLVTLTFGGAYVVKLLEEYATGPAVLTVALIEAVAVSWFYGITQFCRDVKEMLGFSPGWFWRICWVAISPLFLLFIICSFLMSPPQLRLFQYNYPYWSIILGYCIGTSSFICIPTYIAYRLIITPGTFKERIIKSITPETPTEIPCGDIRLNAV > n/a > P31645 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50232152&enzyme=Serotonin+Transporter+%28SERT%29&column=ki&startPg=0&Increment=50&submit=Search > 3516 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a $$$$ Wcorina 01220710483D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 56 58 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3990 0.0097 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2441 2.0743 0.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4217 1.3611 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4020 -0.0245 0.0133 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1979 -0.7081 0.0044 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1841 -0.6704 -0.0077 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7426 -0.9820 -1.2855 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1883 -2.0681 -0.0022 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4569 -2.7258 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2457 -4.2412 -0.0075 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6236 -4.6318 1.1831 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2416 2.1546 0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3022 1.5661 -0.0115 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2160 3.6613 0.0101 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5208 4.1920 0.6104 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5147 5.7216 0.5604 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 6.1664 -0.8325 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1115 5.7086 -1.4153 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0757 4.1787 -1.4242 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5084 7.6262 -0.9338 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6123 8.0281 -2.4064 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7448 9.5256 -2.5104 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9974 10.1104 -2.5016 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1202 11.4836 -2.5973 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9880 12.2737 -2.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7339 11.6869 -2.7106 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6139 10.3131 -2.6201 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1068 13.6163 -2.7952 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.2664 3.1541 0.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3663 1.8846 0.0286 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3314 -0.5745 0.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9217 -0.0599 -1.8384 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6847 -1.5135 -1.1504 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0476 -1.6105 -1.8424 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0117 -2.4412 0.8947 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0202 -2.4327 -0.8852 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2099 -4.7419 -0.0949 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6157 -4.5156 -0.8537 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3727 4.0080 0.6075 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6056 3.8621 1.6459 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3662 3.8125 0.0366 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6771 6.1007 1.1458 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4485 6.1022 0.9741 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2805 6.0879 -0.8206 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0262 6.0798 -2.4366 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8984 3.7990 -2.0301 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1281 3.8393 -1.8425 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6335 8.1002 -0.4887 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4051 7.9492 -0.4049 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4871 7.5542 -2.8515 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7156 7.7051 -2.9353 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8804 9.4940 -2.4196 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0988 11.9403 -2.5902 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8501 12.3022 -2.7922 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6358 9.8551 -2.6268 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 13 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 3 4 2 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 9 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 13 15 1 0 0 0 0 13 14 2 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 24 2 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 25 26 2 0 0 0 0 25 54 1 0 0 0 0 26 27 1 0 0 0 0 26 29 1 0 0 0 0 27 28 2 0 0 0 0 27 55 1 0 0 0 0 28 56 1 0 0 0 0 M END > www.bindingDB.org > 50267508 > http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50267508 > n/a > CHEBI:598962 > Alpha-1a adrenergic receptor > Homo sapiens > MVFLSGNASDSSNCTQPPAPVNISKAILLGVILGGLILFGVLGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEVLGYWAFGRVFCNIWAAVDVLCCTASIMGLCIISIDRYIGVSYPLRYPTIVTQRRGLMALLCVWALSLVISIGPLFGWRQPAPEDETICQINEEPGYVLFSALGSFYLPLAIILVMYCRVYVVAKRESRGLKSGLKTDKSDSEQVTLRIHRKNAPAGGSGMASAKTKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPDFKPSETVFKIVFWLGYLNSCINPIIYPCSSQEFKKAFQNVLRIQCLCRKQSSKHALGYTLHPPSQAVEGQHKDMVRIPVGSRETFYRISKTDGVCEWKFFSSMPRGSARITVSKDQSSCTTARVRSKSFLQVCCCVGPSTPSLDKNHQVPTIKVHTISLSENGEEV > n/a > P35348 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267508&enzyme=Alpha-1a+adrenergic+receptor&column=ki&startPg=0&Increment=50&submit=Search > 146 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Alpha-1b adrenergic receptor > Homo sapiens > MNPDLDTGHNTSAPAHWGELKNANFTGPNQTSSNSTLPQLDITRAISVGLVLGAFILFAIVGNILVILSVACNRHLRTPTNYFIVNLAMADLLLSFTVLPFSAALEVLGYWVLGRIFCDIWAAVDVLCCTASILSLCAISIDRYIGVRYSLQYPTLVTRRKAILALLSVWVLSTVISIGPLLGWKEPAPNDDKECGVTEEPFYALFSSLGSFYIPLAVILVMYCRVYIVAKRTTKNLEAGVMKEMSNSKELTLRIHSKNFHEDTLSSTKAKGHNPRSSIAVKLFKFSREKKAAKTLGIVVGMFILCWLPFFIALPLGSLFSTLKPPDAVFKVVFWLGYFNSCLNPIIYPCSSKEFKRAFVRILGCQCRGRGRRRRRRRRRLGGCAYTYRPWTRGGSLERSQSRKDSLDDSGSCLSGSQRTLPSASPSPGYLGRGAPPPVELCAFPEWKAPGALLSLPAPEPPGRRGRHDSGPLFTFKLLTEPESPGTDGGASNGGCEAAADVANGQPGFKSNMPLAPGQF > n/a > P35368 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267508&enzyme=Alpha-1b+adrenergic+receptor&column=ki&startPg=0&Increment=50&submit=Search > 550 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Alpha-2a adrenergic receptor > Homo sapiens > MGSLQPDAGNASWNGTEAPGGGARATPYSLQVTLTLVCLAGLLMLLTVFGNVLVIIAVFTSRALKAPQNLFLVSLASADILVATLVIPFSLANEVMGYWYFGKAWCEIYLALDVLFCTSSIVHLCAISLDRYWSITQAIEYNLKRTPRRIKAIIITVWVISAVISFPPLISIEKKGGGGGPQPAEPRCEINDQKWYVISSCIGSFFAPCLIMILVYVRIYQIAKRRTRVPPSRRGPDAVAAPPGGTERRPNGLGPERSAGPGGAEAEPLPTQLNGAPGEPAPAGPRDTDALDLEESSSSDHAERPPGPRRPERGPRGKGKARASQVKPGDSLPRRGPGATGIGTPAAGPGEERVGAAKASRWRGRQNREKRFTFVLAVVIGVFVVCWFPFFFTYTLTAVGCSVPRTLFKFFFWFGYCNSSLNPVIYTIFNHDFRRAFKKILCRGDRKRIV > n/a > P08913 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267508&enzyme=Alpha-2a+adrenergic+receptor&column=ki&startPg=0&Increment=50&submit=Search > 863 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Alpha-2c adrenergic receptor > Homo sapiens > MASPALAAALAVAAAAGPNASGAGERGSGGVANASGASWGPPRGQYSAGAVAGLAAVVGFLIVFTVVGNVLVVIAVLTSRALRAPQNLFLVSLASADILVATLVMPFSLANELMAYWYFGQVWCGVYLALDVLFCTSSIVHLCAISLDRYWSVTQAVEYNLKRTPRRVKATIVAVWLISAVISFPPLVSLYRQPDGAAYPQCGLNDETWYILSSCIGSFFAPCLIMGLVYARIYRVAKLRTRTLSEKRAPVGPDGASPTTENGLGAAAGAGENGHCAPPPADVEPDESSAAAERRRRRGALRRGGRRRAGAEGGAGGADGQGAGPGAAESGALTASRSPGPGGRLSRASSRSVEFFLSRRRRARSSVCRRKVAQAREKRFTFVLAVVMGVFVLCWFPFFFSYSLYGICREACQVPGPLFKFFFWIGYCNSSLNPVIYTVFNQDFRRSFKHILFRRRRRGFRQ > n/a > P18825 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267508&enzyme=Alpha-2c+adrenergic+receptor&column=ki&startPg=0&Increment=50&submit=Search > 333 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Beta-3 Adrenergic Receptor > Homo sapiens > MAPWPHENSSLAPWPDLPTLAPNTANTSGLPGVPWEAALAGALLALAVLATVGGNLLVIVAIAWTPRLQTMTNVFVTSLAAADLVMGLLVVPPAATLALTGHWPLGATGCELWTSVDVLCVTASIETLCALAVDRYLAVTNPLRYGALVTKRCARTAVVLVWVVSAAVSFAPIMSQWWRVGADAEAQRCHSNPRCCAFASNMPYVLLSSSVSFYLPLLVMLFVYARVFVVATRQLRLLRGELGRFPPEESPPAPSRSLAPAPVGTCAPPEGVPACGRRPARLLPLREHRALCTLGLIMGTFTLCWLPFFLANVLRALGGPSLVPGPAFLALNWLGYANSAFNPLIYCRSPDFRSAFRRLLCRCGRRLPPEPCAAARPALFPSGVPAARSSPAQPRLCQRLDGASWGVS > n/a > P13945 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267508&enzyme=Beta-3+Adrenergic+Receptor&column=ki&startPg=0&Increment=50&submit=Search > >10000 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Dopamine D1 receptor > Homo sapiens > MRTLNTSAMDGTGLVVERDFSVRILTACFLSLLILSTLLGNTLVCAAVIRFRHLRSKVTNFFVISLAVSDLLVAVLVMPWKAVAEIAGFWPFGSFCNIWVAFDIMCSTASILNLCVISVDRYWAISSPFRYERKMTPKAAFILISVAWTLSVLISFIPVQLSWHKAKPTSPSDGNATSLAETIDNCDSSLSRTYAISSSVISFYIPVAIMIVTYTRIYRIAQKQIRRIAALERAAVHAKNCQTTTGNGKPVECSQPESSFKMSFKRETKVLKTLSVIMGVFVCCWLPFFILNCILPFCGSGETQPFCIDSNTFDVFVWFGWANSSLNPIIYAFNADFRKAFSTLLGCYRLCPATNNAIETVSINNNGAAMFSSHHEPRGSISKECNLVYLIPHAVGSSEDLKKEEAAGIARPLEKLSPALSVILDYDTDVSLEKIQPITQNGQHPT > n/a > P21728 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267508&enzyme=Dopamine+D1+receptor&column=ki&startPg=0&Increment=50&submit=Search > 1410 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Dopamine D4 receptor > Homo sapiens > MGNRSTADADGLLAGRGPAAGASAGASAGLAGQGAAALVGGVLLIGAVLAGNSLVCVSVATERALQTPTNSFIVSLAAADLLLALLVLPLFVYSEVQGGAWLLSPRLCDALMAMDVMLCTASIFNLCAISVDRFVAVAVPLRYNRQGGSRRQLLLIGATWLLSAAVAAPVLCGLNDVRGRDPAVCRLEDRDYVVYSSVCSFFLPCPLMLLLYWATFRGLQRWEVARRAKLHGRAPRRPSGPGPPSPTPPAPRLPQDPCGPDCAPPAPGLPRGPCGPDCAPAAPGLPPDPCGPDCAPPAPGLPQDPCGPDCAPPAPGLPRGPCGPDCAPPAPGLPQDPCGPDCAPPAPGLPPDPCGSNCAPPDAVRAAALPPQTPPQTRRRRRAKITGRERKAMRVLPVVVGAFLLCWTPFFVVHITQALCPACSVPPRLVSAVTWLGYVNSALNPVIYTVFNAEFRNVFRKALRACC > n/a > P21917 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267508&enzyme=Dopamine+D4+receptor&column=ki&startPg=0&Increment=50&submit=Search > 174 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Dopamine D5 receptor > Homo sapiens > MLPPGSNGTAYPGQFALYQQLAQGNAVGGSAGAPPLGPSQVVTACLLTLLIIWTLLGNVLVCAAIVRSRHLRANMTNVFIVSLAVSDLFVALLVMPWKAVAEVAGYWPFGAFCDVWVAFDIMCSTASILNLCVISVDRYWAISRPFRYKRKMTQRMALVMVGLAWTLSILISFIPVQLNWHRDQAASWGGLDLPNNLANWTPWEEDFWEPDVNAENCDSSLNRTYAISSSLISFYIPVAIMIVTYTRIYRIAQVQIRRISSLERAAEHAQSCRSSAACAPDTSLRASIKKETKVLKTLSVIMGVFVCCWLPFFILNCMVPFCSGHPEGPPAGFPCVSETTFDVFVWFGWANSSLNPVIYAFNADFQKVFAQLLGCSHFCSRTPVETVNISNELISYNQDIVFHKEIAAAYIHMMPNAVTPGNREVDNDEEEGPFDRMFQIYQTSPDGDPVAESVWELDCEGEISLDKITPFTPNGFH > n/a > P21918 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267508&enzyme=Dopamine+D5+receptor&column=ki&startPg=0&Increment=50&submit=Search > 7398 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Dopamine Receptor D2 > Homo sapiens > MDPLNLSWYDDDLERQNWSRPFNGSDGKADRPHYNYYATLLTLLIAVIVFGNVLVCMAVSREKALQTTTNYLIVSLAVADLLVATLVMPWVVYLEVVGEWKFSRIHCDIFVTLDVMMCTASILNLCAISIDRYTAVAMPMLYNTRYSSKRRVTVMISIVWVLSFTISCPLLFGLNNADQNECIIANPAFVVYSSIVSFYVPFIVTLLVYIKIYIVLRRRRKRVNTKRSSRAFRAHLRAPLKGNCTHPEDMKLCTVIMKSNGSFPVNRRRVEAARRAQELEMEMLSSTSPPERTRYSPIPPSHHQLTLPDPSHHGLHSTPDSPAKPEKNGHAKDHPKIAKIFEIQTMPNGKTRTSLKTMSRRKLSQQKEKKATQMLAIVLGVFIICWLPFFITHILNIHCDCNIPPVLYSAFTWLGYVNSAVNPIIYTTFNIEFRKAFLKILHC > n/a > P14416 P60026 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267508&enzyme=Dopamine+Receptor+D2&column=ki&startPg=0&Increment=50&submit=Search > 3828 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Dopamine Transporter (DAT) > Homo sapiens > MSKSKCSVGLMSSVVAPAKEPNAVGPKEVELILVKEQNGVQLTSSTLTNPRQSPVEAQDRETWGKKIDFLLSVIGFAVDLANVWRFPYLCYKNGGGAFLVPYLLFMVIAGMPLFYMELALGQFNREGAAGVWKICPILKGVGFTVILISLYVGFFYNVIIAWALHYLFSSFTTELPWIHCNNSWNSPNCSDAHPGDSSGDSSGLNDTFGTTPAAEYFERGVLHLHQSHGIDDLGPPRWQLTACLVLVIVLLYFSLWKGVKTSGKVVWITATMPYVVLTALLLRGVTLPGAIDGIRAYLSVDFYRLCEASVWIDAATQVCFSLGVGFGVLIAFSSYNKFTNNCYRDAIVTTSINSLTSFSSGFVVFSFLGYMAQKHSVPIGDVAKDGPGLIFIIYPEAIATLPLSSAWAVVFFIMLLTLGIDSAMGGMESVITGLIDEFQLLHRHRELFTLFIVLATFLLSLFCVTNGGIYVFTLLDHFAAGTSILFGVLIEAIGVAWFYGVGQFSDDIQQMTGQRPSLYWRLCWKLVSPCFLLFVVVVSIVTFRPPHYGAYIFPDWANALGWVIATSSMAMVPIYAAYKFCSLPGSFREKLAYAIAPEKDRELVDRGEVRQFTLRHWLKV > n/a > Q01959 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267508&enzyme=Dopamine+Transporter+%28DAT%29&column=ki&startPg=0&Increment=50&submit=Search > >10000 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Histamine H1 Receptor > Homo sapiens > MSLPNSSCLLEDKMCEGNKTTMASPQLMPLVVVLSTICLVTVGLNLLVLYAVRSERKLHTVGNLYIVSLSVADLIVGAVVMPMNILYLLMSKWSLGRPLCLFWLSMDYVASTASIFSVFILCIDRYRSVQQPLRYLKYRTKTRASATILGAWFLSFLWVIPILGWNHFMQQTSVRREDKCETDFYDVTWFKVMTAIINFYLPTLLMLWFYAKIYKAVRQHCQHRELINRSLPSFSEIKLRPENPKGDAKKPGKESPWEVLKRKPKDAGGGSVLKSPSQTPKEMKSPVVFSQEDDREVDKLYCFPLDIVHMQAAAEGSSRDYVAVNRSHGQLKTDEQGLNTHGASEISEDQMLGDSQSFSRTDSDTTTETAPGKGKLRSGSNTGLDYIKFTWKRLRSHSRQYVSGLHMNRERKAAKQLGFIMAAFILCWIPYFIFFMVIAFCKNCCNEHLHMFTIWLGYINSTLNPLIYPLCNENFKKTFKRILHIRS > n/a > P35367 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267508&enzyme=Histamine+H1+Receptor&column=ki&startPg=0&Increment=50&submit=Search > 944 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Histamine H2 Receptor > Homo sapiens > MAPNGTASSFCLDSTACKITITVVLAVLILITVAGNVVVCLAVGLNRRLRNLTNCFIVSLAITDLLLGLLVLPFSAIYQLSCKWSFGKVFCNIYTSLDVMLCTASILNLFMISLDRYCAVMDPLRYPVLVTPVRVAISLVLIWVISITLSFLSIHLGWNSRNETSKGNHTTSKCKVQVNEVYGLVDGLVTFYLPLLIMCITYYRIFKVARDQAKRINHISSWKAATIREHKATVTLAAVMGAFIICWFPYFTAFVYRGLRGDDAINEVLEAIVLWLGYANSALNPILYAALNRDFRTGYQQLFCCRLANRNSHKTSLRSNASQLSRTQSREPRQQEEKPLKLQVWSGTEVTAPQGATDR > n/a > P25021 P61752 Q76MS7 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267508&enzyme=Histamine+H2+Receptor&column=ki&startPg=0&Increment=50&submit=Search > 1757 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Histamine H3 Receptor > Homo sapiens > MERAPPDGPLNASGALAGEAAAAGGARGFSAAWTAVLAALMALLIVATVLGNALVMLAFVADSSLRTQNNFFLLNLAISDFLVGAFCIPLYVPYVLTGRWTFGRGLCKLWLVVDYLLCTSSAFNIVLISYDRFLSVTRAVSYRAQQGDTRRAVRKMLLVWVLAFLLYGPAILSWEYLSGGSSIPEGHCYAEFFYNWYFLITASTLEFFTPFLSVTFFNLSIYLNIQRRTRLRLDGAREAAGPEPPPEAQPSPPPPPGCWGCWQKGHGEAMPLHRYGVGEAAVGAEAGEATLGGGGGGGSVASPTSSSGSSSRGTERPRSLKRGSKPSASSASLEKRMKMVSQSFTQRFRLSRDRKVAKSLAVIVSIFGLCWAPYTLLMIIRAACHGHCVPDYWYETSFWLLWANSAVNPVLYPLCHHSFRRAFTKLLCPQKLKIQPHSSLEHCWK > n/a > Q9Y5N1 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267508&enzyme=Histamine+H3+Receptor&column=ki&startPg=0&Increment=50&submit=Search > >10000 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Mu Opioid Receptor > Homo sapiens > MDSSAAPTNASNCTDALAYSSCSPAPSPGSWVNLSHLDGNLSDPCGPNRTDLGGRDSLCPPTGSPSMITAITIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDFRTPRNAKIINVCNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPVLIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALVTIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSNIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETAPLP > n/a > P35372 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267508&enzyme=Mu+Opioid+Receptor&column=ki&startPg=0&Increment=50&submit=Search > >10000 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Serotonin 3a (5-HT3a) receptor > Homo sapiens > MLLWVQQALLALLLPTLLAQGEARRSRNTTRPALLRLSDYLLTNYRKGVRPVRDWRKPTTVSIDVIVYAILNVDEKNQVLTTYIWYRQYWTDEFLQWNPEDFDNITKLSIPTDSIWVPDILINEFVDVGKSPNIPYVYIRHQGEVQNYKPLQVVTACSLDIYNFPFDVQNCSLTFTSWLHTIQDINISLWRLPEKVKSDRSVFMNQGEWELLGVLPYFREFSMESSNYYAEMKFYVVIRRRPLFYVVSLLLPSIFLMVMDIVGFYLPPNSGERVSFKITLLLGYSVFLIIVSDTLPATAIGTPLIGVYFVVCMALLVISLAETIFIVRLVHKQDLQQPVPAWLRHLVLERIAWLLCLREQSTSQRPPATSQATKTDDCSAMGNHCSHMGGPQDFEKSPRDRCSPPPPPREASLAVCGLLQELSSIRQFLEKRDEIREVARDWLRVGSVLDKLLFHIYLLAVLAYSITLVMLWSIWQYA > n/a > P46098 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267508&enzyme=Serotonin+3a+%285-HT3a%29+receptor&column=ki&startPg=0&Increment=50&submit=Search > >10000 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Serotonin 5a (5-HT5a) receptor > Homo sapiens > MDLPVNLTSFSLSTPSPLETNHSLGKDDLRPSSPLLSVFGVLILTLLGFLVAATFAWNLLVLATILRVRTFHRVPHNLVASMAVSDVLVAALVMPLSLVHELSGRRWQLGRRLCQLWIACDVLCCTASIWNVTAIALDRYWSITRHMEYTLRTRKCVSNVMIALTWALSAVISLAPLLFGWGETYSEGSEECQVSREPSYAVFSTVGAFYLPLCVVLFVYWKIYKAAKFRVGSRKTNSVSPISEAVEVKDSAKQPQMVFTVRHATVTFQPEGDTWREQKEQRAALMVGILIGVFVLCWIPFFLTELISPLCSCDIPAIWKSIFLWLGYSNSFFNPLIYTAFNKNYNSAFKNFFSRQH > n/a > P47898 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267508&enzyme=Serotonin+5a+%285-HT5a%29+receptor&column=ki&startPg=0&Increment=50&submit=Search > 1584 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Serotonin Receptor 1A > Homo sapiens > MDVLSPGQGNNTTSPPAPFETGGNTTGISDVTVSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSDPDACTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVKKVEKTGADTRHGASPAPQPKKSVNGESGSRNWRLGVESKAGGALCANGAVRQGDDGAALEVIEVHRVGNSKEHLPLPSEAGPTPCAPASFERKNERNAEAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPFCESSCHMPTLLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFCRQ > n/a > P08908 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267508&enzyme=Serotonin+Receptor+1A&column=ki&startPg=0&Increment=50&submit=Search > 1681 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Serotonin Receptor 1B > Homo sapiens > MEEPGAQCAPPPPAGSETWVPQANLSSAPSQNCSAKDYIYQDSISLPWKVLLVMLLALITLATTLSNAFVIATVYRTRKLHTPANYLIASLAVTDLLVSILVMPISTMYTVTGRWTLGQVVCDFWLSSDITCCTASILHLCVIALDRYWAITDAVEYSAKRTPKRAAVMIALVWVFSISISLPPFFWRQAKAEEEVSECVVNTDHILYTVYSTVGAFYFPTLLLIALYGRIYVEARSRILKQTPNRTGKRLTRAQLITDSPGSTSSVTSINSRVPDVPSESGSPVYVNQVKVRVSDALLEKKKLMAARERKATKTLGIILGAFIVCWLPFFIISLVMPICKDACWFHLAIFDFFTWLGYLNSLINPIIYTMSNEDFKQAFHKLIRFKCTS > n/a > P28222 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267508&enzyme=Serotonin+Receptor+1B&column=ki&startPg=0&Increment=50&submit=Search > 2174 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Serotonin Receptor 1D > Homo sapiens > MSPLNQSAEGLPQEASNRSLNATETSEAWDPRTLQALKISLAVVLSVITLATVLSNAFVLTTILLTRKLHTPANYLIGSLATTDLLVSILVMPISIAYTITHTWNFGQILCDIWLSSDITCCTASILHLCVIALDRYWAITDALEYSKRRTAGHAATMIAIVWAISICISIPPLFWRQAKAQEEMSDCLVNTSQISYTIYSTCGAFYIPSVLLIILYGRIYRAARNRILNPPSLYGKRFTTAHLITGSAGSSLCSLNSSLHEGHSHSAGSPLFFNHVKIKLADSALERKRISAARERKATKILGIILGAFIICWLPFFVVSLVLPICRDSCWIHPALFDFFTWLGYLNSLINPIIYTVFNEEFRQAFQKIVPFRKAS > n/a > P28221 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267508&enzyme=Serotonin+Receptor+1D&column=ki&startPg=0&Increment=50&submit=Search > 713 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Serotonin Receptor 1E > Homo sapiens > MNITNCTTEASMAIRPKTITEKMLICMTLVVITTLTTLLNLAVIMAIGTTKKLHQPANYLICSLAVTDLLVAVLVMPLSIIYIVMDRWKLGYFLCEVWLSVDMTCCTCSILHLCVIALDRYWAITNAIEYARKRTAKRAALMILTVWTISIFISMPPLFWRSHRRLSPPPSQCTIQHDHVIYTIYSTLGAFYIPLTLILILYYRIYHAAKSLYQKRGSSRHLSNRSTDSQNSFASCKLTQTFCVSDFSTSDPTTEFEKFHASIRIPPFDNDLDHPGERQQISSTRERKAARILGLILGAFILSWLPFFIKELIVGLSIYTVSSEVADFLTWLGYVNSLINPLLYTSFNEDFKLAFKKLIRCREHT > n/a > P28566 Q9N2B6 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267508&enzyme=Serotonin+Receptor+1E&column=ki&startPg=0&Increment=50&submit=Search > >10000 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Serotonin Receptor 2A > Rattus norvegicus > MEILCEDNISLSSIPNSLMQLGDGPRLYHNDFNSRDANTSEASNWTIDAENRTNLSCEGYLPPTCLSILHLQEKNWSALLTTVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAIWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHSRFNSRTKAFLKIIAVWTISVGISMPIPVFGLQDDSKVFKEGSCLLADDNFVLIGSFVAFFIPLTIMVITYFLTIKSLQKEATLCVSDLSTRAKLASFSFLPQSSLSSEKLFQRSIHREPGSYAGRRTMQSISNEQKACKVLGIVFFLFVVMWCPFFITNIMAVICKESCNENVIGALLNVFVWIGYLSSAVNPLVYTLFNKTYRSAFSRYIQCQYKENRKPLQLILVNTIPALAYKSSQLQVGQKKNSQEDAEQTVDDCSMVTLGKQQSEENCTDNIETVNEKVSCV > n/a > P14842 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267508&enzyme=Serotonin+Receptor+2A&column=ki&startPg=0&Increment=50&submit=Search > 3.23 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Serotonin Receptor 2B > Homo sapiens > MALSYRVSELQSTIPEHILQSTFVHVISSNWSGLQTESIPEEMKQIVEEQGNKLHWAALLILMVIIPTIGGNTLVILAVSLEKKLQYATNYFLMSLAVADLLVGLFVMPIALLTIMFEAMWPLPLVLCPAWLFLDVLFSTASIMHLCAISVDRYIAIKKPIQANQYNSRATAFIKITVVWLISIGIAIPVPIKGIETDVDNPNNITCVLTKERFGDFMLFGSLAAFFTPLAIMIVTYFLTIHALQKKAYLVKNKPPQRLTWLTVSTVFQRDETPCSSPEKVAMLDGSRKDKALPNSGDETLMRRTSTIGKKSVQTISNEQRASKVLGIVFFLFLLMWCPFFITNITLVLCDSCNQTTLQMLLEIFVWIGYVSSGVNPLVYTLFNKTFRDAFGRYITCNYRATKSVKTLRKRSSKIYFRNPMAENSKFFKKHGIRNGINPAMYQSPMRLRSSTIQSSSIILLDTLLLTENEGDKTEEQVSYV > n/a > Q29005 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267508&enzyme=Serotonin+Receptor+2B&column=ki&startPg=0&Increment=50&submit=Search > 960 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Serotonin Receptor 2C > Homo sapiens > MVNLRNAVHSFLVHLIGLLVWQCDISVSPVAAIVTDIFNTSDGGRFKFPDGVQNWPALSIVIIIIMTIGGNILVIMAVSMEKKLHNATNYFLMSLAIADMLVGLLVMPLSLLAILYDYVWPLPRYLCPVWISLDVLFSTASIMHLCAISLDRYVAIRNPIEHSRFNSRTKAIMKIAIVWAISIGVSVPIPVIGLRDEEKVFVNNTTCVLNDPNFVLIGSFVAFFIPLTIMVITYCLTIYVLRRQALMLLHGHTEEPPGLSLDFLKCCKRNTAEEENSANPNQDQNARRRKKKERRPRGTMQAINNERKASKVLGIVFFVFLIMWCPFFITNILSVLCEKSCNQKLMEKLLNVFVWIGYVCSGINPLVYTLFNKIYRRAFSNYLRCNYKVEKKPPVRQIPRVAATALSGRELNVNIYRHTNEPVIEKASDNEPGIEMQVENLELPVNPSSVVSERISSV > n/a > P28335 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267508&enzyme=Serotonin+Receptor+2C&column=ki&startPg=0&Increment=50&submit=Search > 128 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Serotonin Receptor 6 > Homo sapiens > MVPEPGPTANSTPAWGAGPPSAPGGSGWVAAALCVVIALTAAANSLLIALICTQPALRNTSNFFLVSLFTSDLMVGLVVMPPAMLNALYGRWVLARGLCLLWTAFDVMCCSASILNLCLISLDRYLLILSPLRYKLRMTPLRALALVLGAWSLAALASFLPLLLGWHELGHARPPVPGQCRLLASLPFVLVASGLTFFLPSGAICFTYCRILLAARKQAVQVASLTTGMASQASETLQVPRTPRPGVESADSRRLATKHSRKALKASLTLGILLGMFFVTWLPFFVANIVQAVCDCISPGLFDVLTWLGYCNSTMNPIIYPLFMRDFKRALGRFLPCPRCPRERQASLASPSLRTSHSGPRPGLSLQQVLPLPLPPDSDSDSDAGSGGSSGLRLTAQLLLPGEATQDPPLPTRAAAAVNFFNIDPAEPELRPHPLGIPTN > n/a > n/a > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267508&enzyme=Serotonin+Receptor+6&column=ki&startPg=0&Increment=50&submit=Search > >10000 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Serotonin Receptor 7 > Homo sapiens > MMDVNSSGRPDLYGHLRSFLLPEVGRGLPDLSPDGGADPVAGSWAPHLLSEVTASPAPTWDAPPDNASGCGEQINYGRVEKVVIGSILTLITLLTIAGNCLVVISVCFVKKLRQPSNYLIVSLALADLSVAVAVMPFVSVTDLIGGKWIFGHFFCNVFIAMDVMCCTASIMTLCVISIDRYLGITRPLTYPVRQNGKCMAKMILSVWLLSASITLPPLFGWAQNVNDDKVCLISQDFGYTIYSTAVAFYIPMSVMLFMYYQIYKAARKSAAKHKFPGFPRVEPDSVIALNGIVKLQKEVEECANLSRLLKHERKNISIFKREQKAATTLGIIVGAFTVCWLPFFLLSTARPFICGTSCSCIPLWVERTFLWLGYANSLINPFIYAFFNRDLRTTYRSLLQCQYRNINRKLSAAGMHEALKLAERPERPEFVLRACTRRVLLRPEKRPPVSVWVLQSPDHHNWLADKMLTTVEKKVMIHD > n/a > n/a > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267508&enzyme=Serotonin+Receptor+7&column=ki&startPg=0&Increment=50&submit=Search > 210 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Serotonin Transporter (SERT) > Homo sapiens > METTPLNSQKQLSACEDGEDCQENGVLQKVVPTPGDKVESGQISNGYSAVPSPGAGDDTRHSIPATTTTLVAELHQGERETWGKKVDFLLSVIGYAVDLGNVWRFPYICYQNGGGAFLLPYTIMAIFGGIPLFYMELALGQYHRNGCISIWRKICPIFKGIGYAICIIAFYIASYYNTIMAWALYYLISSFTDQLPWTSCKNSWNTGNCTNYFSEDNITWTLHSTSPAEEFYTRHVLQIHRSKGLQDLGGISWQLALCIMLIFTVIYFSIWKGVKTSGKVVWVTATFPYIILSVLLVRGATLPGAWRGVLFYLKPNWQKLLETGVWIDAAAQIFFSLGPGFGVLLAFASYNKFNNNCYQDALVTSVVNCMTSFVSGFVIFTVLGYMAEMRNEDVSEVAKDAGPSLLFITYAEAIANMPASTFFAIIFFLMLITLGLDSTFAGLEGVITAVLDEFPHVWAKRRERFVLAVVITCFFGSLVTLTFGGAYVVKLLEEYATGPAVLTVALIEAVAVSWFYGITQFCRDVKEMLGFSPGWFWRICWVAISPLFLLFIICSFLMSPPQLRLFQYNYPYWSIILGYCIGTSSFICIPTYIAYRLIITPGTFKERIIKSITPETPTEIPCGDIRLNAV > n/a > P31645 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267508&enzyme=Serotonin+Transporter+%28SERT%29&column=ki&startPg=0&Increment=50&submit=Search > 3087 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a $$$$ Wcorina 01220710483D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 61 63 0 0 0 0 0 0 0 0999 V2000 -0.0167 1.3814 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2232 2.0563 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4128 1.3518 0.0208 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4011 -0.0305 0.