Wcorina 06010716263D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 46 49 0 0 0 0 0 0 0 0999 V2000 0.2687 1.6757 -2.6914 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1775 0.3589 -2.6475 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0963 -0.3987 -2.0885 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 0.1431 -1.5326 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3175 1.5419 -1.5569 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3131 2.3079 -2.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2774 -0.3655 -0.8934 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1131 0.6476 -0.5073 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5869 1.8395 -0.8815 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4054 3.6875 -2.2113 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1775 3.1804 -0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6179 3.5431 0.6182 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1668 4.7911 0.8266 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2809 5.6859 -0.2288 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8428 5.3280 -1.4967 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2988 4.0792 -1.7129 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8221 6.9149 -0.0202 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9841 7.9344 0.3032 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6362 7.6847 0.5181 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7865 8.7229 0.8472 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2780 10.0102 0.9621 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6207 10.2619 0.7481 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4758 9.2263 0.4248 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5230 -1.7901 -0.6559 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8293 -2.2028 -1.3372 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6299 -2.0453 0.8488 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6869 -0.1153 -3.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0490 0.5171 0.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7031 4.2060 -2.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1723 4.1362 -1.8222 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5291 2.8476 1.4397 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5078 5.0727 1.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9326 6.0264 -2.3155 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9626 3.7996 -2.7005 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2516 6.6795 0.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7373 8.5290 1.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6119 10.8205 1.2192 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0020 11.2683 0.8381 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5252 9.4227 0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6991 -2.3741 -1.0659 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6533 -1.6188 -0.9272 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0121 -3.2628 -1.1606 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7532 -2.0210 -2.4093 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8127 -3.1053 1.0255 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4538 -1.4613 1.2588 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6993 -1.7513 1.3342 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 2 3 1 0 0 0 0 2 27 1 0 0 0 0 3 4 2 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 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 8 9 2 0 0 0 0 8 28 1 0 0 0 0 9 11 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 13 14 2 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 21 2 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 22 23 2 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 M END > (385) 385 > (385) C21H20N4O > (385) 344.4097 > (385) 11012021-5 > (385) 11012021 > (385) 5 > (385) 48 > (385) src > (385) 2000 > (385) 0 $$$$ Wcorina 06010716263D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 50 54 0 0 0 0 0 0 0 0999 V2000 0.2687 1.6757 -2.6914 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1775 0.3589 -2.6475 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0963 -0.3987 -2.0885 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 0.1431 -1.5326 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3175 1.5419 -1.5569 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3131 2.3079 -2.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2774 -0.3655 -0.8934 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1131 0.6476 -0.5073 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5869 1.8395 -0.8815 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4054 3.6875 -2.2113 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1775 3.1804 -0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6179 3.5431 0.6182 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1668 4.7911 0.8266 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2809 5.6859 -0.2288 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8428 5.3280 -1.4967 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2988 4.0792 -1.7129 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8221 6.9149 -0.0202 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9841 7.9344 0.3032 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6362 7.6847 0.5181 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7865 8.7229 0.8472 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2780 10.0102 0.9621 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6207 10.2619 0.7481 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4758 9.2263 0.4248 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5230 -1.7901 -0.6559 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8349 -2.2193 -1.3361 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7669 -2.7258 -0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8020 -3.1407 0.9223 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7037 -2.0507 0.8538 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6869 -0.1153 -3.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0490 0.5171 0.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7031 4.2060 -2.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1723 4.1362 -1.8222 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5291 2.8476 1.4397 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5078 5.0727 1.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9326 6.0264 -2.3155 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9626 3.7996 -2.7005 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2516 6.6795 0.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7373 8.5290 1.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6119 10.8205 1.2192 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0020 11.2683 0.8381 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5252 9.4227 0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6921 -2.3812 -1.0408 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6406 -3.0193 -2.0505 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2887 -1.3676 -1.8429 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3439 -3.5846 -0.5591 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4303 -1.9281 0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3797 -4.1272 0.7305 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3096 -3.1175 1.8866 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0339 -1.1440 1.3606 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 -2.4169 1.2915 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 2 3 1 0 0 0 0 2 29 1 0 0 0 0 3 4 2 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 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 8 9 2 0 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 21 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 23 2 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 28 1 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 27 28 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 28 50 1 0 0 0 0 M END > (386) 386 > (386) C23H22N4O > (386) 370.44698 > (386) 11012021-6 > (386) 11012021 > (386) 6 > (386) 70 > (386) src > (386) 2000 > (386) 0 $$$$ Wcorina 06010716263D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 51 55 0 0 0 0 0 0 0 0999 V2000 0.2687 1.6757 -2.6914 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1775 0.3589 -2.6475 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0963 -0.3987 -2.0885 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 0.1431 -1.5326 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3175 1.5419 -1.5569 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3131 2.3079 -2.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2774 -0.3655 -0.8934 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1131 0.6476 -0.5073 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5869 1.8395 -0.8815 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4054 3.6875 -2.2113 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1775 3.1804 -0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6179 3.5431 0.6182 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1668 4.7911 0.8266 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2809 5.6859 -0.2288 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8428 5.3280 -1.4967 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2988 4.0792 -1.7129 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8221 6.9149 -0.0202 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9841 7.9344 0.3032 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6362 7.6847 0.5181 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7865 8.7229 0.8472 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2780 10.0102 0.9621 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6207 10.2619 0.7481 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4758 9.2263 0.4248 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5230 -1.7901 -0.6559 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8564 -2.2121 -1.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4595 -3.2328 -0.3103 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0830 -2.6301 1.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6671 -2.0558 0.8528 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5191 -0.8353 1.5812 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6869 -0.1153 -3.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0490 0.5171 0.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7031 4.2060 -2.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1723 4.1362 -1.8222 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5291 2.8476 1.4397 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5078 5.0727 1.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9326 6.0264 -2.3155 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9626 3.7996 -2.7005 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2516 6.6795 0.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7373 8.5290 1.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6119 10.8205 1.2192 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0020 11.2683 0.8381 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5252 9.4227 0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7043 -2.3829 -1.0637 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6768 -2.6831 -2.2734 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5161 -1.3515 -1.4177 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0040 -4.2145 -0.4397 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5421 -3.2901 -0.4237 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0687 -3.4061 1.8313 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7792 -1.8369 1.3385 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9184 -2.7782 1.1779 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5998 -0.9369 2.5394 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 2 3 1 0 0 0 0 2 30 1 0 0 0 0 3 4 2 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 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 8 9 2 0 0 0 0 8 31 1 0 0 0 0 9 11 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 28 1 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 M END > (387) 387 > (387) C23H22N4O2 > (387) 386.44638 > (387) 11012021-7 > (387) 11012021 > (387) 7 > (387) 40 > (387) src > (387) 2000 > (387) 0 $$$$ Wcorina 06010716263D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 51 55 0 0 0 0 0 0 0 0999 V2000 0.2687 1.6757 -2.6914 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1775 0.3589 -2.6475 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0963 -0.3987 -2.0885 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 0.1431 -1.5326 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3175 1.5419 -1.5569 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3131 2.3079 -2.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2774 -0.3655 -0.8934 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1131 0.6476 -0.5073 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5869 1.8395 -0.8815 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4054 3.6875 -2.2113 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1775 3.1804 -0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6179 3.5431 0.6182 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1668 4.7911 0.8266 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2809 5.6859 -0.2288 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8428 5.3280 -1.4967 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2988 4.0792 -1.7129 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8221 6.9149 -0.0202 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9841 7.9344 0.3032 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6362 7.6847 0.5181 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7865 8.7229 0.8472 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2780 10.0102 0.9621 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6207 10.2619 0.7481 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4758 9.2263 0.4248 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5230 -1.7901 -0.6559 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8590 -2.2321 -1.3032 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2748 -3.4805 -0.4979 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5800 -3.3721 0.8708 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7662 -2.0617 0.8494 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7076 -4.4869 1.0665 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6869 -0.1153 -3.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0490 0.5171 0.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7031 4.2060 -2.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1723 4.1362 -1.8222 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5291 2.8476 1.4397 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5078 5.0727 1.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9326 6.0264 -2.3155 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9626 3.7996 -2.7005 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2516 6.6795 0.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7373 8.5290 1.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6119 10.8205 1.2192 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0020 11.2683 0.8381 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5252 9.4227 0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6947 -2.3911 -1.0309 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7086 -2.4874 -2.3521 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6088 -1.4472 -1.2044 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9465 -4.3833 -1.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3568 -3.4971 -0.3671 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3248 -3.3363 1.6658 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3396 -1.2493 1.2959 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8184 -2.1927 1.3714 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1575 -5.3429 1.0682 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 2 3 1 0 0 0 0 2 30 1 0 0 0 0 3 4 2 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 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 8 9 2 0 0 0 0 8 31 1 0 0 0 0 9 11 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 28 1 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 M END > (388) 388 > (388) C23H22N4O2 > (388) 386.44638 > (388) 11012021-8 > (388) 11012021 > (388) 8 > (388) 88 > (388) src > (388) 2000 > (388) 0 $$$$ Wcorina 06010716263D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 52 56 0 0 0 0 0 0 0 0999 V2000 0.2687 1.6757 -2.6914 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1775 0.3589 -2.6475 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0963 -0.3987 -2.0885 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 0.1431 -1.5326 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3175 1.5419 -1.5569 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3131 2.3079 -2.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2774 -0.3655 -0.8934 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1131 0.6476 -0.5073 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5869 1.8395 -0.8815 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4054 3.6875 -2.2113 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1775 3.1804 -0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6179 3.5431 0.6182 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1668 4.7911 0.8266 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2809 5.6859 -0.2288 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8428 5.3280 -1.4967 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2988 4.0792 -1.7129 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8221 6.9149 -0.0202 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9841 7.9344 0.3032 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6362 7.6847 0.5181 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7865 8.7229 0.8472 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2780 10.0102 0.9621 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6207 10.2619 0.7481 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4758 9.2263 0.4248 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5230 -1.7901 -0.6559 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8349 -2.2193 -1.3361 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7669 -2.7258 -0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8020 -3.1407 0.9223 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7037 -2.0507 0.8538 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2484 -4.4339 0.6708 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5233 -3.8517 -0.6657 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6869 -0.1153 -3.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0490 0.5171 0.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7031 4.2060 -2.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1723 4.1362 -1.8222 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5291 2.8476 1.4397 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5078 5.0727 1.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9326 6.0264 -2.3155 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9626 3.7996 -2.7005 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2516 6.6795 0.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7373 8.5290 1.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6119 10.8205 1.2192 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0020 11.2683 0.8381 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5252 9.4227 0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6921 -2.3812 -1.0408 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6406 -3.0193 -2.0505 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2887 -1.3676 -1.8429 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4303 -1.9281 0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3096 -3.1175 1.8866 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0339 -1.1440 1.3606 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 -2.4169 1.2915 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9064 -5.1410 0.6233 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1265 -4.2111 -0.0009 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 2 3 1 0 0 0 0 2 31 1 0 0 0 0 3 4 2 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 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 8 9 2 0 0 0 0 8 32 1 0 0 0 0 9 11 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 28 1 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 26 30 1 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 30 52 1 0 0 0 0 M END > (389) 389 > (389) C23H22N4O3 > (389) 402.44578 > (389) 11012021-9 > (389) 11012021 > (389) 9 > (389) 84 > (389) src > (389) 2000 > (389) 0 $$$$ Wcorina 06010716263D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 49 52 0 0 0 0 0 0 0 0999 V2000 0.2687 1.6757 -2.6914 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1775 0.3589 -2.6475 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0963 -0.3987 -2.0885 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 0.1431 -1.5326 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3175 1.5419 -1.5569 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3131 2.3079 -2.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2774 -0.3655 -0.8934 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1131 0.6476 -0.5073 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5869 1.8395 -0.8815 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4054 3.6875 -2.2113 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1775 3.1804 -0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6179 3.5431 0.6182 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1668 4.7911 0.8266 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2809 5.6859 -0.2288 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8428 5.3280 -1.4967 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2988 4.0792 -1.7129 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8221 6.9149 -0.0202 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9841 7.9344 0.3032 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6362 7.6847 0.5181 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7865 8.7229 0.8472 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2780 10.0102 0.9621 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6207 10.2619 0.7481 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4758 9.2263 0.4248 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5230 -1.7901 -0.6559 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8506 -1.9621 0.0849 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3878 -2.3692 0.1907 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5873 -2.5267 -1.9954 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6869 -0.1153 -3.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0490 0.5171 0.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7031 4.2060 -2.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1723 4.1362 -1.8222 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5291 2.8476 1.4397 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5078 5.0727 1.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9326 6.0264 -2.3155 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9626 3.7996 -2.7005 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2516 6.6795 0.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7373 8.5290 1.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6119 10.8205 1.2192 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0020 11.2683 0.8381 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5252 9.4227 0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8049 -1.4374 1.0391 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0334 -3.0221 0.2615 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6594 -1.5496 -0.5183 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4420 -2.2466 -0.3371 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5706 -3.4291 0.3674 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3421 -1.8444 1.1449 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3960 -2.1141 -2.5985 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7700 -3.5867 -1.8187 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6415 -2.4041 -2.5232 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 2 3 1 0 0 0 0 2 28 1 0 0 0 0 3 4 2 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 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 8 9 2 0 0 0 0 8 29 1 0 0 0 0 9 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 14 2 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 34 1 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 M END > (399) 399 > (399) C22H22N4O > (399) 358.43628 > (399) 11012022-14 > (399) 11012022 > (399) 610 > (399) 75 > (399) src > (399) 2000 > (399) 0 $$$$ Wcorina 06010716263D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 50 53 0 0 0 0 0 0 0 0999 V2000 0.2686 1.6755 -2.6916 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1775 0.3587 -2.6477 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0965 -0.3989 -2.0891 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1794 0.1429 -1.5331 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3174 1.5418 -1.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3130 2.3078 -2.1632 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2777 -0.3656 -0.8942 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1133 0.6475 -0.5079 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5869 1.8395 -0.8817 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4052 3.6873 -2.2115 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1774 3.1804 -0.6543 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6179 3.5431 0.6178 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1668 4.7912 0.8261 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2808 5.6859 -0.2294 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8427 5.3279 -1.4973 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2986 4.0791 -1.7134 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8220 6.9149 -0.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9836 7.9350 0.3026 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6362 7.6840 0.5173 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7845 8.7205 0.8459 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2763 10.0123 0.9613 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6234 10.2634 0.7467 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4764 9.2262 0.4236 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4376 11.0327 1.2845 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5236 -1.7902 -0.6569 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8513 -1.9622 0.0836 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3885 -2.3695 0.1899 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 -2.5267 -1.9965 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6871 -0.1155 -3.0882 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0493 0.5171 0.0149 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7030 4.2059 -2.6344 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1721 4.1360 -1.8223 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5292 2.8477 1.4393 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5078 5.0729 1.8113 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9321 6.0264 -2.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9627 3.7993 -2.7009 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2532 6.6783 0.4271 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7355 8.5252 1.0127 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0062 11.2693 0.8366 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5262 9.4210 0.2612 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3571 11.1896 2.2352 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8058 -1.4375 1.0379 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0342 -3.0222 0.2601 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6599 -1.5495 -0.5197 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4426 -2.2469 -0.3376 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5714 -3.4294 0.3664 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -1.8448 1.1442 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3961 -2.1140 -2.5997 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7704 -3.5867 -1.8199 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6416 -2.4042 -2.5240 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 2 3 1 0 0 0 0 2 29 1 0 0 0 0 3 4 2 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 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 8 9 2 0 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 21 2 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 M END > (400) 400 > (400) C22H22N4O2 > (400) 374.43568 > (400) 11012022-16 > (400) 11012022 > (400) 16 > (400) 250 > (400) src > (400) 2000 > (400) 0 $$$$ Wcorina 06010716263D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 51 54 0 0 0 0 0 0 0 0999 V2000 0.5023 0.8369 -0.4457 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5303 -0.4160 -0.0293 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5631 -0.9324 0.6010 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6458 -0.1968 0.8499 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6593 1.1430 0.4241 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5362 1.6492 -0.2434 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8429 -0.4421 1.4665 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6225 0.6831 1.4538 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9599 1.6891 0.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5035 2.9611 -0.6815 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4519 3.0697 0.6078 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9856 3.8019 1.6675 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4428 5.0857 1.4556 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3716 5.6493 0.1888 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8403 4.9230 -0.8685 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3871 3.6365 -0.6644 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8225 6.9147 -0.0167 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1330 7.0809 -0.3391 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9397 5.9731 -0.5555 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2706 6.1411 -0.8834 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8015 7.4194 -0.9965 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9934 8.5278 -0.7797 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6614 8.3582 -0.4571 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1500 7.5904 -1.3282 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2337 -1.7250 2.0561 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6393 -1.6067 2.6489 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2443 -2.1011 3.1608 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2258 -2.8069 0.9743 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3302 -1.0423 -0.2133 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6140 0.7580 1.8752 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7199 3.2990 -1.1427 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2642 3.5429 -0.5276 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0406 3.3643 2.6534 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8564 5.6533 2.2761 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7859 5.3643 -1.8527 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9779 3.0704 -1.4882 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5268 4.9791 -0.4671 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8985 5.2787 -1.0514 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4056 9.5222 -0.8675 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0317 9.2202 -0.2929 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7143 6.8160 -1.4792 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5205 8.4833 -1.4071 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6449 -0.8359 3.4195 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9301 -2.5612 3.0875 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3442 -1.3388 1.8618 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2430 -2.1853 2.7385 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5351 -3.0556 3.5995 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2499 -1.3303 3.9315 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9307 -2.5390 0.1873 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5166 -3.7614 1.