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1953 -0.7131 0.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1881 -0.6695 -0.0072 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7478 -0.9800 -1.2848 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1820 -2.0730 -0.0041 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4489 -2.7341 -0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2336 -4.2489 -0.0119 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6107 -4.6390 1.1785 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2780 2.1526 0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0570 3.4485 -0.5589 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7942 2.2979 1.4344 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1097 3.0814 1.4274 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5895 3.2760 2.8675 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5687 4.0055 3.6305 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3106 3.2505 3.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7628 3.0550 2.2755 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0522 4.3318 4.9787 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0741 5.2969 5.6516 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5702 5.6317 7.0347 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4087 6.7140 7.2251 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8638 7.0211 8.4937 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4799 6.2461 9.5721 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6406 5.1642 9.3818 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1821 4.8598 8.1138 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9768 6.5802 10.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2365 3.1362 0.0253 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3533 1.8827 0.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3318 -0.5784 0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0543 -1.6098 -1.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9253 -0.0575 -1.8377 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6909 -1.5095 -1.1493 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0047 -2.4518 0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0127 -2.4416 -0.8879 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1965 -4.7521 -0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6028 -4.5208 -0.8581 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0152 1.6185 -0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4107 3.9811 -0.0754 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9609 1.3098 1.8634 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8609 2.5263 0.8655 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9515 4.0542 0.9619 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7608 2.3030 3.3279 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5187 3.8459 2.8669 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4925 2.2776 4.1476 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5846 3.8018 4.2885 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5676 4.0274 1.8233 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1628 2.4811 2.3195 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1258 3.4186 5.5692 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0343 4.7996 4.9091 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0006 6.2101 5.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0920 4.8291 5.7212 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7086 7.3196 6.3826 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5195 7.8663 8.6424 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3410 4.5585 10.2243 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5264 4.0146 7.9652 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2808 7.2684 11.4347 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0497 5.6668 11.5454 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9593 7.0471 10.8851 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 13 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 3 4 2 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 9 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 13 15 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 22 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 23 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 24 2 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 55 1 0 0 0 0 25 26 2 0 0 0 0 25 56 1 0 0 0 0 26 27 1 0 0 0 0 26 29 1 0 0 0 0 27 28 2 0 0 0 0 27 57 1 0 0 0 0 28 58 1 0 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 29 61 1 0 0 0 0 M END > www.bindingDB.org > 50267510 > http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50267510 > n/a > CHEBI:598964 > Alpha-1b adrenergic receptor > Homo sapiens > MNPDLDTGHNTSAPAHWGELKNANFTGPNQTSSNSTLPQLDITRAISVGLVLGAFILFAIVGNILVILSVACNRHLRTPTNYFIVNLAMADLLLSFTVLPFSAALEVLGYWVLGRIFCDIWAAVDVLCCTASILSLCAISIDRYIGVRYSLQYPTLVTRRKAILALLSVWVLSTVISIGPLLGWKEPAPNDDKECGVTEEPFYALFSSLGSFYIPLAVILVMYCRVYIVAKRTTKNLEAGVMKEMSNSKELTLRIHSKNFHEDTLSSTKAKGHNPRSSIAVKLFKFSREKKAAKTLGIVVGMFILCWLPFFIALPLGSLFSTLKPPDAVFKVVFWLGYFNSCLNPIIYPCSSKEFKRAFVRILGCQCRGRGRRRRRRRRRLGGCAYTYRPWTRGGSLERSQSRKDSLDDSGSCLSGSQRTLPSASPSPGYLGRGAPPPVELCAFPEWKAPGALLSLPAPEPPGRRGRHDSGPLFTFKLLTEPESPGTDGGASNGGCEAAADVANGQPGFKSNMPLAPGQF > n/a > P35368 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267510&enzyme=Alpha-1b+adrenergic+receptor&column=ki&startPg=0&Increment=50&submit=Search > >10000 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Alpha-2a adrenergic receptor > Homo sapiens > MGSLQPDAGNASWNGTEAPGGGARATPYSLQVTLTLVCLAGLLMLLTVFGNVLVIIAVFTSRALKAPQNLFLVSLASADILVATLVIPFSLANEVMGYWYFGKAWCEIYLALDVLFCTSSIVHLCAISLDRYWSITQAIEYNLKRTPRRIKAIIITVWVISAVISFPPLISIEKKGGGGGPQPAEPRCEINDQKWYVISSCIGSFFAPCLIMILVYVRIYQIAKRRTRVPPSRRGPDAVAAPPGGTERRPNGLGPERSAGPGGAEAEPLPTQLNGAPGEPAPAGPRDTDALDLEESSSSDHAERPPGPRRPERGPRGKGKARASQVKPGDSLPRRGPGATGIGTPAAGPGEERVGAAKASRWRGRQNREKRFTFVLAVVIGVFVVCWFPFFFTYTLTAVGCSVPRTLFKFFFWFGYCNSSLNPVIYTIFNHDFRRAFKKILCRGDRKRIV > n/a > P08913 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267510&enzyme=Alpha-2a+adrenergic+receptor&column=ki&startPg=0&Increment=50&submit=Search > >10000 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Alpha-2c adrenergic receptor > Homo sapiens > MASPALAAALAVAAAAGPNASGAGERGSGGVANASGASWGPPRGQYSAGAVAGLAAVVGFLIVFTVVGNVLVVIAVLTSRALRAPQNLFLVSLASADILVATLVMPFSLANELMAYWYFGQVWCGVYLALDVLFCTSSIVHLCAISLDRYWSVTQAVEYNLKRTPRRVKATIVAVWLISAVISFPPLVSLYRQPDGAAYPQCGLNDETWYILSSCIGSFFAPCLIMGLVYARIYRVAKLRTRTLSEKRAPVGPDGASPTTENGLGAAAGAGENGHCAPPPADVEPDESSAAAERRRRRGALRRGGRRRAGAEGGAGGADGQGAGPGAAESGALTASRSPGPGGRLSRASSRSVEFFLSRRRRARSSVCRRKVAQAREKRFTFVLAVVMGVFVLCWFPFFFSYSLYGICREACQVPGPLFKFFFWIGYCNSSLNPVIYTVFNQDFRRSFKHILFRRRRRGFRQ > n/a > P18825 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267510&enzyme=Alpha-2c+adrenergic+receptor&column=ki&startPg=0&Increment=50&submit=Search > 143 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Beta-3 Adrenergic Receptor > Homo sapiens > MAPWPHENSSLAPWPDLPTLAPNTANTSGLPGVPWEAALAGALLALAVLATVGGNLLVIVAIAWTPRLQTMTNVFVTSLAAADLVMGLLVVPPAATLALTGHWPLGATGCELWTSVDVLCVTASIETLCALAVDRYLAVTNPLRYGALVTKRCARTAVVLVWVVSAAVSFAPIMSQWWRVGADAEAQRCHSNPRCCAFASNMPYVLLSSSVSFYLPLLVMLFVYARVFVVATRQLRLLRGELGRFPPEESPPAPSRSLAPAPVGTCAPPEGVPACGRRPARLLPLREHRALCTLGLIMGTFTLCWLPFFLANVLRALGGPSLVPGPAFLALNWLGYANSAFNPLIYCRSPDFRSAFRRLLCRCGRRLPPEPCAAARPALFPSGVPAARSSPAQPRLCQRLDGASWGVS > n/a > P13945 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267510&enzyme=Beta-3+Adrenergic+Receptor&column=ki&startPg=0&Increment=50&submit=Search > >10000 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Dopamine D1 receptor > Homo sapiens > MRTLNTSAMDGTGLVVERDFSVRILTACFLSLLILSTLLGNTLVCAAVIRFRHLRSKVTNFFVISLAVSDLLVAVLVMPWKAVAEIAGFWPFGSFCNIWVAFDIMCSTASILNLCVISVDRYWAISSPFRYERKMTPKAAFILISVAWTLSVLISFIPVQLSWHKAKPTSPSDGNATSLAETIDNCDSSLSRTYAISSSVISFYIPVAIMIVTYTRIYRIAQKQIRRIAALERAAVHAKNCQTTTGNGKPVECSQPESSFKMSFKRETKVLKTLSVIMGVFVCCWLPFFILNCILPFCGSGETQPFCIDSNTFDVFVWFGWANSSLNPIIYAFNADFRKAFSTLLGCYRLCPATNNAIETVSINNNGAAMFSSHHEPRGSISKECNLVYLIPHAVGSSEDLKKEEAAGIARPLEKLSPALSVILDYDTDVSLEKIQPITQNGQHPT > n/a > P21728 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267510&enzyme=Dopamine+D1+receptor&column=ki&startPg=0&Increment=50&submit=Search > 1759 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Dopamine D4 receptor > Homo sapiens > MGNRSTADADGLLAGRGPAAGASAGASAGLAGQGAAALVGGVLLIGAVLAGNSLVCVSVATERALQTPTNSFIVSLAAADLLLALLVLPLFVYSEVQGGAWLLSPRLCDALMAMDVMLCTASIFNLCAISVDRFVAVAVPLRYNRQGGSRRQLLLIGATWLLSAAVAAPVLCGLNDVRGRDPAVCRLEDRDYVVYSSVCSFFLPCPLMLLLYWATFRGLQRWEVARRAKLHGRAPRRPSGPGPPSPTPPAPRLPQDPCGPDCAPPAPGLPRGPCGPDCAPAAPGLPPDPCGPDCAPPAPGLPQDPCGPDCAPPAPGLPRGPCGPDCAPPAPGLPQDPCGPDCAPPAPGLPPDPCGSNCAPPDAVRAAALPPQTPPQTRRRRRAKITGRERKAMRVLPVVVGAFLLCWTPFFVVHITQALCPACSVPPRLVSAVTWLGYVNSALNPVIYTVFNAEFRNVFRKALRACC > n/a > P21917 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267510&enzyme=Dopamine+D4+receptor&column=ki&startPg=0&Increment=50&submit=Search > 2708 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Dopamine Receptor D2 > Homo sapiens > MDPLNLSWYDDDLERQNWSRPFNGSDGKADRPHYNYYATLLTLLIAVIVFGNVLVCMAVSREKALQTTTNYLIVSLAVADLLVATLVMPWVVYLEVVGEWKFSRIHCDIFVTLDVMMCTASILNLCAISIDRYTAVAMPMLYNTRYSSKRRVTVMISIVWVLSFTISCPLLFGLNNADQNECIIANPAFVVYSSIVSFYVPFIVTLLVYIKIYIVLRRRRKRVNTKRSSRAFRAHLRAPLKGNCTHPEDMKLCTVIMKSNGSFPVNRRRVEAARRAQELEMEMLSSTSPPERTRYSPIPPSHHQLTLPDPSHHGLHSTPDSPAKPEKNGHAKDHPKIAKIFEIQTMPNGKTRTSLKTMSRRKLSQQKEKKATQMLAIVLGVFIICWLPFFITHILNIHCDCNIPPVLYSAFTWLGYVNSAVNPIIYTTFNIEFRKAFLKILHC > n/a > P14416 P60026 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267510&enzyme=Dopamine+Receptor+D2&column=ki&startPg=0&Increment=50&submit=Search > >10000 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Dopamine Transporter (DAT) > Homo sapiens > MSKSKCSVGLMSSVVAPAKEPNAVGPKEVELILVKEQNGVQLTSSTLTNPRQSPVEAQDRETWGKKIDFLLSVIGFAVDLANVWRFPYLCYKNGGGAFLVPYLLFMVIAGMPLFYMELALGQFNREGAAGVWKICPILKGVGFTVILISLYVGFFYNVIIAWALHYLFSSFTTELPWIHCNNSWNSPNCSDAHPGDSSGDSSGLNDTFGTTPAAEYFERGVLHLHQSHGIDDLGPPRWQLTACLVLVIVLLYFSLWKGVKTSGKVVWITATMPYVVLTALLLRGVTLPGAIDGIRAYLSVDFYRLCEASVWIDAATQVCFSLGVGFGVLIAFSSYNKFTNNCYRDAIVTTSINSLTSFSSGFVVFSFLGYMAQKHSVPIGDVAKDGPGLIFIIYPEAIATLPLSSAWAVVFFIMLLTLGIDSAMGGMESVITGLIDEFQLLHRHRELFTLFIVLATFLLSLFCVTNGGIYVFTLLDHFAAGTSILFGVLIEAIGVAWFYGVGQFSDDIQQMTGQRPSLYWRLCWKLVSPCFLLFVVVVSIVTFRPPHYGAYIFPDWANALGWVIATSSMAMVPIYAAYKFCSLPGSFREKLAYAIAPEKDRELVDRGEVRQFTLRHWLKV > n/a > Q01959 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267510&enzyme=Dopamine+Transporter+%28DAT%29&column=ki&startPg=0&Increment=50&submit=Search > >10000 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Histamine H1 Receptor > Homo sapiens > MSLPNSSCLLEDKMCEGNKTTMASPQLMPLVVVLSTICLVTVGLNLLVLYAVRSERKLHTVGNLYIVSLSVADLIVGAVVMPMNILYLLMSKWSLGRPLCLFWLSMDYVASTASIFSVFILCIDRYRSVQQPLRYLKYRTKTRASATILGAWFLSFLWVIPILGWNHFMQQTSVRREDKCETDFYDVTWFKVMTAIINFYLPTLLMLWFYAKIYKAVRQHCQHRELINRSLPSFSEIKLRPENPKGDAKKPGKESPWEVLKRKPKDAGGGSVLKSPSQTPKEMKSPVVFSQEDDREVDKLYCFPLDIVHMQAAAEGSSRDYVAVNRSHGQLKTDEQGLNTHGASEISEDQMLGDSQSFSRTDSDTTTETAPGKGKLRSGSNTGLDYIKFTWKRLRSHSRQYVSGLHMNRERKAAKQLGFIMAAFILCWIPYFIFFMVIAFCKNCCNEHLHMFTIWLGYINSTLNPLIYPLCNENFKKTFKRILHIRS > n/a > P35367 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267510&enzyme=Histamine+H1+Receptor&column=ki&startPg=0&Increment=50&submit=Search > 439 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Histamine H2 Receptor > Homo sapiens > MAPNGTASSFCLDSTACKITITVVLAVLILITVAGNVVVCLAVGLNRRLRNLTNCFIVSLAITDLLLGLLVLPFSAIYQLSCKWSFGKVFCNIYTSLDVMLCTASILNLFMISLDRYCAVMDPLRYPVLVTPVRVAISLVLIWVISITLSFLSIHLGWNSRNETSKGNHTTSKCKVQVNEVYGLVDGLVTFYLPLLIMCITYYRIFKVARDQAKRINHISSWKAATIREHKATVTLAAVMGAFIICWFPYFTAFVYRGLRGDDAINEVLEAIVLWLGYANSALNPILYAALNRDFRTGYQQLFCCRLANRNSHKTSLRSNASQLSRTQSREPRQQEEKPLKLQVWSGTEVTAPQGATDR > n/a > P25021 P61752 Q76MS7 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267510&enzyme=Histamine+H2+Receptor&column=ki&startPg=0&Increment=50&submit=Search > 1156 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Histamine H3 Receptor > Homo sapiens > MERAPPDGPLNASGALAGEAAAAGGARGFSAAWTAVLAALMALLIVATVLGNALVMLAFVADSSLRTQNNFFLLNLAISDFLVGAFCIPLYVPYVLTGRWTFGRGLCKLWLVVDYLLCTSSAFNIVLISYDRFLSVTRAVSYRAQQGDTRRAVRKMLLVWVLAFLLYGPAILSWEYLSGGSSIPEGHCYAEFFYNWYFLITASTLEFFTPFLSVTFFNLSIYLNIQRRTRLRLDGAREAAGPEPPPEAQPSPPPPPGCWGCWQKGHGEAMPLHRYGVGEAAVGAEAGEATLGGGGGGGSVASPTSSSGSSSRGTERPRSLKRGSKPSASSASLEKRMKMVSQSFTQRFRLSRDRKVAKSLAVIVSIFGLCWAPYTLLMIIRAACHGHCVPDYWYETSFWLLWANSAVNPVLYPLCHHSFRRAFTKLLCPQKLKIQPHSSLEHCWK > n/a > Q9Y5N1 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267510&enzyme=Histamine+H3+Receptor&column=ki&startPg=0&Increment=50&submit=Search > >10000 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Mu Opioid Receptor > Homo sapiens > MDSSAAPTNASNCTDALAYSSCSPAPSPGSWVNLSHLDGNLSDPCGPNRTDLGGRDSLCPPTGSPSMITAITIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDFRTPRNAKIINVCNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPVLIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALVTIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSNIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETAPLP > n/a > P35372 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267510&enzyme=Mu+Opioid+Receptor&column=ki&startPg=0&Increment=50&submit=Search > >10000 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Serotonin 3a (5-HT3a) receptor > Homo sapiens > MLLWVQQALLALLLPTLLAQGEARRSRNTTRPALLRLSDYLLTNYRKGVRPVRDWRKPTTVSIDVIVYAILNVDEKNQVLTTYIWYRQYWTDEFLQWNPEDFDNITKLSIPTDSIWVPDILINEFVDVGKSPNIPYVYIRHQGEVQNYKPLQVVTACSLDIYNFPFDVQNCSLTFTSWLHTIQDINISLWRLPEKVKSDRSVFMNQGEWELLGVLPYFREFSMESSNYYAEMKFYVVIRRRPLFYVVSLLLPSIFLMVMDIVGFYLPPNSGERVSFKITLLLGYSVFLIIVSDTLPATAIGTPLIGVYFVVCMALLVISLAETIFIVRLVHKQDLQQPVPAWLRHLVLERIAWLLCLREQSTSQRPPATSQATKTDDCSAMGNHCSHMGGPQDFEKSPRDRCSPPPPPREASLAVCGLLQELSSIRQFLEKRDEIREVARDWLRVGSVLDKLLFHIYLLAVLAYSITLVMLWSIWQYA > n/a > P46098 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267510&enzyme=Serotonin+3a+%285-HT3a%29+receptor&column=ki&startPg=0&Increment=50&submit=Search > >10000 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Serotonin 5a (5-HT5a) receptor > Homo sapiens > MDLPVNLTSFSLSTPSPLETNHSLGKDDLRPSSPLLSVFGVLILTLLGFLVAATFAWNLLVLATILRVRTFHRVPHNLVASMAVSDVLVAALVMPLSLVHELSGRRWQLGRRLCQLWIACDVLCCTASIWNVTAIALDRYWSITRHMEYTLRTRKCVSNVMIALTWALSAVISLAPLLFGWGETYSEGSEECQVSREPSYAVFSTVGAFYLPLCVVLFVYWKIYKAAKFRVGSRKTNSVSPISEAVEVKDSAKQPQMVFTVRHATVTFQPEGDTWREQKEQRAALMVGILIGVFVLCWIPFFLTELISPLCSCDIPAIWKSIFLWLGYSNSFFNPLIYTAFNKNYNSAFKNFFSRQH > n/a > P47898 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267510&enzyme=Serotonin+5a+%285-HT5a%29+receptor&column=ki&startPg=0&Increment=50&submit=Search > >10000 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Serotonin Receptor 1A > Homo sapiens > MDVLSPGQGNNTTSPPAPFETGGNTTGISDVTVSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSDPDACTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVKKVEKTGADTRHGASPAPQPKKSVNGESGSRNWRLGVESKAGGALCANGAVRQGDDGAALEVIEVHRVGNSKEHLPLPSEAGPTPCAPASFERKNERNAEAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPFCESSCHMPTLLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFCRQ > n/a > P08908 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267510&enzyme=Serotonin+Receptor+1A&column=ki&startPg=0&Increment=50&submit=Search > >10000 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Serotonin Receptor 1B > Homo sapiens > MEEPGAQCAPPPPAGSETWVPQANLSSAPSQNCSAKDYIYQDSISLPWKVLLVMLLALITLATTLSNAFVIATVYRTRKLHTPANYLIASLAVTDLLVSILVMPISTMYTVTGRWTLGQVVCDFWLSSDITCCTASILHLCVIALDRYWAITDAVEYSAKRTPKRAAVMIALVWVFSISISLPPFFWRQAKAEEEVSECVVNTDHILYTVYSTVGAFYFPTLLLIALYGRIYVEARSRILKQTPNRTGKRLTRAQLITDSPGSTSSVTSINSRVPDVPSESGSPVYVNQVKVRVSDALLEKKKLMAARERKATKTLGIILGAFIVCWLPFFIISLVMPICKDACWFHLAIFDFFTWLGYLNSLINPIIYTMSNEDFKQAFHKLIRFKCTS > n/a > P28222 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267510&enzyme=Serotonin+Receptor+1B&column=ki&startPg=0&Increment=50&submit=Search > 4886 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Serotonin Receptor 1D > Homo sapiens > MSPLNQSAEGLPQEASNRSLNATETSEAWDPRTLQALKISLAVVLSVITLATVLSNAFVLTTILLTRKLHTPANYLIGSLATTDLLVSILVMPISIAYTITHTWNFGQILCDIWLSSDITCCTASILHLCVIALDRYWAITDALEYSKRRTAGHAATMIAIVWAISICISIPPLFWRQAKAQEEMSDCLVNTSQISYTIYSTCGAFYIPSVLLIILYGRIYRAARNRILNPPSLYGKRFTTAHLITGSAGSSLCSLNSSLHEGHSHSAGSPLFFNHVKIKLADSALERKRISAARERKATKILGIILGAFIICWLPFFVVSLVLPICRDSCWIHPALFDFFTWLGYLNSLINPIIYTVFNEEFRQAFQKIVPFRKAS > n/a > P28221 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267510&enzyme=Serotonin+Receptor+1D&column=ki&startPg=0&Increment=50&submit=Search > 1440 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Serotonin Receptor 1E > Homo sapiens > MNITNCTTEASMAIRPKTITEKMLICMTLVVITTLTTLLNLAVIMAIGTTKKLHQPANYLICSLAVTDLLVAVLVMPLSIIYIVMDRWKLGYFLCEVWLSVDMTCCTCSILHLCVIALDRYWAITNAIEYARKRTAKRAALMILTVWTISIFISMPPLFWRSHRRLSPPPSQCTIQHDHVIYTIYSTLGAFYIPLTLILILYYRIYHAAKSLYQKRGSSRHLSNRSTDSQNSFASCKLTQTFCVSDFSTSDPTTEFEKFHASIRIPPFDNDLDHPGERQQISSTRERKAARILGLILGAFILSWLPFFIKELIVGLSIYTVSSEVADFLTWLGYVNSLINPLLYTSFNEDFKLAFKKLIRCREHT > n/a > P28566 Q9N2B6 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267510&enzyme=Serotonin+Receptor+1E&column=ki&startPg=0&Increment=50&submit=Search > >10000 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Serotonin Receptor 2A > Rattus norvegicus > MEILCEDNISLSSIPNSLMQLGDGPRLYHNDFNSRDANTSEASNWTIDAENRTNLSCEGYLPPTCLSILHLQEKNWSALLTTVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAIWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHSRFNSRTKAFLKIIAVWTISVGISMPIPVFGLQDDSKVFKEGSCLLADDNFVLIGSFVAFFIPLTIMVITYFLTIKSLQKEATLCVSDLSTRAKLASFSFLPQSSLSSEKLFQRSIHREPGSYAGRRTMQSISNEQKACKVLGIVFFLFVVMWCPFFITNIMAVICKESCNENVIGALLNVFVWIGYLSSAVNPLVYTLFNKTYRSAFSRYIQCQYKENRKPLQLILVNTIPALAYKSSQLQVGQKKNSQEDAEQTVDDCSMVTLGKQQSEENCTDNIETVNEKVSCV > n/a > P14842 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267510&enzyme=Serotonin+Receptor+2A&column=ki&startPg=0&Increment=50&submit=Search > 1.83 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Serotonin Receptor 2B > Homo sapiens > MALSYRVSELQSTIPEHILQSTFVHVISSNWSGLQTESIPEEMKQIVEEQGNKLHWAALLILMVIIPTIGGNTLVILAVSLEKKLQYATNYFLMSLAVADLLVGLFVMPIALLTIMFEAMWPLPLVLCPAWLFLDVLFSTASIMHLCAISVDRYIAIKKPIQANQYNSRATAFIKITVVWLISIGIAIPVPIKGIETDVDNPNNITCVLTKERFGDFMLFGSLAAFFTPLAIMIVTYFLTIHALQKKAYLVKNKPPQRLTWLTVSTVFQRDETPCSSPEKVAMLDGSRKDKALPNSGDETLMRRTSTIGKKSVQTISNEQRASKVLGIVFFLFLLMWCPFFITNITLVLCDSCNQTTLQMLLEIFVWIGYVSSGVNPLVYTLFNKTFRDAFGRYITCNYRATKSVKTLRKRSSKIYFRNPMAENSKFFKKHGIRNGINPAMYQSPMRLRSSTIQSSSIILLDTLLLTENEGDKTEEQVSYV > n/a > Q29005 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267510&enzyme=Serotonin+Receptor+2B&column=ki&startPg=0&Increment=50&submit=Search > 466 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Serotonin Receptor 2C > Homo sapiens > MVNLRNAVHSFLVHLIGLLVWQCDISVSPVAAIVTDIFNTSDGGRFKFPDGVQNWPALSIVIIIIMTIGGNILVIMAVSMEKKLHNATNYFLMSLAIADMLVGLLVMPLSLLAILYDYVWPLPRYLCPVWISLDVLFSTASIMHLCAISLDRYVAIRNPIEHSRFNSRTKAIMKIAIVWAISIGVSVPIPVIGLRDEEKVFVNNTTCVLNDPNFVLIGSFVAFFIPLTIMVITYCLTIYVLRRQALMLLHGHTEEPPGLSLDFLKCCKRNTAEEENSANPNQDQNARRRKKKERRPRGTMQAINNERKASKVLGIVFFVFLIMWCPFFITNILSVLCEKSCNQKLMEKLLNVFVWIGYVCSGINPLVYTLFNKIYRRAFSNYLRCNYKVEKKPPVRQIPRVAATALSGRELNVNIYRHTNEPVIEKASDNEPGIEMQVENLELPVNPSSVVSERISSV > n/a > P28335 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267510&enzyme=Serotonin+Receptor+2C&column=ki&startPg=0&Increment=50&submit=Search > 508 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Serotonin Receptor 6 > Homo sapiens > MVPEPGPTANSTPAWGAGPPSAPGGSGWVAAALCVVIALTAAANSLLIALICTQPALRNTSNFFLVSLFTSDLMVGLVVMPPAMLNALYGRWVLARGLCLLWTAFDVMCCSASILNLCLISLDRYLLILSPLRYKLRMTPLRALALVLGAWSLAALASFLPLLLGWHELGHARPPVPGQCRLLASLPFVLVASGLTFFLPSGAICFTYCRILLAARKQAVQVASLTTGMASQASETLQVPRTPRPGVESADSRRLATKHSRKALKASLTLGILLGMFFVTWLPFFVANIVQAVCDCISPGLFDVLTWLGYCNSTMNPIIYPLFMRDFKRALGRFLPCPRCPRERQASLASPSLRTSHSGPRPGLSLQQVLPLPLPPDSDSDSDAGSGGSSGLRLTAQLLLPGEATQDPPLPTRAAAAVNFFNIDPAEPELRPHPLGIPTN > n/a > n/a > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267510&enzyme=Serotonin+Receptor+6&column=ki&startPg=0&Increment=50&submit=Search > >10000 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Serotonin Receptor 7 > Homo sapiens > MMDVNSSGRPDLYGHLRSFLLPEVGRGLPDLSPDGGADPVAGSWAPHLLSEVTASPAPTWDAPPDNASGCGEQINYGRVEKVVIGSILTLITLLTIAGNCLVVISVCFVKKLRQPSNYLIVSLALADLSVAVAVMPFVSVTDLIGGKWIFGHFFCNVFIAMDVMCCTASIMTLCVISIDRYLGITRPLTYPVRQNGKCMAKMILSVWLLSASITLPPLFGWAQNVNDDKVCLISQDFGYTIYSTAVAFYIPMSVMLFMYYQIYKAARKSAAKHKFPGFPRVEPDSVIALNGIVKLQKEVEECANLSRLLKHERKNISIFKREQKAATTLGIIVGAFTVCWLPFFLLSTARPFICGTSCSCIPLWVERTFLWLGYANSLINPFIYAFFNRDLRTTYRSLLQCQYRNINRKLSAAGMHEALKLAERPERPEFVLRACTRRVLLRPEKRPPVSVWVLQSPDHHNWLADKMLTTVEKKVMIHD > n/a > n/a > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267510&enzyme=Serotonin+Receptor+7&column=ki&startPg=0&Increment=50&submit=Search > 498 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a > Serotonin Transporter (SERT) > Homo sapiens > METTPLNSQKQLSACEDGEDCQENGVLQKVVPTPGDKVESGQISNGYSAVPSPGAGDDTRHSIPATTTTLVAELHQGERETWGKKVDFLLSVIGYAVDLGNVWRFPYICYQNGGGAFLLPYTIMAIFGGIPLFYMELALGQYHRNGCISIWRKICPIFKGIGYAICIIAFYIASYYNTIMAWALYYLISSFTDQLPWTSCKNSWNTGNCTNYFSEDNITWTLHSTSPAEEFYTRHVLQIHRSKGLQDLGGISWQLALCIMLIFTVIYFSIWKGVKTSGKVVWVTATFPYIILSVLLVRGATLPGAWRGVLFYLKPNWQKLLETGVWIDAAAQIFFSLGPGFGVLLAFASYNKFNNNCYQDALVTSVVNCMTSFVSGFVIFTVLGYMAEMRNEDVSEVAKDAGPSLLFITYAEAIANMPASTFFAIIFFLMLITLGLDSTFAGLEGVITAVLDEFPHVWAKRRERFVLAVVITCFFGSLVTLTFGGAYVVKLLEEYATGPAVLTVALIEAVAVSWFYGITQFCRDVKEMLGFSPGWFWRICWVAISPLFLLFIICSFLMSPPQLRLFQYNYPYWSIILGYCIGTSSFICIPTYIAYRLIITPGTFKERIIKSITPETPTEIPCGDIRLNAV > n/a > P31645 > http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267510&enzyme=Serotonin+Transporter+%28SERT%29&column=ki&startPg=0&Increment=50&submit=Search > 2646 > n/a > n/a > n/a > n/a > 19329329 > n/a > n/a $$$$ Structure716 Wcorina 01220710483D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 63 67 0 0 0 0 0 0 0 0999 V2000 -0.6721 8.2400 -2.7931 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1907 6.9760 -2.3976 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6870 5.8499 -2.9925 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6622 5.9381 -3.9842 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1480 7.1471 -4.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6639 8.3274 -3.8017 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1244 9.5248 -4.1795 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6763 10.6301 -3.6342 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7025 10.6134 -2.6392 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1930 9.4223 -2.2033 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2297 11.9532 -4.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1979 5.5623 -1.0861 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7595 6.8774 -1.4330 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2620 5.6519 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6527 6.1671 1.2430 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4090 5.4511 1.5544 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9256 8.1396 2.5004 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4234 7.6147 1.1518 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1191 5.9114 2.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3737 7.4207 2.8742 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8441 7.8973 4.2499 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2524 6.1678 5.2777 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1840 7.2828 4.5633 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5103 5.4991 5.6057 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6932 5.9835 5.2476 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7790 7.3021 4.5106 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4547 7.9381 4.0631 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.6221 7.0842 3.3432 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8508 5.3069 5.4620 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5417 4.9388 4.2601 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4644 6.0478 3.2512 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2095 6.0018 2.2953 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4499 9.2714 4.4870 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.1340 4.8078 -4.5543 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.3189 4.8805 -2.6908 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9032 7.1963 -5.1595 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3530 11.5405 -2.2094 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5625 9.3911 -1.4322 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0971 12.2161 -3.4916 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4658 12.7236 -3.9912 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5263 11.8771 -5.1431 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3505 4.9808 -0.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6216 5.0769 -1.9653 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6764 4.6610 0.1955 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0578 6.3243 -0.3109 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3342 5.6629 0.7858 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6048 4.3792 1.5845 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6790 7.9506 3.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7406 9.2113 2.4279 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3560 8.1143 0.8895 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6754 7.8163 0.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0505 5.3912 3.1388 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6179 5.6873 3.6862 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1393 7.6420 2.1306 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1199 7.5950 5.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9343 8.9835 4.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3313 5.7288 5.6316 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4759 4.5737 6.1614 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2905 8.0181 5.1538 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4299 7.9341 2.9734 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5718 7.7128 2.6061 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0869 4.0399 3.8437 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5870 4.7357 4.4929 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 2 1 2 0 0 0 0 13 2 1 0 0 0 0 1 10 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 15 14 1 0 0 0 0 9 10 2 0 0 0 0 18 15 1 0 0 0 0 15 16 1 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 21 20 1 0 0 0 0 20 19 1 0 0 0 0 21 23 1 0 0 0 0 23 27 1 0 0 0 0 23 22 2 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 26 27 1 0 0 0 0 28 26 1 0 0 0 0 26 25 1 0 0 0 0 25 29 1 0 0 0 0 28 31 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 27 33 1 0 0 0 0 4 34 1 0 0 0 0 3 35 1 0 0 0 0 5 36 1 0 0 0 0 9 37 1 0 0 0 0 10 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 54 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 22 57 1 0 0 0 0 24 58 1 0 0 0 0 26 59 1 0 0 0 0 27 60 1 0 0 0 0 28 61 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 M END > (562) 579 > (562) C26H29F2N3O3 > (562) 469.5235664 > (562) 32 > (562) 0 > (562) 25.1 > (562) 17129726 > (562) 2007 > (562) serotonin reuptake inhibition > (562) SePos-560 $$$$ Structure720 Wcorina 01220710483D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 63 67 0 0 0 0 0 0 0 0999 V2000 -0.6721 8.2400 -2.7931 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1907 6.9760 -2.3976 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6870 5.8499 -2.9925 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6622 5.9381 -3.9842 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1480 7.1471 -4.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6639 8.3274 -3.8017 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1244 9.5248 -4.1795 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6763 10.6301 -3.6342 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7025 10.6134 -2.6392 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1930 9.4223 -2.2033 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2297 11.9532 -4.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1979 5.5623 -1.0861 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7595 6.8774 -1.4330 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2620 5.6519 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6527 6.1671 1.2430 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4090 5.4511 1.5544 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9256 8.1396 2.5004 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4234 7.6147 1.1518 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1191 5.9114 2.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3737 7.4207 2.8742 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8441 7.8973 4.2499 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2529 6.1655 5.2791 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1840 7.2828 4.5633 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5129 5.4977 5.6066 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6946 5.9831 5.2474 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7792 7.3018 4.5106 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4549 7.9378 4.0633 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6226 7.0848 3.3432 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8528 5.3074 5.4612 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5432 4.9395 4.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4653 6.0488 3.2509 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2104 6.0034 2.2950 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1340 4.8078 -4.5543 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.1012 5.6155 5.7222 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.3189 4.8805 -2.6908 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9032 7.1963 -5.1595 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3530 11.5405 -2.2094 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5625 9.3911 -1.4322 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0971 12.2161 -3.4916 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4658 12.7236 -3.9912 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5263 11.8771 -5.1431 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3505 4.9808 -0.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6216 5.0769 -1.9653 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6764 4.6610 0.1955 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0578 6.3243 -0.3109 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3342 5.6629 0.7858 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6048 4.3792 1.5845 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6790 7.9506 3.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7406 9.2113 2.4279 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3560 8.1143 0.8895 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6754 7.8163 0.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0505 5.3912 3.1388 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6179 5.6873 3.6862 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1393 7.6420 2.1306 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1199 7.5950 5.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9343 8.9835 4.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4799 4.5725 6.1627 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2906 8.0213 5.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4513 8.9766 4.3936 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4301 7.9339 2.9736 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5721 7.7136 2.6064 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0885 4.0405 3.8428 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5887 4.7368 4.4913 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 2 1 2 0 0 0 0 13 2 1 0 0 0 0 1 10 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 15 14 1 0 0 0 0 9 10 2 0 0 0 0 18 15 1 0 0 0 0 15 16 1 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 21 20 1 0 0 0 0 20 19 1 0 0 0 0 21 23 1 0 0 0 0 23 27 1 0 0 0 0 23 22 2 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 26 27 1 0 0 0 0 28 26 1 0 0 0 0 26 25 1 0 0 0 0 25 29 1 0 0 0 0 28 31 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 4 33 1 0 0 0 0 22 34 1 0 0 0 0 3 35 1 0 0 0 0 5 36 1 0 0 0 0 9 37 1 0 0 0 0 10 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 54 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 24 57 1 0 0 0 0 26 58 1 0 0 0 0 27 59 1 0 0 0 0 27 60 1 0 0 0 0 28 61 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 M END > (566) 583 > (566) C26H29F2N3O3 > (566) 469.5235664 > (566) 34 > (566) 0 > (566) 7.94 > (566) 17129726 > (566) 2007 > (566) serotonin reuptake inhibition > (566) SePos-564 $$$$ Structure721 Wcorina 01220710483D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 63 67 0 0 0 0 0 0 0 0999 V2000 -0.6661 8.2411 -2.7942 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1852 6.9773 -2.3977 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6874 5.8442 -2.9978 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6615 5.9383 -3.9887 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1433 7.1483 -4.3903 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6576 8.3280 -3.8027 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1174 9.5257 -4.1811 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6689 10.6310 -3.6366 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6954 10.6147 -2.6412 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1863 9.4237 -2.2049 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2213 11.9541 -4.1008 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2018 5.5620 -1.0862 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7649 6.8776 -1.4330 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2660 5.6504 0.0095 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6573 6.1663 1.2429 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4128 5.4517 1.5544 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9325 8.1396 2.5003 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4297 7.6141 1.1518 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1148 5.9126 2.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3676 7.4222 2.8742 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8375 7.8993 4.2499 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2482 6.1692 5.2791 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1780 7.2864 4.5633 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5090 5.5029 5.6066 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6901 5.9896 5.2474 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7732 7.3083 4.5106 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4482 7.9429 4.0633 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6169 7.0923 3.3432 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8491 5.3152 5.4612 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5400 4.9480 4.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4608 6.0572 3.2509 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2060 6.0127 2.2951 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2719 4.4897 -4.7254 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.0972 5.6178 5.7222 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.3221 4.8733 -2.6975 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8984 7.2000 -5.1607 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3457 11.5418 -2.2117 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5689 9.3924 -1.4335 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0888 12.2179 -3.4959 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4570 12.7240 -3.9953 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5176 11.8772 -5.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3538 4.9815 -0.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 5.0761 -1.9653 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6793 4.6590 0.1954 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0626 6.3218 -0.3109 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3302 5.6643 0.7858 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6074 4.3796 1.5845 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6857 7.9498 3.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7487 9.2116 2.4279 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3628 8.1127 0.8894 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6819 7.8166 0.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0467 5.3935 3.1388 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6220 5.6877 3.6862 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1330 7.6444 2.1306 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1136 7.5963 5.0063 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9265 8.9857 4.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4770 4.5776 6.1627 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2839 8.0284 5.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4434 8.9816 4.3935 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4234 7.9389 2.9736 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5656 7.7211 2.6064 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0863 4.0485 3.8428 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5857 4.7465 4.4913 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 2 1 2 0 0 0 0 13 2 1 0 0 0 0 1 10 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 15 14 1 0 0 0 0 9 10 2 0 0 0 0 18 15 1 0 0 0 0 15 16 1 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 21 20 1 0 0 0 0 20 19 1 0 0 0 0 21 23 1 0 0 0 0 23 27 1 0 0 0 0 23 22 2 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 26 27 1 0 0 0 0 28 26 1 0 0 0 0 26 25 1 0 0 0 0 25 29 1 0 0 0 0 28 31 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 4 33 1 0 0 0 0 22 34 1 0 0 0 0 3 35 1 0 0 0 0 5 36 1 0 0 0 0 9 37 1 0 0 0 0 10 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 54 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 24 57 1 0 0 0 0 26 58 1 0 0 0 0 27 59 1 0 0 0 0 27 60 1 0 0 0 0 28 61 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 M END > (567) 584 > (567) C26H29ClFN3O3 > (567) 485.9781632 > (567) 35 > (567) 0 > (567) 2.51 > (567) 17129726 > (567) 2007 > (567) serotonin reuptake inhibition > (567) SePos-565 $$$$ Structure726 Wcorina 01220710483D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 63 67 0 0 0 0 0 0 0 0999 V2000 -0.6661 8.2411 -2.7942 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1852 6.9773 -2.3977 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6874 5.8442 -2.9978 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6615 5.9383 -3.9887 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1433 7.1483 -4.3903 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6576 8.3280 -3.8027 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1174 9.5257 -4.1811 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6689 10.6310 -3.6366 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6954 10.6147 -2.6412 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1863 9.4237 -2.2049 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2213 11.9541 -4.1008 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2018 5.5620 -1.0862 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7649 6.8776 -1.4330 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2660 5.6504 0.0095 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6573 6.1663 1.2429 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4128 5.4517 1.5544 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9325 8.1396 2.5003 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4297 7.6141 1.1518 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1148 5.9126 2.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3676 7.4222 2.8742 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8375 7.8993 4.2499 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2475 6.1715 5.2777 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1780 7.2864 4.5633 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5072 5.5039 5.6058 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6897 5.9905 5.2473 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7732 7.3094 4.5105 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4479 7.9433 4.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6172 7.0935 3.3435 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8500 5.3151 5.4615 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5417 4.9495 4.2592 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4619 6.0591 3.2513 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2077 6.0159 2.2959 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2719 4.4897 -4.7254 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.4658 4.3461 6.3007 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.3221 4.8733 -2.6975 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8984 7.2000 -5.1607 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3457 11.5418 -2.2117 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5689 9.3924 -1.4335 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0888 12.2179 -3.4959 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4570 12.7240 -3.9953 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5176 11.8772 -5.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3538 4.9815 -0.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 5.0761 -1.9653 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6793 4.6590 0.1954 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0626 6.3218 -0.3109 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3302 5.6643 0.7858 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6074 4.3796 1.5845 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6857 7.9498 3.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7487 9.2116 2.4279 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3628 8.1127 0.8894 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6819 7.8166 0.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0467 5.3935 3.1388 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6220 5.6877 3.6862 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1330 7.6444 2.1306 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1136 7.5963 5.0063 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9265 8.9857 4.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3270 5.7314 5.6317 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2834 8.0296 5.1501 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4427 8.9821 4.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4231 7.9390 2.9733 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5656 7.7221 2.6065 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0890 4.0500 3.8421 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5875 4.7487 4.4918 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 2 1 2 0 0 0 0 13 2 1 0 0 0 0 1 10 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 15 14 1 0 0 0 0 9 10 2 0 0 0 0 18 15 1 0 0 0 0 15 16 1 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 21 20 1 0 0 0 0 20 19 1 0 0 0 0 21 23 1 0 0 0 0 23 27 1 0 0 0 0 23 22 2 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 26 27 1 0 0 0 0 28 26 1 0 0 0 0 26 25 1 0 0 0 0 25 29 1 0 0 0 0 28 31 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 4 33 1 0 0 0 0 24 34 1 0 0 0 0 3 35 1 0 0 0 0 5 36 1 0 0 0 0 9 37 1 0 0 0 0 10 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 54 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 22 57 1 0 0 0 0 26 58 1 0 0 0 0 27 59 1 0 0 0 0 27 60 1 0 0 0 0 28 61 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 M END > (572) 589 > (572) C26H29ClFN3O3 > (572) 485.9781632 > (572) 37 > (572) 0 > (572) 631 > (572) 17129726 > (572) 2007 > (572) serotonin reuptake inhibition > (572) SePos-570 $$$$ Structure782 Wcorina 01220710483D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 60 64 0 0 0 0 0 0 0 0999 V2000 -0.0169 1.3918 0.0097 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2072 -0.6711 -0.0156 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4028 0.0339 -0.0268 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3902 1.4146 -0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1863 2.0957 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6707 2.2105 -0.0166 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6956 -0.7400 -0.0589 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7875 0.1056 0.3005 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8330 1.3194 -0.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6123 -1.9066 0.9275 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8720 -2.7666 0.8078 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7921 -3.8867 1.7549 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3043 2.1186 0.0198 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3160 3.3341 0.0264 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4649 1.4335 0.0216 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7214 -6.0090 2.