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2245 -2.8912 0.5520 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 2 3 1 0 0 0 0 2 29 1 0 0 0 0 3 4 2 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 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 8 9 2 0 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 21 2 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 27 46 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 28 50 1 0 0 0 0 28 51 1 0 0 0 0 M END > (401) 401 > (401) C22H23N5O > (401) 373.45092 > (401) 11012022-17 > (401) 11012022 > (401) 17 > (401) 75 > (401) src > (401) 2000 > (401) 0 $$$$ Wcorina 06010716263D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 51 55 0 0 0 0 0 0 0 0999 V2000 0.2690 1.6770 -2.6936 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1778 0.3602 -2.6503 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0965 -0.3976 -2.0916 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1794 0.1438 -1.5353 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3178 1.5427 -1.5591 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3135 2.3090 -2.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2773 -0.3650 -0.8959 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1130 0.6479 -0.5091 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5870 1.8400 -0.8831 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4056 3.6886 -2.2122 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1775 3.1807 -0.6548 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6175 3.5429 0.6177 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1663 4.7908 0.8267 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2809 5.6860 -0.2283 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8433 5.3286 -1.4965 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2992 4.0799 -1.7134 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8221 6.9148 -0.0191 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9834 7.9350 0.3042 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4740 9.2328 0.4151 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6151 10.2691 0.7444 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2742 10.0127 0.9624 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7868 8.7235 0.8527 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6369 7.6860 0.5185 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5227 -1.7897 -0.6586 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8346 -2.2190 -1.3385 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7662 -2.7259 -0.2182 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8009 -3.1408 0.9198 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7028 -2.0506 0.8511 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7934 9.4832 0.2013 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6866 -0.1138 -3.0913 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0486 0.5172 0.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7033 4.2074 -2.6347 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1725 4.1371 -1.8229 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5283 2.8471 1.4388 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5070 5.0720 1.8122 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9331 6.0274 -2.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9637 3.8006 -2.7013 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9932 11.2770 0.8311 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6060 10.8213 1.2193 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7387 8.5274 1.0241 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2528 6.6806 0.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 -2.3806 -1.0438 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6404 -3.0189 -2.0531 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2887 -1.3674 -1.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3431 -3.5847 -0.5612 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4297 -1.9283 0.1162 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3785 -4.1272 0.7277 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3082 -3.1179 1.8843 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0330 -1.1441 1.3582 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7739 -2.4167 1.2885 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0104 9.6911 -0.7179 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 2 3 1 0 0 0 0 2 30 1 0 0 0 0 3 4 2 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 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 8 9 2 0 0 0 0 8 31 1 0 0 0 0 9 11 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 29 1 0 0 0 0 20 21 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 23 2 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 28 1 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 27 28 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 28 50 1 0 0 0 0 29 51 1 0 0 0 0 M END > (404) 404 > (404) C23H22N4O2 > (404) 386.44638 > (404) 11012022-21 > (404) 11012022 > (404) 21 > (404) 4000 > (404) src > (404) 2000 > (404) 0 $$$$ Wcorina 06010716263D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 48 51 0 0 0 0 0 0 0 0999 V2000 0.2683 1.6797 -2.6930 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1764 0.3630 -2.6498 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0950 -0.3954 -2.0917 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1783 0.1455 -1.5355 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3172 1.5443 -1.5587 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3131 2.3111 -2.1644 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2763 -0.3640 -0.8966 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1124 0.6484 -0.5097 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5867 1.8409 -0.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4061 3.6907 -2.2119 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1773 3.1814 -0.6536 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6179 3.5422 0.6191 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1668 4.7899 0.8292 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2808 5.6862 -0.2249 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8427 5.3301 -1.4933 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2985 4.0817 -1.7113 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8222 6.9149 -0.0147 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9842 7.9341 0.3098 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4737 9.2275 0.4214 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6194 10.2620 0.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2780 10.0093 0.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7875 8.7210 0.8598 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6360 7.6841 0.5245 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5216 -1.7889 -0.6607 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8279 -2.2012 -1.3422 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6280 -2.0459 0.8438 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9101 9.4986 0.1881 N 0 3 0 0 0 0 0 0 0 0 0 0 7.3392 10.6343 0.2862 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6628 8.5861 -0.1021 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.6885 -0.1105 -3.0905 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0480 0.5172 0.0136 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 4.2098 -2.6345 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1734 4.1387 -1.8226 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5291 2.8455 1.4395 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5079 5.0701 1.8148 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9325 6.0297 -2.3111 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9623 3.8035 -2.6992 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 11.2690 0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6119 10.8194 1.2279 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7393 8.5261 1.0321 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2516 6.6789 0.4339 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6976 -2.3724 -1.0715 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0104 -3.2614 -1.1666 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7521 -2.0182 -2.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6519 -1.6178 -0.9314 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6974 -1.7521 1.3293 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8105 -3.1060 1.0194 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4520 -1.4624 1.2546 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 2 3 1 0 0 0 0 2 30 1 0 0 0 0 3 4 2 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 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 8 9 2 0 0 0 0 8 31 1 0 0 0 0 9 11 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 0 0 0 0 20 21 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 23 2 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 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 26 48 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 M CHG 2 27 1 29 -1 M END > (405) 405 > (405) C21H19N5O3 > (405) 389.40726 > (405) 11012022-22 > (405) 11012022 > (405) 22 > (405) 208 > (405) src > (405) 2000 > (405) 0 $$$$ Wcorina 06010716263D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 47 50 0 0 0 0 0 0 0 0999 V2000 0.2684 1.6773 -2.6946 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1771 0.3606 -2.6514 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0960 -0.3974 -2.0930 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1789 0.1440 -1.5367 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3171 1.5429 -1.5599 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3128 2.3093 -2.1658 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2772 -0.3649 -0.8979 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1129 0.6478 -0.5111 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5866 1.8401 -0.8843 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4052 3.6888 -2.2133 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1772 3.1808 -0.6562 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6177 3.5428 0.6162 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1666 4.7907 0.8251 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2809 5.6859 -0.2299 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8432 5.3285 -1.4981 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2986 4.0800 -1.7148 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8218 6.9149 -0.0207 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9847 7.9328 0.3021 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4769 9.2407 0.4143 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6049 10.2804 0.7468 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2697 10.0149 0.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7875 8.7211 0.8507 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 7.6850 0.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5228 -1.7897 -0.6614 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8290 -2.2021 -1.3431 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6299 -2.0458 0.8432 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8655 9.5094 0.1897 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9670 9.7225 0.0116 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6874 -0.1134 -3.0922 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0486 0.5171 0.0121 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7030 4.2076 -2.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1721 4.1373 -1.8239 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5288 2.8470 1.4373 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5077 5.0718 1.8105 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9335 6.0271 -2.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9625 3.8009 -2.7024 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9766 11.2905 0.8354 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5964 10.8193 1.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7398 8.5221 1.0218 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2529 6.6797 0.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6988 -2.3735 -1.0716 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6530 -1.6183 -0.9329 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0118 -3.2621 -1.1671 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7528 -2.0196 -2.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6994 -1.7520 1.3289 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8127 -3.1059 1.0193 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4539 -1.4620 1.2535 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 2 3 1 0 0 0 0 2 29 1 0 0 0 0 3 4 2 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 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 8 9 2 0 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 28 3 0 0 0 0 M END > (406) 406 > (406) C22H19N5O > (406) 369.41916 > (406) 11012022-23 > (406) 11012022 > (406) 23 > (406) 770 > (406) src > (406) 2000 > (406) 0 $$$$ Wcorina 06010716263D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 48 52 0 0 0 0 0 0 0 0999 V2000 0.2687 1.6757 -2.6914 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1775 0.3589 -2.6475 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0963 -0.3987 -2.0885 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 0.1431 -1.5326 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3175 1.5419 -1.5569 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3131 2.3079 -2.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2774 -0.3655 -0.8934 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1131 0.6476 -0.5073 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5869 1.8395 -0.8815 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4054 3.6875 -2.2113 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1775 3.1804 -0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6179 3.5431 0.6182 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1668 4.7911 0.8266 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2809 5.6859 -0.2288 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8428 5.3280 -1.4967 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2988 4.0792 -1.7129 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8221 6.9149 -0.0202 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9841 7.9344 0.3032 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6362 7.6847 0.5181 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7865 8.7229 0.8472 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2780 10.0102 0.9621 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6207 10.2619 0.7481 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4758 9.2263 0.4248 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5230 -1.7901 -0.6559 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8385 -2.2331 -1.3346 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7229 -2.7123 -0.1622 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7903 -3.0739 0.8797 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7683 -2.0541 0.8463 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6869 -0.1153 -3.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0490 0.5171 0.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7031 4.2060 -2.