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7059 -4.8058 1.3924 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0716 -4.6114 1.8242 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0365 -5.5460 3.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7624 -6.3439 3.0239 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6749 -7.5514 3.8683 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9295 -7.6898 5.1309 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1423 -9.0094 5.5637 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9543 -9.6229 4.6343 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2611 -8.7526 3.6292 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1366 -6.8275 5.8861 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5677 -7.2700 7.0477 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7739 -8.5723 7.4809 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5577 -9.4390 6.7513 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1386 -9.0412 8.7644 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9245 -0.5588 0.0102 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2218 -1.7510 -0.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1785 3.1757 0.0088 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5751 3.0494 -0.7059 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8643 2.5878 0.9876 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8587 -1.1284 -1.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7374 1.0918 -1.5196 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7775 1.8313 -0.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5323 -1.5187 1.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7355 -2.5129 0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9521 -3.1545 -0.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7488 -2.1603 1.0353 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4556 0.4635 0.0162 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3096 1.9103 0.0282 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8376 -6.6278 2.3383 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7497 -4.2923 1.4931 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8339 -5.1259 0.3583 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2110 -5.1960 0.9149 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8899 -3.8998 1.9343 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8892 -6.2238 2.9961 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0859 -4.9556 3.9509 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2608 -10.5417 4.6857 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8790 -8.9835 2.7741 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9725 -5.8127 5.5547 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9537 -6.6013 7.6327 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7161 -10.4493 7.0987 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3994 -7.9956 9.3281 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2901 -10.1210 8.4975 F 0 0 0 0 0 0 0 0 0 0 0 0 3.1363 -9.4422 9.6593 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 5 6 1 0 0 0 0 7 5 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 7 10 1 0 0 0 0 9 10 1 0 0 0 0 8 11 1 0 0 0 0 9 8 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 1 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 18 13 1 0 0 0 0 13 19 1 0 0 0 0 17 18 1 0 0 0 0 17 21 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 26 22 2 0 0 0 0 23 22 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 23 27 1 0 0 0 0 24 23 2 0 0 0 0 24 30 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 2 32 1 0 0 0 0 3 33 1 0 0 0 0 6 34 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 37 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 25 53 1 0 0 0 0 26 54 1 0 0 0 0 27 55 1 0 0 0 0 28 56 1 0 0 0 0 30 57 1 0 0 0 0 31 58 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 M END > (575) 592 > (575) C26H26F3N3O2 > (575) 469.4987496 > (575) 4 > (575) 0 > (575) 0.99 > (575) 15109634 > (575) 2004 > (575) serotonin reuptake inhibition > (575) SePos-573 $$$$ Structure783 Wcorina 01220710483D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 57 61 0 0 0 0 0 0 0 0999 V2000 -0.0169 1.3918 0.0097 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2072 -0.6711 -0.0156 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4028 0.0339 -0.0268 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3902 1.4146 -0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1863 2.0957 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6707 2.2105 -0.0166 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6956 -0.7400 -0.0589 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7875 0.1056 0.3005 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8330 1.3194 -0.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6123 -1.9066 0.9275 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8720 -2.7666 0.8078 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7921 -3.8867 1.7549 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3043 2.1186 0.0198 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3160 3.3341 0.0264 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4649 1.4335 0.0216 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7214 -6.0089 2.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7059 -4.8058 1.3924 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0716 -4.6114 1.8242 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0365 -5.5460 3.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7624 -6.3439 3.0239 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6749 -7.5513 3.8683 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9295 -7.6896 5.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1423 -9.0086 5.5644 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9552 -9.6226 4.6344 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2612 -8.7526 3.6291 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1358 -6.8262 5.8848 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5624 -7.2742 7.0559 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7734 -8.5793 7.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5591 -9.4404 6.7516 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9245 -0.5588 0.0102 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2218 -1.7510 -0.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1785 3.1757 0.0088 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5751 3.0494 -0.7059 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8643 2.5878 0.9876 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8587 -1.1284 -1.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7374 1.0918 -1.5196 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7775 1.8313 -0.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5323 -1.5187 1.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7355 -2.5129 0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9521 -3.1545 -0.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7488 -2.1603 1.0353 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4556 0.4635 0.0162 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3096 1.9103 0.0282 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8376 -6.6278 2.3384 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7497 -4.2923 1.4931 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8339 -5.1259 0.3583 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2110 -5.1960 0.9149 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8899 -3.8998 1.9343 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8892 -6.2238 2.9961 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0859 -4.9556 3.9509 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2616 -10.5415 4.6857 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8788 -8.9835 2.7737 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9713 -5.8116 5.5533 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7925 -6.4410 7.7896 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7198 -10.4513 7.0962 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3201 -8.9200 8.4042 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 5 6 1 0 0 0 0 7 5 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 7 10 1 0 0 0 0 9 10 1 0 0 0 0 8 11 1 0 0 0 0 9 8 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 1 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 18 13 1 0 0 0 0 13 19 1 0 0 0 0 17 18 1 0 0 0 0 17 21 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 26 22 2 0 0 0 0 23 22 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 23 27 1 0 0 0 0 24 23 2 0 0 0 0 24 30 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 2 31 1 0 0 0 0 3 32 1 0 0 0 0 6 33 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 36 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 25 52 1 0 0 0 0 26 53 1 0 0 0 0 27 54 1 0 0 0 0 28 55 1 0 0 0 0 30 56 1 0 0 0 0 29 57 1 0 0 0 0 M END > (576) 593 > (576) C25H26FN3O2 > (576) 419.4912432 > (576) 5 > (576) 0 > (576) 1.6 > (576) 15109634 > (576) 2004 > (576) serotonin reuptake inhibition > (576) SePos-574 $$$$ Structure784 Wcorina 01220710483D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 61 65 0 0 0 0 0 0 0 0999 V2000 -0.0169 1.3918 0.0097 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2072 -0.6711 -0.0156 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4028 0.0339 -0.0268 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3902 1.4146 -0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1863 2.0957 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6707 2.2105 -0.0166 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6956 -0.7400 -0.0589 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7875 0.1056 0.3005 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8330 1.3194 -0.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6123 -1.9066 0.9275 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8720 -2.7666 0.8078 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7921 -3.8867 1.7549 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3043 2.1186 0.0198 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3160 3.3341 0.0264 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4649 1.4335 0.0216 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7214 -6.0089 2.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7059 -4.8058 1.3924 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0716 -4.6114 1.8242 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0365 -5.5460 3.0361 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7624 -6.3439 3.0239 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6747 -7.5510 3.8687 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9293 -7.6886 5.1315 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1413 -9.0075 5.5653 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9543 -9.6224 4.6347 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2608 -8.7525 3.6297 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1363 -6.8240 5.8847 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5616 -7.2722 7.0581 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7731 -8.5797 7.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5580 -9.4399 6.7523 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9245 -0.5588 0.0102 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2218 -1.7510 -0.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1785 3.1757 0.0088 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5751 3.0494 -0.7059 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8643 2.5878 0.9876 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8587 -1.1284 -1.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7374 1.0918 -1.5196 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7775 1.8313 -0.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5323 -1.5187 1.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7355 -2.5129 0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9521 -3.1545 -0.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7488 -2.1603 1.0353 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4556 0.4635 0.0162 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3096 1.9103 0.0282 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8377 -6.6280 2.3381 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7497 -4.2923 1.4931 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8339 -5.1259 0.3583 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2110 -5.1960 0.9149 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8899 -3.8998 1.9343 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8892 -6.2238 2.9961 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0859 -4.9555 3.9509 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2605 -10.5413 4.6861 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8786 -8.9835 2.7745 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9726 -5.8094 5.5527 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7872 -6.4334 7.7969 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7190 -10.4510 7.0961 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3200 -8.9214 8.4059 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2235 -6.9612 8.9993 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5865 -7.8124 8.7588 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0241 -7.2832 9.6651 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6298 -6.1906 9.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 5 6 1 0 0 0 0 7 5 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 7 10 1 0 0 0 0 9 10 1 0 0 0 0 8 11 1 0 0 0 0 9 8 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 1 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 18 13 1 0 0 0 0 13 19 1 0 0 0 0 17 18 1 0 0 0 0 17 21 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 26 22 2 0 0 0 0 23 22 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 23 27 1 0 0 0 0 24 23 2 0 0 0 0 24 30 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 2 31 1 0 0 0 0 3 32 1 0 0 0 0 6 33 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 36 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 25 52 1 0 0 0 0 26 53 1 0 0 0 0 27 54 1 0 0 0 0 28 55 1 0 0 0 0 30 56 1 0 0 0 0 29 57 1 0 0 0 0 55 58 1 0 0 0 0 58 59 1 0 0 0 0 58 60 1 0 0 0 0 58 61 1 0 0 0 0 M END > (577) 594 > (577) C26H29N3O3 > (577) 431.52676 > (577) 6 > (577) 0 > (577) 3.5 > (577) 15109634 > (577) 2004 > (577) serotonin reuptake inhibition > (577) SePos-575 $$$$ Structure789 Wcorina 01220710483D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 60 64 0 0 0 0 0 0 0 0999 V2000 -0.0169 1.3918 0.0097 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2072 -0.6711 -0.0156 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4028 0.0339 -0.0268 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3902 1.4146 -0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1863 2.0957 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6707 2.2105 -0.0166 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6956 -0.7400 -0.0589 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7875 0.1056 0.3005 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8330 1.3194 -0.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6123 -1.9066 0.9275 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8720 -2.7666 0.8078 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7921 -3.8867 1.7549 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3043 2.1186 0.0198 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3160 3.3341 0.0264 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4649 1.4335 0.0216 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7214 -6.0089 2.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7059 -4.8058 1.3924 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0716 -4.6114 1.8242 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0365 -5.5460 3.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7624 -6.3439 3.0239 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6751 -7.5516 3.8679 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9294 -7.6906 5.1308 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1424 -9.0102 5.5632 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9546 -9.6233 4.6339 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2615 -8.7524 3.6286 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1362 -6.8279 5.8853 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5664 -7.2692 7.0467 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7724 -8.5733 7.4812 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5574 -9.4409 6.7502 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7157 -10.4514 7.0969 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2023 -8.9936 8.6316 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4171 -11.0113 4.7109 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9245 -0.5588 0.0102 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2218 -1.7510 -0.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1785 3.1757 0.0088 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5751 3.0494 -0.7059 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8643 2.5878 0.9876 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8587 -1.1284 -1.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7374 1.0918 -1.5196 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7775 1.8313 -0.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5323 -1.5187 1.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7355 -2.5129 0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9521 -3.1545 -0.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7488 -2.1603 1.0353 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4556 0.4635 0.0162 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3096 1.9103 0.0282 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8376 -6.6278 2.3384 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7497 -4.2923 1.4931 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8339 -5.1259 0.3583 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2110 -5.1960 0.9149 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8899 -3.8998 1.9343 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8892 -6.2238 2.9961 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0859 -4.9556 3.9509 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8794 -8.9830 2.7733 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9725 -5.8133 5.5533 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9522 -6.6000 7.6308 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7020 -11.6610 4.2064 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3902 -11.0973 4.2274 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5032 -11.3081 5.7561 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 5 6 1 0 0 0 0 7 5 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 7 10 1 0 0 0 0 9 10 1 0 0 0 0 8 11 1 0 0 0 0 9 8 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 1 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 18 13 1 0 0 0 0 13 19 1 0 0 0 0 17 18 1 0 0 0 0 17 21 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 26 22 2 0 0 0 0 23 22 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 23 27 1 0 0 0 0 24 23 2 0 0 0 0 24 30 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 29 32 1 0 0 0 0 25 33 1 0 0 0 0 2 34 1 0 0 0 0 3 35 1 0 0 0 0 6 36 1 0 0 0 0 7 37 1 0 0 0 0 7 38 1 0 0 0 0 8 39 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 48 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 26 55 1 0 0 0 0 27 56 1 0 0 0 0 28 57 1 0 0 0 0 33 58 1 0 0 0 0 33 59 1 0 0 0 0 33 60 1 0 0 0 0 M END > (582) 599 > (582) C26H28FN3O2 > (582) 433.5178232 > (582) 11 > (582) 0 > (582) 0.98 > (582) 15109634 > (582) 2004 > (582) serotonin reuptake inhibition > (582) SePos-580 $$$$ Structure790 Wcorina 01220710483D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 56 60 0 0 0 0 0 0 0 0999 V2000 -0.0169 1.3918 0.0097 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2072 -0.6711 -0.0156 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4028 0.0339 -0.0268 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3902 1.4146 -0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1863 2.0957 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6707 2.2105 -0.0166 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6956 -0.7400 -0.0589 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7875 0.1056 0.3005 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8330 1.3194 -0.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6123 -1.9066 0.9275 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8720 -2.7666 0.8078 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7921 -3.8867 1.7549 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3043 2.1186 0.0198 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3160 3.3341 0.0264 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4649 1.4335 0.0216 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7215 -6.0090 2.2908 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7059 -4.8058 1.3924 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0716 -4.6114 1.8242 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0363 -5.5463 3.0358 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7622 -6.3440 3.0235 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6747 -7.5523 3.8676 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9309 -7.7013 5.1333 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1565 -9.0227 5.5475 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9520 -9.6072 4.6284 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2563 -8.7542 3.6364 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1356 -6.8522 5.8976 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5695 -7.3155 7.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7909 -8.6234 7.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5817 -9.4722 6.7302 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7512 -10.4857 7.0624 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2308 -9.0670 8.6246 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9245 -0.5588 0.0102 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2218 -1.7510 -0.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1785 3.1757 0.0088 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5751 3.0494 -0.7059 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8643 2.5878 0.9876 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8587 -1.1284 -1.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7374 1.0918 -1.5196 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7775 1.8313 -0.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5323 -1.5187 1.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7355 -2.5129 0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9521 -3.1545 -0.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7488 -2.1603 1.0353 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4556 0.4635 0.0162 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3096 1.9103 0.0282 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8377 -6.6279 2.3382 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7497 -4.2924 1.4932 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8338 -5.1258 0.3583 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2110 -5.1959 0.9148 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8899 -3.8998 1.9345 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8890 -6.2241 2.9958 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0858 -4.9560 3.9509 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8743 -8.9904 2.7829 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9634 -5.8353 5.5771 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9521 -6.6598 7.6611 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 5 6 1 0 0 0 0 7 5 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 7 10 1 0 0 0 0 9 10 1 0 0 0 0 8 11 1 0 0 0 0 9 8 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 1 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 18 13 1 0 0 0 0 13 19 1 0 0 0 0 17 18 1 0 0 0 0 17 21 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 26 22 2 0 0 0 0 23 22 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 23 27 1 0 0 0 0 24 23 2 0 0 0 0 24 30 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 29 32 1 0 0 0 0 2 33 1 0 0 0 0 3 34 1 0 0 0 0 6 35 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 38 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 47 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 26 54 1 0 0 0 0 27 55 1 0 0 0 0 28 56 1 0 0 0 0 M END > (583) 600 > (583) C25H25FN2O3 > (583) 420.4760032 > (583) 12 > (583) 0 > (583) 0.29 > (583) 15109634 > (583) 2004 > (583) serotonin reuptake inhibition > (583) SePos-581 $$$$ Structure791 Wcorina 01220710483D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 56 60 0 0 0 0 0 0 0 0999 V2000 0.4428 1.9129 0.8026 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3095 0.5233 0.7882 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4186 -0.2676 0.5835 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6676 0.3065 0.3905 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8062 1.6802 0.4082 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6996 2.4850 0.6119 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1498 2.3353 0.2117 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8491 -0.5997 0.1577 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0679 0.1179 0.3472 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1280 1.3345 -0.4057 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7918 -1.7697 1.1419 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9182 -2.7563 0.8274 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8633 -3.8797 1.7724 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7419 2.7721 1.0127 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6211 3.9815 1.0245 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9557 2.2143 1.1910 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6641 -5.8861 2.4607 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6416 -4.6709 1.5786 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0525 -4.7374 1.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1019 -5.6865 2.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7623 -6.3439 3.0237 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6747 -7.5515 3.8681 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7593 -8.1295 4.6713 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2201 -9.2643 5.3035 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9101 -9.3581 4.9078 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6116 -8.3011 4.0422 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0938 -7.7799 4.8896 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8689 -8.5413 5.7157 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3413 -9.6651 6.3441 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0282 -10.0306 6.1403 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6270 -10.9064 6.6286 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1240 -10.4064 7.1584 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.6594 0.0702 0.9373 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3157 -1.3426 0.5734 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8097 3.5593 0.6229 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0413 3.1929 -0.4523 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5340 2.6704 1.1752 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8140 -0.9837 -0.8618 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8475 1.1390 -1.4407 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1393 1.7395 -0.3675 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9101 -1.3953 2.1587 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8303 -2.2749 1.0503 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8000 -3.1307 -0.1894 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8798 -2.2511 0.9191 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0521 1.2491 1.1816 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7330 2.7780 1.3289 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7363 -6.4084 2.6417 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7732 -4.0608 1.8268 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5749 -4.9826 0.5363 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9876 -5.3157 0.7203 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 -4.1191 1.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8603 -6.4502 2.6695 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3539 -5.1226 3.7402 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2876 -10.0477 5.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5114 -6.9094 4.4056 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9006 -8.2693 5.8829 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 5 6 1 0 0 0 0 7 5 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 7 10 1 0 0 0 0 9 10 1 0 0 0 0 8 11 1 0 0 0 0 9 8 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 1 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 18 13 1 0 0 0 0 13 19 1 0 0 0 0 17 18 1 0 0 0 0 17 21 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 26 22 2 0 0 0 0 23 22 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 23 27 1 0 0 0 0 24 23 2 0 0 0 0 24 30 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 29 32 1 0 0 0 0 2 33 1 0 0 0 0 3 34 1 0 0 0 0 6 35 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 38 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 47 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 25 54 1 0 0 0 0 27 55 1 0 0 0 0 28 56 1 0 0 0 0 M END > (584) 601 > (584) C24H25FN4O2 > (584) 420.4793032 > (584) 13 > (584) 0 > (584) 0.5 > (584) 15109634 > (584) 2004 > (584) serotonin reuptake inhibition > (584) SePos-582 $$$$ Structure794 Wcorina 01220710483D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 57 61 0 0 0 0 0 0 0 0999 V2000 -0.0169 1.3918 0.0097 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2072 -0.6711 -0.0156 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4028 0.0339 -0.0268 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3902 1.4146 -0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1863 2.0957 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6707 2.2105 -0.0166 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6956 -0.7400 -0.0589 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7875 0.1056 0.3005 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8330 1.3194 -0.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6123 -1.9066 0.9275 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8720 -2.7666 0.8078 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7921 -3.8867 1.7549 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3043 2.1186 0.0198 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3160 3.3341 0.0264 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4649 1.4335 0.0216 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6621 -6.0801 2.4128 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8619 -4.8619 1.5082 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8213 -3.4060 3.1422 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5905 -4.5807 4.0955 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6824 -5.6315 3.8766 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4264 -6.8175 4.7704 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3998 -7.2313 5.7622 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9565 -8.3568 6.4828 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3692 -8.7490 5.8176 S 0 0 0 0 0 0 0 0 0 0 0 0 4.3342 -7.4928 4.6817 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6635 -6.6927 6.0887 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4178 -7.2544 7.0707 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9684 -8.3672 7.7761 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7398 -8.9197 7.4806 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3887 -9.7849 8.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7366 -8.9075 8.7472 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9245 -0.5588 0.0102 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2218 -1.7510 -0.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1785 3.1757 0.0088 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5751 3.0494 -0.7059 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8643 2.5878 0.9876 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8587 -1.1284 -1.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7374 1.0918 -1.5196 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7775 1.8313 -0.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5323 -1.5187 1.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7355 -2.5129 0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9521 -3.1545 -0.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7488 -2.1603 1.0353 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4556 0.4635 0.0162 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3096 1.9103 0.0282 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7028 -6.5465 2.1884 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4651 -6.7968 2.2406 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8336 -5.1758 0.4648 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8274 -4.4041 1.7236 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7917 -2.9550 3.3499 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0373 -2.6624 3.2855 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6278 -4.2262 5.1255 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6143 -5.0235 3.8976 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6554 -5.2002 4.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0333 -5.8296 5.5551 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3824 -6.8301 7.3072 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 5 6 1 0 0 0 0 7 5 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 7 10 1 0 0 0 0 9 10 1 0 0 0 0 8 11 1 0 0 0 0 9 8 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 1 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 18 13 1 0 0 0 0 13 19 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 26 22 2 0 0 0 0 23 22 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 23 27 1 0 0 0 0 24 23 2 0 0 0 0 24 30 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 29 32 1 0 0 0 0 2 33 1 0 0 0 0 3 34 1 0 0 0 0 6 35 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 38 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 21 55 1 0 0 0 0 27 56 1 0 0 0 0 28 57 1 0 0 0 0 M END > (587) 604 > (587) C24H26FN3O2S > (587) 439.5455432 > (587) 16 > (587) 0 > (587) 53 > (587) 15109634 > (587) 2004 > (587) serotonin reuptake inhibition > (587) SePos-585 $$$$ Structure797 Wcorina 01220710483D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 65 69 0 0 0 0 0 0 0 0999 V2000 -0.0169 1.3918 0.0097 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2072 -0.6711 -0.0156 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4028 0.0339 -0.0268 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3902 1.4146 -0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1863 2.0957 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6707 2.2105 -0.0166 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6956 -0.7400 -0.0589 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7875 0.1056 0.3005 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8330 1.3194 -0.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6123 -1.9066 0.9275 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8720 -2.7666 0.8078 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7921 -3.8867 1.7549 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3043 2.1186 0.0198 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3160 3.3341 0.0264 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4649 1.4335 0.0216 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5582 -5.8761 2.4763 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7058 -4.8059 1.3923 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0768 -4.5922 1.8452 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0000 -5.6561 2.9427 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8766 -6.6428 2.6126 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7566 -7.6581 3.7197 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9144 -9.1093 3.5924 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7146 -9.6366 4.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4558 -8.5751 5.7188 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4907 -7.4041 5.0105 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1978 -9.9640 2.5252 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2799 -11.3110 2.7375 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0829 -11.8383 4.0088 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7982 -11.0116 5.0758 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6424 -11.4301 6.0591 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1675 -13.1730 4.2002 F 0 0 0 0 0 0 0 0 0 0 0 0 4.1883 -8.6823 7.1552 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3851 -5.2634 0.5053 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9245 -0.5588 0.0102 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2218 -1.7510 -0.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1785 3.1757 0.0088 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5751 3.0494 -0.7059 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8643 2.5878 0.9876 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8587 -1.1284 -1.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7374 1.0918 -1.5196 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7775 1.8313 -0.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5323 -1.5187 1.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7355 -2.5129 0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9521 -3.1545 -0.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7488 -2.1603 1.0353 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4556 0.4635 0.0162 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3096 1.9103 0.0282 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3138 -5.4007 3.4262 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7622 -6.5673 2.1993 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7733 -4.2487 1.3027 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9365 -5.2831 0.4399 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8663 -3.8799 2.0846 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9485 -6.1901 2.9989 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7940 -5.1771 3.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1015 -7.1503 1.6745 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3258 -6.4218 5.4279 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3512 -9.5614 1.5348 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4991 -11.9713 1.9115 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1269 -8.6170 7.7054 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5291 -7.8708 7.4635 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7097 -9.6388 7.3652 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4407 -4.5058 -0.2763 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3386 -5.7872 0.5722 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5954 -5.9755 0.2655 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 5 6 1 0 0 0 0 7 5 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 7 10 1 0 0 0 0 9 10 1 0 0 0 0 8 11 1 0 0 0 0 9 8 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 1 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 18 13 1 0 0 0 0 13 19 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 26 22 2 0 0 0 0 23 22 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 23 27 1 0 0 0 0 24 23 2 0 0 0 0 24 30 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 29 32 1 0 0 0 0 25 33 1 0 0 0 0 19 34 1 0 0 0 0 2 35 1 0 0 0 0 3 36 1 0 0 0 0 6 37 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 8 40 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 53 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 21 56 1 0 0 0 0 26 57 1 0 0 0 0 27 58 1 0 0 0 0 28 59 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 33 62 1 0 0 0 0 34 63 1 0 0 0 0 34 64 1 0 0 0 0 34 65 1 0 0 0 0 M END > (590) 607 > (590) C27H32FN3O2 > (590) 449.5602832 > (590) 19 > (590) 0 > (590) 0.78 > (590) 15109634 > (590) 2004 > (590) serotonin reuptake inhibition > (590) SePos-588 $$$$ Structure798 Wcorina 01220710483D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 59 63 0 0 0 0 0 0 0 0999 V2000 8.7720 2.3137 1.7087 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8475 1.7121 2.5643 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9765 0.7650 2.0724 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0105 0.4048 0.7323 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9257 0.9933 -0.1177 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8049 1.9463 0.3643 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9956 0.6177 -1.5762 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0291 -0.6268 0.2382 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4398 -1.1319 -1.0317 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7092 -0.1003 -1.9877 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9567 -1.7789 1.2423 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8720 -2.7666 0.8078 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8878 -3.9344 1.6988 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7059 3.3378 2.2234 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5092 3.8589 1.4747 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6664 3.6935 3.5228 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3183 -5.4943 2.6981 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7856 -4.8651 1.3725 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6710 -3.5293 3.1113 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1989 -4.8408 3.7878 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3866 -4.5420 5.0215 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6415 -5.0419 6.3751 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6287 -4.4999 7.1868 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8256 -3.7305 6.3752 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2959 -3.7629 5.0899 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6128 -5.8747 6.9344 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5752 -6.1600 8.2698 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5764 -5.6277 9.0773 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6053 -4.8059 8.5438 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8306 -4.4002 9.1775 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5545 -5.9209 10.3959 F 0 0 0 0 0 0 0 0 0 0 0 0 0.6466 -2.9841 6.8214 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8154 1.9879 3.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2620 0.2988 2.7347 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5184 2.4073 -0.3027 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1157 1.5191 -2.1772 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8474 -0.0423 -1.7401 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0441 -0.1703 0.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8823 0.6097 -2.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8359 -0.5412 -2.9765 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9191 -2.2894 1.2797 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7155 -1.3856 2.2298 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8971 -2.2822 0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0625 -3.0882 -0.2161 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0253 3.2776 4.1202 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2791 4.3654 3.8605 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2670 -5.2673 2.8747 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4756 -6.5728 2.6811 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9631 -4.3190 0.9104 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1437 -5.6429 0.6981 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6014 -3.1792 3.5583 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8989 -2.7628 3.1774 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0495 -5.4779 4.0297 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8532 -3.2412 4.2543 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3912 -6.2923 6.