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1723 4.1362 -1.8222 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5291 2.8476 1.4397 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5078 5.0727 1.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9326 6.0264 -2.3155 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9626 3.7996 -2.7005 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2516 6.6795 0.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7373 8.5290 1.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6119 10.8205 1.2192 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0020 11.2683 0.8381 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5252 9.4227 0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6862 -2.3867 -1.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6524 -3.0503 -2.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3061 -1.3922 -1.8468 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 -3.5789 -0.4612 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3750 -1.9067 0.1752 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1206 -1.1475 1.3383 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8564 -2.4150 1.3219 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 2 3 1 0 0 0 0 2 29 1 0 0 0 0 3 4 2 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 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 8 9 2 0 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 21 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 23 2 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 28 1 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 M END > (76) 76 > (76) C22H20N4O2 > (76) 372.4198 > (76) 12039590-3 > (76) 12039590 > (76) 3 > (76) 320 > (76) src > (76) 2000 > (76) 0 $$$$ Wcorina 06010716263D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 51 55 0 0 0 0 0 0 0 0999 V2000 0.2687 1.6757 -2.6914 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1775 0.3589 -2.6475 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0963 -0.3987 -2.0885 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 0.1431 -1.5326 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3175 1.5419 -1.5569 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3131 2.3079 -2.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2774 -0.3655 -0.8934 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1131 0.6476 -0.5073 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5869 1.8395 -0.8815 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4054 3.6875 -2.2113 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1775 3.1804 -0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6179 3.5431 0.6182 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1668 4.7911 0.8266 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2809 5.6859 -0.2288 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8428 5.3280 -1.4967 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2988 4.0792 -1.7129 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8221 6.9149 -0.0202 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9841 7.9344 0.3032 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6362 7.6847 0.5181 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7865 8.7229 0.8472 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2780 10.0102 0.9621 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6207 10.2619 0.7481 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4758 9.2263 0.4248 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5230 -1.7901 -0.6559 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8306 -2.2051 -1.3374 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1192 -3.6744 -1.0184 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1860 -3.8486 0.3984 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9759 -3.5211 1.0842 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6413 -2.0457 0.8497 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6869 -0.1153 -3.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0490 0.5171 0.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7031 4.2060 -2.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1723 4.1362 -1.8222 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5291 2.8476 1.4397 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5078 5.0727 1.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9326 6.0264 -2.3155 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9626 3.7996 -2.7005 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2516 6.6795 0.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7373 8.5290 1.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6119 10.8205 1.2192 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0020 11.2683 0.8381 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5252 9.4227 0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6982 -2.3751 -1.0627 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7355 -2.0784 -2.4158 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6470 -1.5849 -0.9674 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3224 -4.2977 -1.4241 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0704 -3.9634 -1.4654 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1641 -4.1424 0.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1034 -3.6996 2.1519 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4337 -1.4222 1.2639 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6957 -1.8049 1.3355 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 2 3 1 0 0 0 0 2 30 1 0 0 0 0 3 4 2 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 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 8 9 2 0 0 0 0 8 31 1 0 0 0 0 9 11 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 M END > (77) 77 > (77) C23H22N4O2 > (77) 386.44638 > (77) 12039590-4 > (77) 12039590 > (77) 4 > (77) 1120 > (77) src > (77) 2000 > (77) 0 $$$$ Wcorina 06010716263D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 44 47 0 0 0 0 0 0 0 0999 V2000 0.2687 1.6757 -2.6914 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1775 0.3589 -2.6475 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0963 -0.3987 -2.0885 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 0.1431 -1.5326 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3175 1.5419 -1.5569 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3131 2.3079 -2.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2774 -0.3655 -0.8934 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1131 0.6476 -0.5073 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5869 1.8395 -0.8815 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4054 3.6875 -2.2113 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1775 3.1804 -0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6179 3.5431 0.6182 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1668 4.7911 0.8266 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2809 5.6859 -0.2288 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8428 5.3280 -1.4967 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2988 4.0792 -1.7129 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8221 6.9149 -0.0202 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9841 7.9344 0.3032 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6362 7.6847 0.5181 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7865 8.7229 0.8472 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2780 10.0102 0.9621 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6207 10.2619 0.7481 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4758 9.2263 0.4248 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5230 -1.7901 -0.6559 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1902 -2.4048 -1.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4298 -3.7944 -1.6564 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6869 -0.1153 -3.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0490 0.5171 0.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7031 4.2060 -2.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1723 4.1362 -1.8222 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5291 2.8476 1.4397 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5078 5.0727 1.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9326 6.0264 -2.3155 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9626 3.7996 -2.7005 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2516 6.6795 0.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7373 8.5290 1.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6119 10.8205 1.2192 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0020 11.2683 0.8381 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5252 9.4227 0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1774 -1.9069 0.2079 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5762 -2.2952 -0.4654 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5358 -2.2880 -2.7518 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1371 -1.8997 -2.0785 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8519 -4.2497 -2.3977 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 2 3 1 0 0 0 0 2 27 1 0 0 0 0 3 4 2 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 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 8 9 2 0 0 0 0 8 28 1 0 0 0 0 9 11 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 13 14 2 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 21 2 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 22 23 2 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 M END > (78) 78 > (78) C20H18N4O2 > (78) 346.38252 > (78) 12039590-5 > (78) 12039590 > (78) 5 > (78) 1470 > (78) src > (78) 2000 > (78) 0 $$$$ Wcorina 06010716263D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 47 51 0 0 0 0 0 0 0 0999 V2000 0.2687 1.6757 -2.6914 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1775 0.3589 -2.6475 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0963 -0.3987 -2.0885 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 0.1431 -1.5326 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3175 1.5419 -1.5569 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3131 2.3079 -2.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2774 -0.3655 -0.8934 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1131 0.6476 -0.5073 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5869 1.8395 -0.8815 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4054 3.6875 -2.2113 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1775 3.1804 -0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6179 3.5431 0.6182 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1668 4.7911 0.8266 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2809 5.6859 -0.2288 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8428 5.3280 -1.4967 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2988 4.0792 -1.7129 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8221 6.9149 -0.0202 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9841 7.9344 0.3032 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6362 7.6847 0.5181 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7865 8.7229 0.8472 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2780 10.0102 0.9621 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6207 10.2619 0.7481 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4758 9.2263 0.4248 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5230 -1.7901 -0.6559 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8370 -2.2309 -1.3343 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7114 -2.6798 -0.2250 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7932 -3.0648 0.8666 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7594 -2.0537 0.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6869 -0.1153 -3.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0490 0.5171 0.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7031 4.2060 -2.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1723 4.1362 -1.8222 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5291 2.8476 1.4397 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5078 5.0727 1.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9326 6.0264 -2.3155 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9626 3.7996 -2.7005 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2516 6.6795 0.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7373 8.5290 1.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6119 10.8205 1.2192 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0020 11.2683 0.8381 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5252 9.4227 0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6870 -2.3860 -1.0221 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6493 -3.0530 -2.0249 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2924 -1.3910 -1.8592 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2833 -3.4611 -0.5088 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1027 -1.1468 1.3457 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 -2.4281 1.3181 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 2 3 1 0 0 0 0 2 29 1 0 0 0 0 3 4 2 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 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 8 9 2 0 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 21 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 23 2 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 28 1 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 27 28 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 M END > (80) 80 > (80) C21H19N5O2 > (80) 373.40786 > (80) 12039590-7 > (80) 12039590 > (80) 7 > (80) 390 > (80) src > (80) 2000 > (80) 0 $$$$ Wcorina 06010716263D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 49 53 0 0 0 0 0 0 0 0999 V2000 0.2687 1.6757 -2.6914 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1775 0.3589 -2.6475 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0963 -0.3987 -2.0885 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 0.1431 -1.5326 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3175 1.5419 -1.5569 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3131 2.3079 -2.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2774 -0.3655 -0.8934 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1131 0.6476 -0.5073 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5869 1.8395 -0.8815 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4054 3.6875 -2.2113 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1775 3.1804 -0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6179 3.5431 0.6182 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1668 4.7911 0.8266 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2809 5.6859 -0.2288 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8428 5.3280 -1.4967 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2988 4.0792 -1.7129 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8221 6.9149 -0.0202 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9841 7.9344 0.3032 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6362 7.6847 0.5181 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7865 8.7229 0.8472 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2780 10.0102 0.9621 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6207 10.2619 0.7481 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4758 9.2263 0.4248 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5230 -1.7901 -0.6559 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8530 -2.2183 -1.3034 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7412 -2.6716 -0.2111 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 -3.1109 0.8862 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7050 -2.0586 0.8556 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6869 -0.1153 -3.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0490 0.5171 0.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7031 4.2060 -2.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1723 4.1362 -1.8222 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5291 2.8476 1.4397 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5078 5.0727 1.