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3268 -6.8042 8.7015 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9451 -1.9803 7.1236 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0727 -2.9191 6.0051 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1903 -3.4977 7.6677 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 5 6 1 0 0 0 0 7 5 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 7 10 1 0 0 0 0 9 10 1 0 0 0 0 8 11 1 0 0 0 0 9 8 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 1 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 18 13 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 25 21 2 0 0 0 0 22 21 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 22 26 1 0 0 0 0 23 22 2 0 0 0 0 23 29 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 28 31 1 0 0 0 0 24 32 1 0 0 0 0 13 19 1 0 0 0 0 2 33 1 0 0 0 0 3 34 1 0 0 0 0 6 35 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 38 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 53 1 0 0 0 0 25 54 1 0 0 0 0 26 55 1 0 0 0 0 27 56 1 0 0 0 0 32 57 1 0 0 0 0 32 58 1 0 0 0 0 32 59 1 0 0 0 0 M END > (591) 608 > (591) C25H28FN3O2 > (591) 421.5071232 > (591) 20 > (591) 0 > (591) 2.1 > (591) 15109634 > (591) 2004 > (591) serotonin reuptake inhibition > (591) SePos-589 $$$$ Structure799 Wcorina 01220710483D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 61 65 0 0 0 0 0 0 0 0999 V2000 -0.0169 1.3918 0.0097 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2072 -0.6711 -0.0156 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4028 0.0339 -0.0268 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3902 1.4146 -0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1863 2.0957 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6707 2.2105 -0.0166 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6956 -0.7400 -0.0589 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7875 0.1056 0.3005 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8330 1.3194 -0.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6123 -1.9066 0.9275 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8720 -2.7666 0.8078 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7921 -3.8867 1.7549 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3043 2.1186 0.0198 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3160 3.3341 0.0264 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4649 1.4335 0.0216 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7930 -5.9700 2.5623 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8627 -4.8626 1.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4726 -4.5312 1.6982 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4029 -5.6385 2.7524 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4735 -6.6144 2.5055 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3969 -7.6874 3.4128 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4489 -7.8247 4.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7501 -9.0497 5.1473 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8031 -9.6100 4.4602 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1750 -8.7853 3.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4112 -7.0299 5.0155 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6914 -7.4456 6.0995 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9841 -8.6555 6.7193 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0078 -9.4537 6.2531 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2310 -10.3900 6.7429 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2617 -9.0508 7.7903 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4304 -10.8942 4.7817 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9245 -0.5588 0.0102 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2218 -1.7510 -0.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1785 3.1757 0.0088 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5751 3.0494 -0.7059 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8643 2.5878 0.9876 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8587 -1.1284 -1.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7374 1.0918 -1.5196 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7775 1.8313 -0.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5323 -1.5187 1.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7355 -2.5129 0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9521 -3.1545 -0.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7488 -2.1603 1.0353 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4556 0.4635 0.0162 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3096 1.9103 0.0282 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5681 -6.7102 2.3639 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9453 -5.5398 3.5521 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7375 -5.2966 0.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 -4.3640 1.5678 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6975 -3.7909 1.8965 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3202 -4.9614 0.7083 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5281 -5.2046 3.7444 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4355 -6.1371 2.6927 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9725 -8.9877 2.7225 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1784 -6.0889 4.5395 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8892 -6.8298 6.4783 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9243 -11.6920 4.2382 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4811 -10.8677 4.4929 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3526 -11.0784 5.8532 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 5 6 1 0 0 0 0 7 5 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 7 10 1 0 0 0 0 9 10 1 0 0 0 0 8 11 1 0 0 0 0 9 8 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 1 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 18 13 1 0 0 0 0 13 19 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 26 22 2 0 0 0 0 23 22 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 23 27 1 0 0 0 0 24 23 2 0 0 0 0 24 30 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 29 32 1 0 0 0 0 25 33 1 0 0 0 0 2 34 1 0 0 0 0 3 35 1 0 0 0 0 6 36 1 0 0 0 0 7 37 1 0 0 0 0 7 38 1 0 0 0 0 8 39 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 26 56 1 0 0 0 0 27 57 1 0 0 0 0 28 58 1 0 0 0 0 33 59 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 M END > (592) 609 > (592) C25H29FN4O2 > (592) 436.5217632 > (592) 21 > (592) 0 > (592) 19 > (592) 15109634 > (592) 2004 > (592) serotonin reuptake inhibition > (592) SePos-590 $$$$ Structure201 Wcorina 01220710483D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 33 34 0 0 0 0 0 0 0 0999 V2000 -0.0168 1.3870 0.0097 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -0.6765 -0.0134 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4278 0.0534 -0.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3861 1.4190 -0.0123 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1694 2.0874 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9200 -2.1065 -0.0185 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9836 -0.9654 0.0058 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4182 -2.2114 -0.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9082 -3.2442 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3519 -3.5550 1.3959 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3552 -4.7100 1.3792 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7812 -5.0085 2.7530 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6622 -5.5291 3.5498 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9136 -5.9442 2.7615 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9583 1.9161 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3781 -0.4596 -0.0319 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3071 1.9831 -0.0178 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1526 3.1672 0.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9369 -0.7861 0.0158 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9673 -3.1414 -0.0066 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4390 -4.1267 -0.4697 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7760 -2.9630 -0.6315 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8211 -2.6725 1.8307 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4840 -3.8362 1.9924 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8859 -5.5926 0.9444 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2230 -4.4288 0.7826 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2864 -6.4450 3.0936 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0051 -5.7417 4.5623 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8647 -4.7869 3.5846 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7529 -5.5037 2.2232 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2088 -6.1480 3.7907 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6194 -6.8751 2.2767 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 7 3 1 0 0 0 0 2 3 2 0 0 0 0 2 8 1 0 0 0 0 7 9 2 0 0 0 0 8 9 1 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 1 16 1 0 0 0 0 4 17 1 0 0 0 0 5 18 1 0 0 0 0 6 19 1 0 0 0 0 8 20 1 0 0 0 0 9 21 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 M END > (815) 834 > (815) C13H18N2 > (815) 202.29542 > (815) 2B > (815) 0.058 > (815) 0 > (815) 15745809 > (815) 2005 > (815) serotonin reuptake inhibition > (815) SePos-813 $$$$ Structure552 Wcorina 01220710483D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 54 57 0 0 0 0 0 0 0 0999 V2000 3.2058 5.9128 0.0853 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0057 6.0962 1.4432 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0465 5.0090 2.2942 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2836 3.7479 1.7861 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4822 3.5587 0.4244 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4474 4.6395 -0.4268 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6647 4.5100 -1.9116 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7214 2.1526 -0.0604 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3356 2.1637 -1.4588 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4770 3.0613 -2.3575 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6738 1.4419 0.9033 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8569 0.0494 0.4728 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0281 -0.5531 1.1233 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3344 -1.9036 0.4727 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5360 -2.5216 1.1401 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1608 6.9806 -0.7541 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9031 8.2574 -0.1663 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6470 -0.7438 0.7278 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -3.9196 2.8555 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3657 -3.3489 2.2369 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8019 -2.2648 0.6513 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9074 -2.8335 1.2654 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7360 -3.6634 2.3752 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2766 -2.7695 1.0182 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9090 -3.5256 1.9353 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0066 -4.0768 2.7687 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1135 -3.6859 2.0014 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8190 7.0851 1.8352 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8936 5.1454 3.3545 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3154 2.8998 2.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9491 5.1431 -2.4362 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6765 4.8331 -2.1564 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7731 1.6159 -0.0887 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3512 2.5566 -1.4104 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3522 1.1505 -1.8604 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4280 2.7807 -2.2618 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 2.9525 -3.3948 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6373 1.9517 0.9039 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2530 1.4591 1.9086 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8871 0.1082 1.0096 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8200 -0.6993 2.1832 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4754 -2.5648 0.5865 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5426 -1.7574 -0.5872 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8937 9.0205 -0.9446 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9354 8.2379 0.3351 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6835 8.4877 0.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7914 -0.2648 0.2517 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7765 -1.7458 0.3187 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4753 -0.8094 1.8022 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3241 -4.5640 3.7114 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3724 -3.5487 2.6107 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9305 -1.6227 -0.2075 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7020 -2.2664 0.3063 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2068 -4.6652 3.5134 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 6 5 1 0 0 0 0 5 8 1 0 0 0 0 7 10 1 0 0 0 0 9 10 1 0 0 0 0 9 8 1 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 2 1 1 0 0 0 0 6 7 1 0 0 0 0 1 6 2 0 0 0 0 16 1 1 0 0 0 0 16 17 1 0 0 0 0 12 18 1 0 0 0 0 20 15 1 0 0 0 0 15 21 2 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 21 22 1 0 0 0 0 26 23 1 0 0 0 0 22 23 2 0 0 0 0 24 22 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 2 28 1 0 0 0 0 3 29 1 0 0 0 0 4 30 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 33 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 50 1 0 0 0 0 20 51 1 0 0 0 0 21 52 1 0 0 0 0 24 53 1 0 0 0 0 26 54 1 0 0 0 0 M END > (898) 926 > (898) C22H27N3O2 > (898) 365.46868 > (898) 70 > (898) 0.0163 > (898) 0 > (898) 9089327 > (898) 1997 > (898) serotonin reuptake inhibition > (898) SePos-896 $$$$ Structure556 Wcorina 01220710483D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 54 57 0 0 0 0 0 0 0 0999 V2000 3.2058 5.9128 0.0853 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0057 6.0962 1.4432 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0465 5.0090 2.2942 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2836 3.7479 1.7861 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4822 3.5587 0.4244 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4474 4.6395 -0.4268 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6647 4.5100 -1.9116 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7214 2.1526 -0.0604 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3356 2.1637 -1.4588 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4770 3.0613 -2.3575 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6738 1.4419 0.9033 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8569 0.0494 0.4728 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0281 -0.5531 1.1233 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3344 -1.9036 0.4727 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5360 -2.5216 1.1401 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1608 6.9806 -0.7541 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9031 8.2574 -0.1663 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6470 -0.7438 0.7278 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4201 -3.9271 2.8691 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3563 -3.3536 2.2441 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7800 -2.2638 0.6527 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9038 -2.8382 1.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7215 -3.6796 2.3982 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7870 -4.2286 2.9918 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1393 -2.6032 0.8165 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1698 -3.1537 1.4163 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9905 -3.9784 2.5293 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8190 7.0851 1.8352 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8936 5.1454 3.3545 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3154 2.8998 2.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9491 5.1431 -2.4362 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6765 4.8331 -2.1564 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7731 1.6159 -0.0887 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3512 2.5566 -1.4104 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3522 1.1505 -1.8604 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4280 2.7807 -2.2618 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 2.9525 -3.3948 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6373 1.9517 0.9039 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2530 1.4591 1.9086 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8871 0.1082 1.0096 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8200 -0.6993 2.1832 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4754 -2.5648 0.5865 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5426 -1.7574 -0.5872 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9354 8.2379 0.3351 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6835 8.4877 0.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8937 9.0205 -0.9446 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7914 -0.2648 0.2517 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7765 -1.7458 0.3187 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4753 -0.8094 1.8022 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2655 -4.5693 3.7235 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 -3.5455 2.6088 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9034 -1.6210 -0.2063 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1669 -2.9636 1.0474 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8501 -4.4222 3.0094 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 6 5 1 0 0 0 0 5 8 1 0 0 0 0 7 10 1 0 0 0 0 9 10 1 0 0 0 0 9 8 1 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 2 1 1 0 0 0 0 6 7 1 0 0 0 0 1 6 2 0 0 0 0 16 1 1 0 0 0 0 16 17 1 0 0 0 0 12 18 1 0 0 0 0 20 15 1 0 0 0 0 15 21 2 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 21 22 1 0 0 0 0 24 23 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 24 27 2 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 2 28 1 0 0 0 0 3 29 1 0 0 0 0 4 30 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 33 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 50 1 0 0 0 0 20 51 1 0 0 0 0 21 52 1 0 0 0 0 26 53 1 0 0 0 0 27 54 1 0 0 0 0 M END > (902) 930 > (902) C23H27N3O > (902) 361.47998 > (902) 75 > (902) 0.0444 > (902) 0 > (902) 9089327 > (902) 1997 > (902) serotonin reuptake inhibition > (902) SePos-900 $$$$ Structure493 Wcorina 01220710483D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 33 35 0 0 0 0 0 0 0 0999 V2000 -0.0164 1.3571 0.0095 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2064 -0.6941 -0.0128 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3972 -0.0066 -0.0205 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4015 1.3915 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1903 2.0889 0.0019 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3956 3.5283 0.0077 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7414 2.5312 -0.0192 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6576 3.9089 -0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2526 4.5103 0.0235 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1696 5.4789 1.2050 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5893 5.9896 -0.1748 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2237 5.8633 1.7068 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0982 6.6973 2.9096 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4725 7.9880 2.5923 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4035 6.8896 3.5555 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 1.8806 0.0168 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9286 -0.5519 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2081 -1.7741 -0.0179 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3316 -0.5481 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9826 4.9389 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6855 4.1470 -0.3963 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9417 5.4058 1.9709 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6375 6.2525 -0.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1272 6.5994 -0.7251 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7482 6.4212 0.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7851 4.9605 1.9476 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0835 8.5181 1.8617 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3917 8.5855 3.5003 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5218 7.8180 2.1795 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8128 5.9211 3.8429 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2817 7.5104 4.4431 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0844 7.3799 2.8598 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 8 1 0 0 0 0 6 5 1 0 0 0 0 7 6 1 0 0 0 0 7 9 2 0 0 0 0 8 9 1 0 0 0 0 10 12 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 7 10 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 1 17 1 0 0 0 0 2 18 1 0 0 0 0 3 19 1 0 0 0 0 4 20 1 0 0 0 0 9 21 1 0 0 0 0 10 22 1 0 0 0 0 11 23 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 M END > (904) 870 > (904) C14H17NS > (904) 231.35648 > (904) 6 > (904) 0.025 > (904) 0 > (904) 17766113 > (904) 2007 > (904) serotonin reuptake inhibition > (904) SePos-902 $$$$ Structure671 Wcorina 01220710483D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 58 61 0 0 0 0 0 0 0 0999 V2000 0.4214 3.3375 2.3461 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0740 2.0688 2.1118 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7409 1.1000 1.5625 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0635 1.3927 1.2423 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5597 2.6627 1.4722 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7367 3.6361 2.0262 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2229 4.8843 2.2550 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3234 5.8363 2.8264 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9833 3.0242 1.1321 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8355 0.4075 0.7142 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0436 0.7873 0.0538 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8135 1.7487 0.9673 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1104 2.0770 0.3605 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0242 0.9282 0.4175 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4241 1.3681 -0.0158 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4086 0.2159 0.1944 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7874 0.6491 -0.2325 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7661 1.3701 0.5849 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8965 1.5521 -0.2317 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6119 0.9792 -1.4524 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3536 0.4424 -1.4319 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7665 1.8548 1.8948 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8782 2.5097 2.3785 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9949 2.6888 1.5698 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0068 2.2191 0.2753 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8829 2.9806 3.6448 F 0 0 0 0 0 0 0 0 0 0 0 0 5.9413 2.5470 -1.