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9326 6.0264 -2.3155 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9626 3.7996 -2.7005 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2516 6.6795 0.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7373 8.5290 1.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6119 10.8205 1.2192 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0020 11.2683 0.8381 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5252 9.4227 0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7006 -2.3862 -1.0513 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6790 -3.0352 -2.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3036 -1.3715 -1.8211 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3340 -3.4284 -0.5176 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -4.1077 0.6858 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3625 -3.0869 1.8435 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0071 -1.1493 1.3753 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7908 -2.4655 1.2879 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 2 3 1 0 0 0 0 2 29 1 0 0 0 0 3 4 2 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 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 8 9 2 0 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 21 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 23 2 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 28 1 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 M END > (81) 81 > (81) C22H21N5O > (81) 371.43504 > (81) 12039590-8 > (81) 12039590 > (81) 8 > (81) 2360 > (81) src > (81) 2000 > (81) 0 $$$$ Wcorina 06010716263D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 52 56 0 0 0 0 0 0 0 0999 V2000 0.2687 1.6757 -2.6914 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1775 0.3589 -2.6475 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0963 -0.3987 -2.0885 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 0.1431 -1.5326 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3175 1.5419 -1.5569 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3131 2.3079 -2.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2774 -0.3655 -0.8934 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1131 0.6476 -0.5073 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5869 1.8395 -0.8815 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4054 3.6875 -2.2113 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1775 3.1804 -0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6179 3.5431 0.6182 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1668 4.7911 0.8266 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2809 5.6859 -0.2288 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8428 5.3280 -1.4967 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2988 4.0792 -1.7129 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8221 6.9149 -0.0202 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9841 7.9344 0.3032 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6362 7.6847 0.5181 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7865 8.7229 0.8472 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2780 10.0102 0.9621 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6207 10.2619 0.7481 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4758 9.2263 0.4248 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5230 -1.7901 -0.6559 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8302 -2.2045 -1.3373 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1125 -3.6779 -1.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2143 -3.8701 0.4172 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9550 -3.5236 1.0883 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6380 -2.0456 0.8494 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6869 -0.1153 -3.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0490 0.5171 0.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7031 4.2060 -2.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1723 4.1362 -1.8222 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5291 2.8476 1.4397 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5078 5.0727 1.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9326 6.0264 -2.3155 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9626 3.7996 -2.7005 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2516 6.6795 0.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7373 8.5290 1.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6119 10.8205 1.2192 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0020 11.2683 0.8381 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5252 9.4227 0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6984 -2.3748 -1.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7392 -2.0649 -2.4145 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6482 -1.5919 -0.9582 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3008 -4.2910 -1.4265 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0499 -3.9723 -1.5069 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4940 -4.8141 0.6383 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1486 -4.1374 0.6868 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0516 -3.7059 2.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4374 -1.4306 1.2629 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6953 -1.7925 1.3345 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 2 3 1 0 0 0 0 2 30 1 0 0 0 0 3 4 2 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 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 8 9 2 0 0 0 0 8 31 1 0 0 0 0 9 11 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 M END > (82) 82 > (82) C23H23N5O > (82) 385.46162 > (82) 12039590-9 > (82) 12039590 > (82) 9 > (82) 1780 > (82) src > (82) 2000 > (82) 0 $$$$ Wcorina 06010716263D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 68 73 0 0 0 0 0 0 0 0999 V2000 -0.2753 1.4998 -0.3151 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2863 0.1848 -0.4366 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8056 -0.5450 -0.3598 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9919 0.0250 -0.1523 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0503 1.4232 -0.0175 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8612 2.1589 -0.1061 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2690 -0.4515 -0.0286 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1427 0.5814 0.1796 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4644 1.7550 0.1977 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8688 3.5366 0.0203 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0379 3.1080 0.3953 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8967 3.3531 1.4659 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4284 4.6127 1.6471 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1093 5.6360 0.7648 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2540 5.3953 -0.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7239 4.1363 -0.4923 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6348 6.8761 0.9460 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8465 7.8264 1.5133 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5545 7.5118 1.9097 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7553 8.4796 2.4865 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2416 9.7611 2.6687 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5286 10.0774 2.2742 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3340 9.1117 1.7025 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6467 -1.8648 -0.1074 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6274 -2.0669 -1.2642 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8776 -1.2173 -1.0272 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5415 -1.6416 0.2843 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5608 -1.4395 1.4411 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3106 -2.2891 1.2042 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7419 -0.8259 0.5119 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4882 -1.3032 1.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8016 -0.5270 1.8035 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4951 0.9666 1.9442 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6759 1.4275 0.7356 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3951 0.5947 0.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2303 -0.3118 -0.6056 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2098 0.4773 0.3097 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0386 4.0340 -0.0434 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7045 4.0050 0.1725 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1451 2.5576 2.1528 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0935 4.8034 2.4764 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0074 6.1935 -0.9864 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0624 3.9485 -1.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1739 6.5112 1.7669 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7496 8.2352 2.7952 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6151 10.5164 3.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9059 11.0792 2.4173 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3407 9.3581 1.3985 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7560 -2.4700 -0.2762 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9085 -3.1184 -1.3227 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1545 -1.7646 -2.1985 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5763 -1.3613 -1.8513 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5966 -0.1658 -0.9686 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8225 -2.6932 0.2258 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0337 -1.7418 2.3755 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2797 -0.3880 1.4997 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6119 -2.1451 2.0283 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5916 -3.3406 1.1456 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8913 -1.1487 2.5818 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7034 -2.3656 1.5683 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3481 -0.8706 2.6818 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4052 -0.6921 0.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9247 1.1369 2.8573 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4287 1.5276 1.9869 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4180 2.4803 0.8508 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2617 1.2932 -0.1738 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8163 0.9107 -0.2219 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8032 0.7403 1.5496 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 2 3 1 0 0 0 0 2 36 1 0 0 0 0 3 4 2 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 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 8 9 2 0 0 0 0 8 37 1 0 0 0 0 9 11 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 22 23 2 0 0 0 0 22 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 27 30 1 0 0 0 0 27 54 1 0 0 0 0 28 29 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 32 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 32 33 1 0 0 0 0 32 61 1 0 0 0 0 32 62 1 0 0 0 0 33 34 1 0 0 0 0 33 63 1 0 0 0 0 33 64 1 0 0 0 0 34 35 1 0 0 0 0 34 65 1 0 0 0 0 34 66 1 0 0 0 0 35 67 1 0 0 0 0 35 68 1 0 0 0 0 M END > (83) 83 > (83) C29H33N5O > (83) 467.60522 > (83) 12039590-10 > (83) 12039590 > (83) 10 > (83) 5460 > (83) src > (83) 2000 > (83) 0 $$$$ 44 csChFnd70/05230809552D 47 51 0 0 0 0 0 0 0 0999 V2000 3.6373 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2745 6.2999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4869 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6994 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4869 8.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6994 6.2999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 6.2999 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 13.3366 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3366 8.3998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5491 6.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7614 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9739 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7614 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9739 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1863 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1863 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9739 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5491 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9119 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9119 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3366 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3366 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 0.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9119 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5491 4.8999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7614 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 9.0999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 9.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 10.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 13.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 12.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 10.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 11.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 11.1998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 12.6000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 13.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 10.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 34 1 1 0 0 0 0 37 1 2 0 0 0 0 1 46 1 0 0 0 0 37 4 1 0 0 0 0 46 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 10 6 2 0 0 0 0 6 11 1 0 0 0 0 7 10 1 0 0 0 0 7 9 2 0 0 0 0 11 8 2 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 12 13 1 0 0 0 0 12 24 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 18 16 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 21 2 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 19 22 1 0 0 0 0 18 23 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 26 29 2 0 0 0 0 28 27 2 0 0 0 0 29 28 1 0 0 0 0 27 32 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 32 33 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 38 1 0 0 0 0 38 43 1 0 0 0 0 40 43 1 0 0 0 0 43 41 1 0 0 0 0 39 40 1 0 0 0 0 39 44 1 0 0 0 0 41 42 1 0 0 0 0 42 44 1 0 0 0 0 37 47 1 0 0 0 0 44 45 1 0 0 0 0 M END > (111) 2-aminopyrimidine carbamate, 44 > (111) Src > (111) 5 > (111) 341 > (111) 1 > (111) Src-P109 > (111) P $$$$ 28 csChFnd70/05230809552D 42 46 0 0 0 0 0 0 0 0999 V2000 2.4247 11.1997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 9.0995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4247 8.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 10.4997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 10.4997 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 9.0995 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 11.1997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8495 8.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0620 9.0997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8495 6.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0620 6.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2745 6.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2745 8.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4867 6.2996 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6992 6.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 9.0997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1240 6.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1240 8.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6992 8.3997 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 6.2996 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3365 6.2996 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 13.3365 4.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1243 4.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1246 2.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3371 2.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5494 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5489 6.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5489 8.3995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7614 6.2997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9737 6.9997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1862 9.0997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9737 8.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1862 6.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3986 6.9997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3986 8.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1862 4.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7614 9.0997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5491 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7614 4.9003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9737 4.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3376 0.6996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5501 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 4 1 0 0 0 0 5 2 1 0 0 0 0 2 3 1 0 0 0 0 3 6 1 0 0 0 0 6 4 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 9 8 2 0 0 0 0 8 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 19 15 2 0 0 0 0 15 20 1 0 0 0 0 16 19 1 0 0 0 0 16 18 2 0 0 0 0 20 17 2 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 21 27 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 38 2 0 0 0 0 27 29 1 0 0 0 0 27 28 2 0 0 0 0 25 41 1 0 0 0 0 29 30 1 0 0 0 0 32 30 2 0 0 0 0 30 33 1 0 0 0 0 31 32 1 0 0 0 0 31 35 2 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 33 36 1 0 0 0 0 32 37 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 41 42 1 0 0 0 0 M END > (118) 2-aminopyrimidine carbamate, 28 > (118) Src > (118) 6 > (118) 348 > (118) 1 > (118) Src-P116 > (118) P $$$$ 38 csChFnd70/05230809552D 46 50 0 0 0 0 0 0 0 0999 V2000 4.8495 8.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8495 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0620 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2745 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2745 8.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4868 6.2999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6992 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1240 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1240 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6992 8.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 6.2999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3365 6.2999 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 14.5489 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5489 8.3999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7614 6.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9737 7.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1862 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9737 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1862 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3987 7.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3987 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1862 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7614 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3365 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5489 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5489 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3365 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3365 0.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7614 4.8999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9737 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 9.0999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 8.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 9.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 12.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 11.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 11.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 12.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 10.4999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 13.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 14.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0620 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0620 10.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 35 1 1 0 0 0 0 45 1 2 0 0 0 0 1 2 1 0 0 0 0 45 5 1 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 4 6 1 0 0 0 0 6 7 1 0 0 0 0 11 7 2 0 0 0 0 7 12 1 0 0 0 0 8 11 1 0 0 0 0 8 10 2 0 0 0 0 12 9 2 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 14 16 1 0 0 0 0 14 15 2 0 0 0 0 16 17 1 0 0 0 0 19 17 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 22 2 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 20 23 1 0 0 0 0 19 24 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 27 30 2 0 0 0 0 29 28 2 0 0 0 0 30 29 1 0 0 0 0 28 33 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 33 34 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 42 1 0 0 0 0 39 42 1 0 0 0 0 42 40 1 0 0 0 0 43 38 1 0 0 0 0 43 41 1 0 0 0 0 38 39 1 0 0 0 0 40 41 1 0 0 0 0 43 44 1 0 0 0 0 45 46 1 0 0 0 0 M END > (119) 2-aminopyrimidine carbamate, 38 > (119) Src > (119) 6 > (119) 349 > (119) 1 > (119) Src-P117 > (119) P $$$$ 41 csChFnd70/05230809552D 45 49 0 0 0 0 0 0 0 0999 V2000 3.6373 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2745 6.2999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4869 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6994 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4869 8.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6994 6.2999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 6.2999 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 13.3366 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3366 8.3998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5491 6.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7614 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9739 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7614 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9739 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1863 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1863 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9739 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5491 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9119 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9119 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3366 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3366 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 0.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9119 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5491 4.8999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7614 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 9.0999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 9.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 10.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 13.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 12.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 10.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 11.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 12.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 11.1998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 34 1 1 0 0 0 0 37 1 2 0 0 0 0 1 38 1 0 0 0 0 37 4 1 0 0 0 0 38 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 10 6 2 0 0 0 0 6 11 1 0 0 0 0 7 10 1 0 0 0 0 7 9 2 0 0 0 0 11 8 2 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 12 13 1 0 0 0 0 12 24 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 18 16 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 21 2 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 19 22 1 0 0 0 0 18 23 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 26 29 2 0 0 0 0 28 27 2 0 0 0 0 29 28 1 0 0 0 0 27 32 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 32 33 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 39 1 0 0 0 0 39 45 1 0 0 0 0 41 45 1 0 0 0 0 45 42 1 0 0 0 0 40 41 1 0 0 0 0 40 44 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 M END > (125) 2-aminopyrimidine carbamate, 41 > (125) Src > (125) 7 > (125) 355 > (125) 1 > (125) Src-P123 > (125) P $$$$ 1 csChFnd70/05230809552D 38 42 0 0 0 0 0 0 0 0999 V2000 2.4247 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4247 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 8.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 6.9999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8495 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0620 7.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8495 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0620 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2745 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2745 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4867 4.1999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6992 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 7.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1240 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1240 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6992 6.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 4.1999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3365 4.1999 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 13.3365 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1243 2.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1246 0.6996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3371 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5494 0.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5491 2.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5489 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5489 6.2999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7614 4.2001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9737 4.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1862 7.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9737 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1862 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3986 4.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3986 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7614 7.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1862 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 4 1 0 0 0 0 5 2 1 0 0 0 0 2 3 1 0 0 0 0 3 6 1 0 0 0 0 6 4 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 9 8 2 0 0 0 0 8 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 19 15 2 0 0 0 0 15 20 1 0 0 0 0 16 19 1 0 0 0 0 16 18 2 0 0 0 0 20 17 2 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 21 28 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 28 30 1 0 0 0 0 28 29 2 0 0 0 0 30 31 1 0 0 0 0 33 31 2 0 0 0 0 31 34 1 0 0 0 0 32 33 1 0 0 0 0 32 36 2 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 33 37 1 0 0 0 0 34 38 1 0 0 0 0 M END > (166) 2-aminopyrimidine carbamate, 1 > (166) Src > (166) 10 > (166) 396 > (166) 1 > (166) Src-P164 > (166) P $$$$ 43.mol csChFnd70/05210813072D 34 38 0 0 0 0 0 0 0 0999 V2000 0.0000 2.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6999 1.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7998 2.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 3.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6999 3.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1999 2.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8998 3.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7998 4.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7998 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8998 1.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2999 1.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9999 2.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2999 3.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3998 2.4249 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0999 3.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3998 4.8497 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9999 4.8497 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4998 3.6373 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1998 4.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4998 6.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5997 4.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2997 6.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5997 7.2745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1998 7.2745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9999 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2997 8.4870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6997 8.4870 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.3997 9.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3997 7.2745 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.8303 5.9955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8706 5.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0830 5.7588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7920 7.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 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 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 9 5 1 0 0 0 0 3 10 1 0 0 0 0 11 7 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 8 2 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 14 1 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 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 25 21 1 0 0 0 0 12 26 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 30 1 0 0 0 0 27 24 1 0 0 0 0 M END > (177) 42 > (177) PMID_16931012 > (177) 2006 > (177) SRC > (177) 7 > (177) 1 > (177) 175 > (177) SRC-P175 $$$$ 45 csChFnd70/05230809552D 46 50 0 0 0 0 0 0 0 0999 V2000 3.6373 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2745 6.2999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4869 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6994 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4869 8.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6994 6.2999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 6.2999 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 13.3366 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3366 8.3998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5491 6.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7614 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9739 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7614 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9739 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1863 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1863 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9739 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5491 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9119 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9119 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3366 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3366 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 0.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9119 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5491 4.8999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7614 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 9.0999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 9.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 10.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 13.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 12.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 10.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 11.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 11.1998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 10.