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9982 3.6088 -1.3314 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8133 4.1085 -2.7657 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2167 4.0967 2.7738 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0991 1.8354 2.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3505 0.1096 1.3804 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8369 6.7889 2.9565 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4687 5.9719 2.1637 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9783 5.4743 3.7949 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0011 3.5913 0.2014 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4050 3.6305 1.9337 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6490 -0.0978 -0.1415 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8070 1.2855 -0.8864 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9699 1.2838 1.9407 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0631 0.5453 1.4373 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6660 0.1455 -0.2511 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4080 1.6444 -1.0701 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7361 2.2259 0.5799 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4247 -0.0604 1.2486 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0965 -0.6419 -0.4014 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2150 0.9569 -2.2118 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8845 -0.0696 -2.2591 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9003 1.7173 2.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8603 3.2040 1.9597 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8781 2.3675 -0.3453 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0568 1.7079 -1.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9473 2.9785 -1.1389 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8890 4.4435 -0.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9921 3.1746 -1.2233 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8193 4.5427 -2.8738 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5662 4.8650 -2.9868 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9224 3.2739 -3.4581 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 9 5 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 12 11 1 0 0 0 0 13 12 1 0 0 0 0 13 14 1 0 0 0 0 15 14 1 0 0 0 0 15 16 1 0 0 0 0 17 16 1 0 0 0 0 21 17 2 0 0 0 0 18 17 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 18 22 1 0 0 0 0 18 19 2 0 0 0 0 25 19 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 23 26 1 0 0 0 0 13 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 1 30 1 0 0 0 0 2 31 1 0 0 0 0 3 32 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 20 47 1 0 0 0 0 21 48 1 0 0 0 0 22 49 1 0 0 0 0 24 50 1 0 0 0 0 25 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 M END > (910) 534 > (910) C24H29FN2O2 > (910) 396.4976632 > (910) 16 > (910) 0.386 > (910) 9 > (910) 16854086 > (910) 2006 > (910) serotonin reuptake inhibition > (910) SePos-908 $$$$ Structure675 Wcorina 01220710483D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 59 63 0 0 0 0 0 0 0 0999 V2000 -0.0788 2.3688 0.3402 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2691 1.0275 0.6134 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8162 0.1795 0.6987 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1063 0.6679 0.5117 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2982 2.0088 0.2342 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2031 2.8604 0.1496 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3897 4.1791 -0.1209 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2209 4.9981 -0.1937 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6776 2.5770 0.0162 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1481 -0.1978 0.6156 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4061 0.2029 0.0712 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7263 1.6142 0.5787 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0630 2.0145 0.1192 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3508 3.4073 0.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3199 3.5494 2.0101 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6974 4.9809 2.3964 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6670 5.1209 3.8966 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7536 4.7970 4.8241 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2669 5.0890 6.1108 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9786 5.5551 5.9615 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6410 5.5716 4.6358 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0494 4.3009 4.6643 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8437 4.1008 5.7723 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3610 4.3900 7.0437 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0842 4.8763 7.2161 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0976 3.6208 5.6225 F 0 0 0 0 0 0 0 0 0 0 0 0 7.0932 1.1079 0.6434 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4211 -0.0624 -0.2987 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8952 0.1414 0.0888 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5293 1.6020 0.4017 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9282 3.0322 0.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2675 0.6429 0.7604 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6640 -0.8682 0.9121 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5104 6.0254 -0.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4341 4.6272 -0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3050 4.9664 0.7605 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8481 2.7158 -1.0513 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7583 3.5381 0.5239 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1835 -0.4890 0.3953 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3499 0.2088 -1.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6919 1.6289 1.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3376 3.6845 0.1161 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5996 4.0623 0.0456 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3174 3.3268 2.3755 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0315 2.8535 2.4544 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6999 5.2035 2.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9858 5.6768 1.9521 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3989 5.8331 6.6877 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6892 5.8967 4.2424 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4266 4.0751 3.6778 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9926 4.2288 7.9048 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7181 5.0936 8.2086 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9041 0.8021 1.6724 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0108 -1.0168 0.0313 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2120 0.1494 -1.3473 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1991 -0.4300 0.9659 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5856 0.0339 -0.7478 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6232 2.2688 -0.4554 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0137 1.9912 1.2972 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 9 5 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 12 11 1 0 0 0 0 13 12 1 0 0 0 0 13 14 1 0 0 0 0 15 14 1 0 0 0 0 15 16 1 0 0 0 0 17 16 1 0 0 0 0 21 17 2 0 0 0 0 18 17 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 18 22 1 0 0 0 0 18 19 2 0 0 0 0 25 19 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 23 26 1 0 0 0 0 13 27 1 0 0 0 0 27 30 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 1 31 1 0 0 0 0 2 32 1 0 0 0 0 3 33 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 41 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 20 48 1 0 0 0 0 21 49 1 0 0 0 0 22 50 1 0 0 0 0 24 51 1 0 0 0 0 25 52 1 0 0 0 0 27 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 M END > (912) 538 > (912) C25H29FN2O2 > (912) 408.5083632 > (912) 18 > (912) 0.4 > (912) 13 > (912) 16854086 > (912) 2006 > (912) serotonin reuptake inhibition > (912) SePos-910 $$$$ Structure679 Wcorina 01220710483D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 52 55 0 0 0 0 0 0 0 0999 V2000 -0.0166 1.3751 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2081 -0.6814 -0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4142 0.0205 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4039 1.3998 -0.0118 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1836 2.0854 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1671 3.5626 0.0079 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0076 4.2233 0.0207 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6833 2.1969 -0.0249 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5748 -0.6871 -0.0156 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7729 -0.0052 -0.3888 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8510 1.3051 0.4044 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1228 1.9825 0.1185 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2599 1.2038 0.6269 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5348 2.0450 0.5374 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9749 2.0626 0.9788 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4516 3.0302 1.9699 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6568 3.5465 1.4612 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8836 2.9295 0.2500 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8715 2.0495 -0.0202 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9648 3.4781 3.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6715 4.4257 3.9081 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8628 4.9351 3.4037 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3545 4.5021 2.1924 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2042 4.8622 5.0981 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2184 -2.0323 -0.0177 F 0 0 0 0 0 0 0 0 0 0 0 0 9.7192 1.2340 1.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2130 4.1822 0.0012 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2667 2.2469 -1.3194 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9584 1.9037 0.0169 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9263 -0.5559 0.0061 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8421 3.7289 0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0184 5.1933 0.0246 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8657 2.5736 -1.0314 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5950 3.0360 0.6652 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6371 -0.6274 -0.1561 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7537 0.2129 -1.4566 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7787 1.0931 1.4712 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0773 0.9303 1.6662 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3780 0.3003 0.0288 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7174 2.3185 -0.5018 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4167 2.9485 1.1355 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6470 3.0946 -0.3253 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8040 1.4352 -0.9059 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0395 3.0843 3.5938 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4079 5.6778 3.9674 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2811 4.9045 1.8104 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5366 0.9605 2.1062 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8373 0.3305 0.4689 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4483 2.8836 -1.6554 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2166 2.7489 -1.5032 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2420 1.3045 -1.8664 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 9 5 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 12 11 1 0 0 0 0 13 12 1 0 0 0 0 13 14 1 0 0 0 0 15 14 1 0 0 0 0 20 16 2 0 0 0 0 17 16 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 17 21 1 0 0 0 0 17 18 2 0 0 0 0 24 18 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 22 25 1 0 0 0 0 3 26 1 0 0 0 0 15 27 1 0 0 0 0 27 16 1 0 0 0 0 7 28 2 0 0 0 0 13 29 1 0 0 0 0 1 30 1 0 0 0 0 2 31 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 19 43 1 0 0 0 0 20 44 1 0 0 0 0 21 45 1 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 M END > (914) 542 > (914) C22H23F2N3O2 > (914) 399.4337264 > (914) 22 > (914) 0.116 > (914) 14.8 > (914) 16854086 > (914) 2006 > (914) serotonin reuptake inhibition > (914) SePos-912 $$$$ Structure681 Wcorina 01220710483D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 52 55 0 0 0 0 0 0 0 0999 V2000 0.5228 4.5525 1.8986 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1859 3.3753 1.7782 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4502 2.2231 1.3526 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8106 2.2390 1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5254 3.4132 1.1557 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8821 4.5790 1.5875 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6436 5.8387 1.7133 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0247 6.9616 2.1286 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9942 3.4764 0.8225 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 1.0803 0.6389 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6596 1.1646 -0.0214 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5820 2.0631 0.8117 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9227 2.0888 0.2120 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6252 0.8187 0.4386 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1219 1.0117 0.1864 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8613 -0.2456 0.5652 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0735 -1.4207 -0.2834 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8108 -2.3332 0.4928 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0237 -1.7430 1.7199 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4554 -0.4987 1.7421 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7074 -1.7524 -1.5894 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0725 -2.9754 -2.1098 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8010 -3.8758 -1.3414 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1654 -3.5632 -0.0503 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7201 -3.3007 -3.3728 F 0 0 0 0 0 0 0 0 0 0 0 0 5.8524 2.4031 -1.2213 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0845 3.2147 -1.6264 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2505 1.0738 1.2372 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8285 5.8623 1.4423 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0254 5.4525 2.2287 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2389 3.3530 2.0169 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0793 6.9427 2.3449 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5247 7.7887 2.2112 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1241 3.9307 -0.1598 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5102 4.0781 1.5707 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0960 0.1695 -0.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5271 1.5949 -1.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6421 1.6823 1.8313 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4689 0.4956 1.4678 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2366 0.0619 -0.2429 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2877 1.2267 -0.8692 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4875 1.8435 0.7884 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5075 -2.1480 2.4567 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4790 0.1787 2.5829 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1411 -1.0546 -2.1884 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0812 -4.8314 -1.7596 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7283 -4.2720 0.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8225 1.4770 -1.7953 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9523 2.9842 -1.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9865 3.5298 -2.6653 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1673 4.0933 -0.9866 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9773 2.5994 -1.5161 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 9 5 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 12 11 1 0 0 0 0 13 12 1 0 0 0 0 13 14 1 0 0 0 0 15 14 1 0 0 0 0 15 16 1 0 0 0 0 20 16 2 0 0 0 0 17 16 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 17 21 2 0 0 0 0 17 18 1 0 0 0 0 24 18 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 22 25 1 0 0 0 0 13 26 1 0 0 0 0 26 27 1 0 0 0 0 3 28 1 0 0 0 0 7 29 2 0 0 0 0 1 30 1 0 0 0 0 2 31 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 19 43 1 0 0 0 0 20 44 1 0 0 0 0 21 45 1 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 M END > (915) 544 > (915) C22H23F2N3O2 > (915) 399.4337264 > (915) 27 > (915) 0.883 > (915) 60.2 > (915) 16854086 > (915) 2006 > (915) serotonin reuptake inhibition > (915) SePos-913 $$$$ Structure687 Wcorina 01220710483D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 61 64 0 0 0 0 0 0 0 0999 V2000 -1.0764 2.6360 2.0507 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4765 1.3353 2.3577 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6253 0.2791 2.1098 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6234 0.5087 1.5599 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0336 1.8061 1.2523 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1863 2.8678 1.4939 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5866 4.2844 1.1689 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2733 1.9850 0.7242 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5507 3.2272 0.0764 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1061 4.3659 1.0033 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4517 -0.5312 1.3195 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.9889 3.7690 2.3079 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6407 4.9026 2.0406 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2073 3.5458 2.8390 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4710 5.6590 0.4093 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9230 5.8739 0.4669 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2431 7.3102 0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7337 7.5829 0.2593 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0538 9.0192 -0.1597 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5219 9.2878 0.0485 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0848 9.8546 1.1274 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6060 8.9742 -0.8855 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7918 9.4046 -0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4401 9.9350 0.9584 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6558 8.3845 -2.1506 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8705 8.2285 -2.7821 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0419 8.6545 -2.1663 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0071 9.2407 -0.9206 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9235 7.6582 -4.0057 F 0 0 0 0 0 0 0 0 0 0 0 0 1.9778 5.7624 -0.9706 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5879 7.2122 -1.2656 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0611 7.3172 -2.6982 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4503 1.1560 2.7889 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9337 -0.7287 2.3454 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1036 4.5942 0.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2740 4.9444 1.9782 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 3.3088 -0.1186 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0004 3.2824 -0.8629 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5880 4.2589 1.9751 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4851 2.6412 3.0523 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8065 4.2897 3.0079 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2752 5.7052 1.4846 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4203 5.1787 -0.2095 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9946 7.4455 -1.0046 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6577 8.0037 0.6516 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9822 7.4475 1.3119 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3191 6.8893 -0.3443 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8053 9.1546 -1.2123 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4684 9.7127 0.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5474 10.1967 1.9994 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0610 10.3078 1.6037 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7474 8.0523 -2.6311 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9883 8.5267 -2.6707 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9232 9.5678 -0.4515 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7612 5.4492 -1.6608 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1064 5.1195 -1.0941 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8117 7.5286 -0.5689 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4618 7.8538 -1.1518 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7834 8.3501 -2.9083 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8374 7.0008 -3.3949 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1873 6.6757 -2.8119 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 7 6 1 0 0 0 0 6 5 1 0 0 0 0 5 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 4 11 1 0 0 0 0 1 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 15 10 1 0 0 0 0 10 9 1 0 0 0 0 15 16 1 0 0 0 0 17 16 1 0 0 0 0 17 18 1 0 0 0 0 19 18 1 0 0 0 0 19 20 1 0 0 0 0 21 20 2 0 0 0 0 20 22 1 0 0 0 0 21 24 1 0 0 0 0 23 24 1 0 0 0 0 22 25 1 0 0 0 0 22 23 2 0 0 0 0 28 23 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 26 29 1 0 0 0 0 15 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 2 33 1 0 0 0 0 3 34 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 21 50 1 0 0 0 0 24 51 1 0 0 0 0 25 52 1 0 0 0 0 27 53 1 0 0 0 0 28 54 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 32 59 1 0 0 0 0 32 60 1 0 0 0 0 32 61 1 0 0 0 0 M END > (917) 550 > (917) C25H29F2N3O2 > (917) 441.5134664 > (917) 30 > (917) 0.217 > (917) 12.2 > (917) 16854086 > (917) 2006 > (917) serotonin reuptake inhibition > (917) SePos-915 $$$$ Structure691 Wcorina 01220710483D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 62 66 0 0 0 0 0 0 0 0999 V2000 0.2916 1.3020 0.4887 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2546 0.0071 1.