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 12.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34 1 1 0 0 0 0 37 1 2 0 0 0 0 1 44 1 0 0 0 0 37 4 1 0 0 0 0 44 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 10 6 2 0 0 0 0 6 11 1 0 0 0 0 7 10 1 0 0 0 0 7 9 2 0 0 0 0 11 8 2 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 12 13 1 0 0 0 0 12 24 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 18 16 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 21 2 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 19 22 1 0 0 0 0 18 23 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 26 29 2 0 0 0 0 28 27 2 0 0 0 0 29 28 1 0 0 0 0 27 32 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 32 33 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 38 1 0 0 0 0 38 43 1 0 0 0 0 40 43 1 0 0 0 0 43 41 1 0 0 0 0 39 40 1 0 0 0 0 39 46 1 0 0 0 0 41 42 1 0 0 0 0 42 46 1 0 0 0 0 37 45 1 0 0 0 0 M END > (179) 2-aminopyrimidine carbamate, 45 > (179) Src > (179) 12 > (179) 409 > (179) 1 > (179) Src-P177 > (179) P $$$$ Pyrazolo[3,4-d]pyrimidine 6 csChFnd70/05230809552D 42 47 0 0 0 0 0 0 0 0999 V2000 1.2125 11.9115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 9.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 11.2115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 9.1115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 11.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7562 11.6442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 9.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7562 9.3790 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.1890 8.0476 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5457 7.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2114 7.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5903 5.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9468 5.3521 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9246 6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3811 2.9712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8034 1.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1154 2.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6930 3.7028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3260 4.0043 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1707 1.3347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5931 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 12.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7872 15.7111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4532 15.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1540 13.9185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5230 13.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8220 14.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 13.3115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5791 10.5115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0863 17.0786 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4203 17.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4551 16.5604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1560 15.1931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1909 14.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7195 18.8710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0535 19.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3527 20.6633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0947 23.3634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7402 23.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3691 21.6596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7073 21.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0783 22.3669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 2 0 0 0 0 3 2 2 0 0 0 0 2 4 1 0 0 0 0 4 7 2 0 0 0 0 6 5 1 0 0 0 0 6 29 2 0 0 0 0 7 8 1 0 0 0 0 8 29 1 0 0 0 0 7 5 1 0 0 0 0 9 8 1 1 0 0 0 10 9 1 0 0 0 0 9 11 1 0 0 0 0 10 14 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 19 1 6 0 0 0 19 15 1 0 0 0 0 19 18 1 0 0 0 0 15 16 1 0 0 0 0 16 20 1 0 0 0 0 20 17 1 0 0 0 0 17 18 1 0 0 0 0 20 21 1 0 0 0 0 6 22 1 0 0 0 0 25 22 1 0 0 0 0 22 26 2 0 0 0 0 23 24 1 0 0 0 0 23 27 2 0 0 0 0 24 25 2 0 0 0 0 26 27 1 0 0 0 0 1 28 1 0 0 0 0 23 30 1 0 0 0 0 30 31 1 0 0 0 0 31 35 1 0 0 0 0 31 32 2 0 0 0 0 27 33 1 0 0 0 0 33 34 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 40 37 2 0 0 0 0 37 41 1 0 0 0 0 38 39 2 0 0 0 0 38 42 1 0 0 0 0 39 40 1 0 0 0 0 41 42 2 0 0 0 0 M END > (180) Pyrazolo[3,4-d]pyrimidine 6 > (180) Src > (180) 12.5 > (180) 410 > (180) 1 > (180) Src-P178 > (180) P $$$$ 27 csChFnd70/05230809552D 43 47 0 0 0 0 0 0 0 0999 V2000 2.4248 10.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 8.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 7.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 9.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 9.8000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 8.3999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 10.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8495 7.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0620 8.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8495 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0620 5.5999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2745 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2745 7.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4868 5.5999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6992 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 8.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1240 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1240 7.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6992 7.7001 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 5.5999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3365 5.5999 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 13.3365 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1243 3.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1247 2.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3372 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5494 2.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5489 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5489 7.6999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3376 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 15.7614 5.6001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9737 6.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1862 8.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9737 7.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1862 5.5999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3987 6.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3987 7.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1862 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7614 8.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5491 3.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9491 3.5003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9391 2.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2912 2.8728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5766 1.1582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 4 1 0 0 0 0 5 2 1 0 0 0 0 2 3 1 0 0 0 0 3 6 1 0 0 0 0 6 4 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 9 8 2 0 0 0 0 8 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 19 15 2 0 0 0 0 15 20 1 0 0 0 0 16 19 1 0 0 0 0 16 18 2 0 0 0 0 20 17 2 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 21 27 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 39 2 0 0 0 0 27 30 1 0 0 0 0 27 28 2 0 0 0 0 25 29 1 0 0 0 0 30 31 1 0 0 0 0 33 31 2 0 0 0 0 31 34 1 0 0 0 0 32 33 1 0 0 0 0 32 36 2 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 34 37 1 0 0 0 0 33 38 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 M END > (191) 2-aminopyrimidine carbamate, 27 > (191) Src > (191) 13 > (191) 421 > (191) 1 > (191) Src-P189 > (191) P $$$$ 30 csChFnd70/05230809552D 42 47 0 0 0 0 0 0 0 0999 V2000 2.4247 11.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 9.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4247 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 10.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 10.4999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 9.0998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 11.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8495 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0619 9.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8495 6.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0619 6.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2744 6.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2744 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4867 6.2998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6991 6.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9116 9.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1239 6.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1239 8.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6991 8.3999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9116 6.2998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3363 6.2998 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 14.5488 6.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5488 8.3998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7612 6.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9735 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1860 9.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9735 8.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1860 6.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3984 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3984 8.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1860 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7612 9.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3363 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1240 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1240 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5488 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5488 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3363 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3363 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5488 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7612 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7612 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 4 1 0 0 0 0 5 2 1 0 0 0 0 2 3 1 0 0 0 0 3 6 1 0 0 0 0 6 4 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 9 8 2 0 0 0 0 8 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 19 15 2 0 0 0 0 15 20 1 0 0 0 0 16 19 1 0 0 0 0 16 18 2 0 0 0 0 20 17 2 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 21 22 1 0 0 0 0 21 33 1 0 0 0 0 22 24 1 0 0 0 0 22 23 2 0 0 0 0 24 25 1 0 0 0 0 27 25 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 30 2 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 27 32 1 0 0 0 0 33 34 2 0 0 0 0 33 36 1 0 0 0 0 34 35 1 0 0 0 0 35 38 2 0 0 0 0 37 36 2 0 0 0 0 37 42 1 0 0 0 0 38 37 1 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 M END > (192) 2-aminopyrimidine carbamate, 30 > (192) Src > (192) 14 > (192) 422 > (192) 1 > (192) Src-P190 > (192) P $$$$ 29 csChFnd70/05230809552D 43 47 0 0 0 0 0 0 0 0999 V2000 2.4247 10.1356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 8.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4247 7.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 9.4356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 9.4356 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 8.0355 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 10.1356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8495 7.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0619 8.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8495 5.9355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0619 5.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2744 5.9355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2744 7.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4867 5.2355 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6991 5.9355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9116 8.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1239 5.9355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1239 7.3357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6991 7.3357 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9116 5.2355 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3363 5.2355 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 14.5488 5.9355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5488 7.3355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7613 5.2357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9735 5.9357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1860 8.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9735 7.3357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1860 5.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3985 5.9357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3985 7.3357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1860 3.8356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7613 8.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3363 3.8356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3263 2.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7078 3.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8317 1.5361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7185 0.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1000 0.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5946 1.9888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4500 1.3097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9554 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9763 2.2152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9661 1.2254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 4 1 0 0 0 0 5 2 1 0 0 0 0 2 3 1 0 0 0 0 3 6 1 0 0 0 0 6 4 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 9 8 2 0 0 0 0 8 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 19 15 2 0 0 0 0 15 20 1 0 0 0 0 16 19 1 0 0 0 0 16 18 2 0 0 0 0 20 17 2 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 21 22 1 0 0 0 0 21 33 1 0 0 0 0 22 24 1 0 0 0 0 22 23 2 0 0 0 0 24 25 1 0 0 0 0 27 25 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 30 2 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 27 32 1 0 0 0 0 33 34 1 0 0 0 0 35 34 1 0 0 0 0 34 36 2 0 0 0 0 35 39 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 36 40 1 0 0 0 0 40 41 1 0 0 0 0 39 42 1 0 0 0 0 42 43 1 0 0 0 0 M END > (22) 2-aminopyrimidine carbamate, 29 > (22) Src > (22) 1 > (22) 252 > (22) 1 > (22) Src-P20 > (22) P $$$$ 39 csChFnd70/05230809552D 49 53 0 0 0 0 0 0 0 0999 V2000 4.8495 8.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0620 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2745 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2745 8.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4868 6.2999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6992 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1240 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1240 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6992 8.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 6.2999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3365 6.2999 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 14.5489 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5489 8.3999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7614 6.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9737 7.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1862 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9737 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1862 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3987 7.