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3570 -0.5022 1.6598 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4962 0.2696 1.8037 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5416 1.5667 1.2921 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4442 2.0822 0.6337 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4538 3.4756 0.0584 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6777 2.2922 1.4670 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 3.4459 0.6467 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5852 4.2879 0.6934 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5724 -0.2363 2.4448 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 1.8479 -0.2186 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8534 2.9762 -0.6700 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9934 1.0949 -0.3635 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7834 5.5337 -0.0593 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5064 6.2268 -0.2757 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7197 7.4023 -1.2315 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4211 8.2020 -1.3542 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6344 9.3775 -2.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6447 10.1652 -2.4308 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5825 10.0241 -3.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1033 11.2255 -1.5302 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3390 11.6621 -2.0405 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6015 10.9113 -3.1659 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5785 11.8123 -0.3765 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2778 12.8177 0.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4992 13.2482 -0.2509 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0268 12.6808 -1.3894 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7742 13.3879 1.3715 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7497 6.4093 0.6169 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2218 5.9936 0.5863 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7429 7.1752 -0.2594 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6535 6.9704 -1.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6353 -0.5949 0.8961 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3309 -1.5049 2.0602 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6066 3.4219 -1.0195 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4994 3.9599 0.2651 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7048 4.0316 1.0243 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0663 3.1379 -0.3797 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3348 4.5199 1.7286 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0186 0.1946 -0.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7659 1.4533 -0.8279 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7852 5.5332 -0.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 6.5972 0.6771 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5083 8.0473 -0.8439 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0082 7.0252 -2.2126 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3675 7.5571 -1.7418 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1326 8.5792 -0.3731 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4230 10.0225 -1.9224 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9229 9.0003 -3.2911 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5388 9.3154 -4.1948 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3919 10.9976 -3.7216 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3699 11.4795 0.0187 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0385 14.0368 0.2528 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9764 13.0229 -1.7735 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3854 6.9052 1.5167 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8261 6.2162 1.4657 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4733 5.0703 0.0644 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0320 8.1753 0.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7298 7.4132 -2.1457 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5061 7.4487 -2.2553 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6611 5.9036 -1.9964 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 7 6 1 0 0 0 0 6 5 1 0 0 0 0 5 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 4 11 1 0 0 0 0 1 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 15 10 1 0 0 0 0 10 9 1 0 0 0 0 15 16 1 0 0 0 0 17 16 1 0 0 0 0 17 18 1 0 0 0 0 19 18 1 0 0 0 0 19 20 1 0 0 0 0 21 20 2 0 0 0 0 20 22 1 0 0 0 0 21 24 1 0 0 0 0 23 24 1 0 0 0 0 22 25 1 0 0 0 0 22 23 2 0 0 0 0 28 23 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 26 29 1 0 0 0 0 15 30 1 0 0 0 0 31 30 1 0 0 0 0 30 32 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 2 34 1 0 0 0 0 3 35 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 21 51 1 0 0 0 0 24 52 1 0 0 0 0 25 53 1 0 0 0 0 27 54 1 0 0 0 0 28 55 1 0 0 0 0 30 56 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 32 59 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 33 62 1 0 0 0 0 M END > (918) 554 > (918) C26H29F2N3O2 > (918) 453.5241664 > (918) 32 > (918) 0.0824 > (918) 3.3 > (918) 16854086 > (918) 2006 > (918) serotonin reuptake inhibition > (918) SePos-916 $$$$ Structure516 Wcorina 01220710483D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 43 45 0 0 0 0 0 0 0 0999 V2000 0.2942 4.6889 1.9222 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2379 3.9310 0.7674 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9804 3.4736 0.2991 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 3.7753 0.9876 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0853 4.5336 2.1428 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8667 4.9900 2.6095 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3461 3.3009 -2.2313 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3496 3.9804 -1.3929 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5041 3.6036 0.0186 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1380 1.7733 -2.1793 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8327 1.3602 -3.6351 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4400 2.4332 -4.4639 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1490 3.6823 -3.7142 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4266 5.4378 -1.5601 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0516 2.5223 -1.1513 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.6735 3.2024 0.4008 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.6583 7.5059 -0.9001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4297 8.0413 -0.4041 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2723 7.6068 -1.1209 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1497 6.0845 -1.0145 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6316 5.9796 -0.7848 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2462 5.0421 2.2901 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9920 4.7695 2.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8216 5.5818 3.5117 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3537 3.5571 -1.9036 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3367 4.1568 0.4532 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7020 2.5341 0.0895 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0440 1.2795 -1.8278 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2964 1.5277 -1.5316 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2927 0.3984 -3.8618 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7561 1.3160 -3.7999 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4345 2.2943 -4.5631 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1220 4.0015 -3.8913 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8472 4.4689 -4.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5339 5.6783 -2.6178 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7828 7.7894 -1.9452 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4891 7.9001 -0.3149 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6157 8.0736 -0.6948 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3656 7.8916 -2.1689 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7073 5.7465 -1.5971 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0158 5.8019 0.0296 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5478 5.6949 0.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5495 5.5666 -1.2031 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 9 2 1 0 0 0 0 2 1 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 10 11 1 0 0 0 0 10 7 1 0 0 0 0 13 7 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 8 14 1 0 0 0 0 3 15 1 0 0 0 0 4 16 1 0 0 0 0 20 14 1 0 0 0 0 14 21 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 1 22 1 0 0 0 0 5 23 1 0 0 0 0 6 24 1 0 0 0 0 7 25 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 M END > (920) 891 > (920) C16H22Cl2N2O > (920) 329.26468 > (920) 10 > (920) 0.01 > (920) 0 > (920) 17267217 > (920) 2007 > (920) serotonin reuptake inhibition > (920) SePos-918 $$$$ Structure529 Wcorina 01220710483D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 36 37 0 0 0 0 0 0 0 0999 V2000 -2.0478 0.9140 -0.5385 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2353 1.0280 -1.2375 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8561 -0.1018 -1.7355 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2892 -1.3478 -1.5351 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0999 -1.4619 -0.8357 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4800 -0.3299 -0.3374 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3689 2.1474 -0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8754 2.4343 1.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7911 3.7303 3.4004 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8044 2.9602 3.9393 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3498 1.9234 3.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8852 1.6603 1.9302 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3267 3.4675 2.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2894 5.8699 -0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2218 4.3072 1.5374 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7795 5.2074 0.5193 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0690 -2.7674 -2.1600 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.3875 -3.0247 -0.5829 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.6828 6.1938 1.1268 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6781 2.0005 -1.3941 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7841 -0.0121 -2.2807 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5523 -0.4182 0.2083 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2916 1.9844 0.0312 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5887 2.9951 -0.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3651 4.5402 3.9739 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1672 3.1655 4.9356 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1416 1.3216 3.6261 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3112 0.8504 1.3566 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9022 5.1176 -0.7367 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1512 6.5304 -0.9868 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9103 6.4532 0.4399 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2457 4.8962 2.3264 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5237 3.6575 1.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1357 6.8022 0.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4646 5.6765 1.6829 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1184 6.8346 1.8042 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 12 8 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 13 15 1 0 0 0 0 9 13 1 0 0 0 0 14 16 1 0 0 0 0 15 16 1 0 0 0 0 4 17 1 0 0 0 0 5 18 1 0 0 0 0 16 19 1 0 0 0 0 2 20 1 0 0 0 0 3 21 1 0 0 0 0 6 22 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 9 25 1 0 0 0 0 10 26 1 0 0 0 0 11 27 1 0 0 0 0 12 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 M END > (922) 904 > (922) C16H17Cl2N > (922) 294.21888 > (922) 3 > (922) 0.005 > (922) 0 > (922) 18571404 > (922) 2008 > (922) serotonin reuptake inhibition > (922) SePos-920 $$$$ Structure530 Wcorina 01220710483D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 39 40 0 0 0 0 0 0 0 0999 V2000 -0.6275 0.4191 -0.2173 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0946 -0.8770 -0.0998 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2063 -1.9357 -0.1061 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1511 -1.6991 -0.2304 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6188 -0.4014 -0.3485 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7282 0.6573 -0.3416 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5977 1.5722 -0.2161 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4405 2.3596 1.0592 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3242 3.1142 3.1526 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1523 3.8045 3.3985 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1263 3.7769 2.4723 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2705 3.0547 1.3026 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4682 2.3915 1.9828 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1838 3.5331 1.2601 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7460 1.6388 1.7146 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5268 2.3482 0.6924 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2674 -3.0286 -0.2378 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3218 -0.1027 -0.5040 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.5074 1.4531 0.0637 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3126 2.4798 -1.4144 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1541 -1.0621 -0.0027 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5717 -2.9478 -0.0136 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0923 1.6699 -0.4336 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6163 1.1901 -0.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1257 3.1358 3.8761 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0398 4.3691 4.3123 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7894 4.3163 2.6644 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5310 3.0332 0.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4276 4.2542 1.5704 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8303 3.9855 0.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7811 3.2389 2.1231 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5091 0.6358 1.3597 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3275 1.5710 2.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0717 2.0037 -0.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9877 0.6199 -0.4093 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1902 1.0716 0.8228 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4263 1.9103 -2.3367 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0143 3.3139 -1.4135 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2940 2.8619 -1.3465 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 12 8 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 13 15 1 0 0 0 0 9 13 1 0 0 0 0 14 16 1 0 0 0 0 15 16 1 0 0 0 0 4 17 1 0 0 0 0 5 18 1 0 0 0 0 16 19 1 0 0 0 0 7 20 1 0 0 0 0 2 21 1 0 0 0 0 3 22 1 0 0 0 0 6 23 1 0 0 0 0 7 24 1 0 0 0 0 9 25 1 0 0 0 0 10 26 1 0 0 0 0 11 27 1 0 0 0 0 12 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 M END > (923) 905 > (923) C17H19Cl2N > (923) 308.24546 > (923) 4 > (923) 0.04 > (923) 0 > (923) 18571404 > (923) 2008 > (923) serotonin reuptake inhibition > (923) SePos-921 $$$$ Structure533 Wcorina 01220710483D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 35 36 0 0 0 0 0 0 0 0999 V2000 -1.3907 1.8408 -1.7847 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2023 0.4632 -1.9248 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4728 -0.1479 -3.1304 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9307 0.6004 -4.2027 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1199 1.9675 -4.0708 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8526 2.5907 -2.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1084 2.5002 -0.4938 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2846 3.9607 -0.3561 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7243 5.8748 -0.1717 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6149 6.6984 -0.0991 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3408 6.1610 -0.1596 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1690 4.7987 -0.2875 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5672 4.5103 -0.2998 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2124 2.1886 1.4942 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7767 3.6149 -0.3793 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1575 3.1851 0.9728 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2685 -0.1768 -5.7178 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.6940 2.8969 -5.4200 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.5323 2.6679 0.9933 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7310 1.8414 0.4555 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8451 -0.1216 -1.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3272 -1.2124 -3.2395 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0004 3.6556 -2.7669 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7156 6.3008 -0.1236 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7437 7.7660 0.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5208 6.8097 -0.1026 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8257 4.3807 -0.3343 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2469 2.6620 1.6724 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5947 1.7796 2.4294 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0943 1.3848 0.7675 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6037 4.1608 -0.8333 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5421 2.7403 -0.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7884 2.3568 2.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2193 3.4494 0.6685 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6092 1.8138 0.3204 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 12 8 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 13 15 1 0 0 0 0 9 13 1 0 0 0 0 14 16 1 0 0 0 0 15 16 1 0 0 0 0 4 17 1 0 0 0 0 5 18 1 0 0 0 0 16 19 1 0 0 0 0 7 20 2 0 0 0 0 2 21 1 0 0 0 0 3 22 1 0 0 0 0 6 23 1 0 0 0 0 9 24 1 0 0 0 0 10 25 1 0 0 0 0 11 26 1 0 0 0 0 12 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 M END > (925) 907 > (925) C16H15Cl2NO > (925) 308.2024 > (925) 7 > (925) 0.05 > (925) 0 > (925) 18571404 > (925) 2008 > (925) serotonin reuptake inhibition > (925) SePos-923 $$$$ Structure534 Wcorina 01220710483D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 40 41 0 0 0 0 0 0 0 0999 V2000 1.2129 1.1811 0.8495 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5384 -0.1267 1.1584 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8484 -0.4668 1.4352 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8378 0.5051 1.4029 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5086 1.8167 1.0927 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1971 2.1516 0.8168 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2160 1.5481 0.5419 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9487 1.8353 1.8271 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6072 3.3740 3.5393 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2925 2.3622 4.1851 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3015 1.0855 3.6548 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6295 0.8220 2.4761 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9354 3.1105 2.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7475 6.0376 1.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1882 4.2137 1.6559 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4346 5.4883 2.3433 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6363 6.4537 2.0622 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1272 0.1732 1.6752 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0927 1.2253 1.6234 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7549 2.2145 2.5532 F 0 0 0 0 0 0 0 0 0 0 0 0 7.3583 0.7122 1.9275 F 0 0 0 0 0 0 0 0 0 0 0 0 6.1104 1.7792 0.3389 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7677 -0.8830 1.1837 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1020 -1.4885 1.6767 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2770 2.5752 1.0674 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9404 3.1724 0.5749 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2350 2.4339 -0.0929 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7006 0.7200 0.0247 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6001 4.3713 3.9536 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8172 2.5680 5.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8369 0.2949 4.1594 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6365 -0.1754 2.0618 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5323 5.3721 2.3384 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8687 7.0210 2.4333 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8156 6.1275 0.8948 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8796 3.9947 1.6683 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5325 4.2847 0.6242 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4289 7.3884 2.5833 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5888 6.0499 2.4056 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6860 6.6391 0.9893 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 12 8 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 13 15 1 0 0 0 0 9 13 1 0 0 0 0 14 16 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 4 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 2 23 1 0 0 0 0 3 24 1 0 0 0 0 5 25 1 0 0 0 0 6 26 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 12 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 M END > (926) 908 > (926) C17H18F3NO > (926) 309.3261296 > (926) 8 > (926) 0.045 > (926) 0 > (926) 18571404 > (926) 2008 > (926) serotonin reuptake inhibition > (926) SePos-924 $$$$