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3987 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1862 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7614 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3365 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5489 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5489 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3365 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3365 0.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7614 4.8999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9737 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 9.0999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 8.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 9.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 12.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 11.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 11.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 12.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 10.4999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 13.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 14.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0620 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8495 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 6.2999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0620 10.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8495 11.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34 1 1 0 0 0 0 44 1 2 0 0 0 0 1 45 1 0 0 0 0 44 4 1 0 0 0 0 45 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 10 6 2 0 0 0 0 6 11 1 0 0 0 0 7 10 1 0 0 0 0 7 9 2 0 0 0 0 11 8 2 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 12 13 1 0 0 0 0 12 24 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 18 16 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 21 2 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 19 22 1 0 0 0 0 18 23 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 26 29 2 0 0 0 0 28 27 2 0 0 0 0 29 28 1 0 0 0 0 27 32 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 32 33 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 41 1 0 0 0 0 38 41 1 0 0 0 0 41 39 1 0 0 0 0 42 37 1 0 0 0 0 42 40 1 0 0 0 0 37 38 1 0 0 0 0 39 40 1 0 0 0 0 42 43 1 0 0 0 0 44 48 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 48 49 1 0 0 0 0 M END > (23) 2-aminopyrimidine carbamate, 39 > (23) Src > (23) 1 > (23) 253 > (23) 1 > (23) Src-P21 > (23) P $$$$ 43 csChFnd70/05230809552D 50 54 0 0 0 0 0 0 0 0999 V2000 3.6373 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2745 6.2999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4869 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6994 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4869 8.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6994 6.2999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 6.2999 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 13.3366 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3366 8.3998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5491 6.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7614 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9739 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7614 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9739 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1863 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1863 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9739 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5491 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9119 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9119 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3366 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3366 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 0.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9119 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5491 4.8999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7614 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 9.0999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 9.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 10.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 13.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 12.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 10.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 11.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 11.1998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 10.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 11.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 12.6000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 13.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 6.2999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34 1 1 0 0 0 0 37 1 2 0 0 0 0 1 48 1 0 0 0 0 37 4 1 0 0 0 0 48 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 10 6 2 0 0 0 0 6 11 1 0 0 0 0 7 10 1 0 0 0 0 7 9 2 0 0 0 0 11 8 2 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 12 13 1 0 0 0 0 12 24 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 18 16 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 21 2 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 19 22 1 0 0 0 0 18 23 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 26 29 2 0 0 0 0 28 27 2 0 0 0 0 29 28 1 0 0 0 0 27 32 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 32 33 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 38 1 0 0 0 0 38 43 1 0 0 0 0 40 43 1 0 0 0 0 43 41 1 0 0 0 0 39 40 1 0 0 0 0 39 46 1 0 0 0 0 41 42 1 0 0 0 0 42 46 1 0 0 0 0 37 44 1 0 0 0 0 44 45 1 0 0 0 0 46 47 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 M END > (24) 2-aminopyrimidine carbamate, 43 > (24) Src > (24) 1 > (24) 254 > (24) 1 > (24) Src-P22 > (24) P $$$$ 34 csChFnd70/05230809552D 46 50 0 0 0 0 0 0 0 0999 V2000 2.4247 11.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 9.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4247 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 10.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 10.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 9.0999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 11.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8495 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0620 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8495 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0620 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2745 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2745 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4867 6.2999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6992 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1240 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1240 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6992 8.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 6.2999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3365 6.2999 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 14.5489 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5489 8.3998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7614 6.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9737 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1862 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9737 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1862 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3986 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3986 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1862 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7614 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3365 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5489 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5489 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3365 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3365 0.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7614 4.8999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9737 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0620 10.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2745 11.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 6.2999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 4 1 0 0 0 0 5 2 1 0 0 0 0 2 3 1 0 0 0 0 3 6 1 0 0 0 0 6 4 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 9 8 2 0 0 0 0 8 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 19 15 2 0 0 0 0 15 20 1 0 0 0 0 16 19 1 0 0 0 0 16 18 2 0 0 0 0 20 17 2 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 21 22 1 0 0 0 0 21 33 1 0 0 0 0 22 24 1 0 0 0 0 22 23 2 0 0 0 0 24 25 1 0 0 0 0 27 25 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 30 2 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 27 32 1 0 0 0 0 33 34 2 0 0 0 0 33 36 1 0 0 0 0 34 35 1 0 0 0 0 35 38 2 0 0 0 0 37 36 2 0 0 0 0 38 37 1 0 0 0 0 36 41 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 41 42 1 0 0 0 0 9 43 1 0 0 0 0 43 44 1 0 0 0 0 10 45 1 0 0 0 0 45 46 1 0 0 0 0 M END > (25) 2-aminopyrimidine carbamate, 34 > (25) Src > (25) 1 > (25) 255 > (25) 1 > (25) Src-P23 > (25) P $$$$ Pyrazolo[3,4-d]pyrimidine 14 csChFnd70/05230809552D 43 49 0 0 0 0 0 0 0 0999 V2000 1.2125 11.9115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 9.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 11.2115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 9.1115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 11.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7562 11.6442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 9.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7562 9.3790 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.1890 8.0476 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5457 7.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2114 7.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5903 5.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9468 5.3521 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9246 6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3811 2.9712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8034 1.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1154 2.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6930 3.7028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3260 4.0043 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1707 1.3347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5931 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 12.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7872 15.7111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4532 15.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1540 13.9185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5230 13.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8220 14.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 13.3115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5791 10.5115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0863 17.0786 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1560 15.1931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1909 14.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4203 17.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4551 16.5606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7195 18.8710 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2545 20.1915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6306 19.9338 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9510 20.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6103 21.2756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5658 22.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2363 21.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9955 19.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3250 19.9049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 2 0 0 0 0 3 2 2 0 0 0 0 2 4 1 0 0 0 0 4 7 2 0 0 0 0 6 5 1 0 0 0 0 6 29 2 0 0 0 0 7 8 1 0 0 0 0 8 29 1 0 0 0 0 7 5 1 0 0 0 0 9 8 1 1 0 0 0 10 9 1 0 0 0 0 9 11 1 0 0 0 0 10 14 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 19 1 6 0 0 0 19 15 1 0 0 0 0 19 18 1 0 0 0 0 15 16 1 0 0 0 0 16 20 1 0 0 0 0 20 17 1 0 0 0 0 17 18 1 0 0 0 0 20 21 1 0 0 0 0 6 22 1 0 0 0 0 25 22 1 0 0 0 0 22 26 2 0 0 0 0 23 24 1 0 0 0 0 23 27 2 0 0 0 0 24 25 2 0 0 0 0 26 27 1 0 0 0 0 1 28 1 0 0 0 0 23 30 1 0 0 0 0 30 33 1 0 0 0 0 27 31 1 0 0 0 0 31 32 1 0 0 0 0 35 33 1 6 0 0 0 33 34 2 0 0 0 0 36 35 1 0 0 0 0 35 37 1 0 0 0 0 37 36 1 0 0 0 0 37 38 1 1 0 0 0 41 38 1 0 0 0 0 38 42 2 0 0 0 0 39 40 1 0 0 0 0 43 39 2 0 0 0 0 40 41 2 0 0 0 0 42 43 1 0 0 0 0 M END > (251) Pyrazolo[3,4-d]pyrimidine 14 > (251) Src > (251) 27 > (251) 481 > (251) 1 > (251) Src-P249 > (251) P $$$$ Pyrazolo[3,4-d]pyrimidine 2 csChFnd70/05230809552D 36 41 0 0 0 0 0 0 0 0999 V2000 1.2125 11.9115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 9.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 11.2115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 9.1115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 11.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7562 11.6442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 9.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7562 9.3790 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.1890 8.0475 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5457 7.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2114 7.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5903 5.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9468 5.3521 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9246 6.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3811 2.9712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8034 1.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1154 2.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6930 3.7028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3259 4.0043 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1707 1.3347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5931 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 12.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7871 15.7110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4532 15.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1540 13.9185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5229 13.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8220 14.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0862 17.0788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4201 17.5035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3698 18.9454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9788 18.7873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2527 16.3779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6437 16.5361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2023 17.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 13.3115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5791 10.5115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 2 0 0 0 0 3 2 2 0 0 0 0 2 4 1 0 0 0 0 4 7 2 0 0 0 0 6 5 1 0 0 0 0 6 36 2 0 0 0 0 7 8 1 0 0 0 0 8 36 1 0 0 0 0 7 5 1 0 0 0 0 9 8 1 1 0 0 0 10 9 1 0 0 0 0 9 11 1 0 0 0 0 10 14 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 19 1 6 0 0 0 19 15 1 0 0 0 0 19 18 1 0 0 0 0 15 16 1 0 0 0 0 16 20 1 0 0 0 0 20 17 1 0 0 0 0 17 18 1 0 0 0 0 20 21 1 0 0 0 0 6 22 1 0 0 0 0 25 22 1 0 0 0 0 22 26 2 0 0 0 0 23 24 1 0 0 0 0 23 27 2 0 0 0 0 24 25 2 0 0 0 0 26 27 1 0 0 0 0 23 28 1 0 0 0 0 28 29 1 0 0 0 0 31 29 1 0 0 0 0 29 32 2 0 0 0 0 30 31 2 0 0 0 0 30 34 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 1 35 1 0 0 0 0 M END > (275) Pyrazolo[3,4-d]pyrimidine 2 > (275) Src > (275) 35 > (275) 505 > (275) 1 > (275) Src-P273 > (275) P $$$$ Pyrrolo[2,3-d]pyrimidine 1 csChFnd70/05230809552D 36 41 0 0 0 0 0 0 0 0999 V2000 1.2125 11.9115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 9.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 11.2115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 9.1115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 11.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7562 11.6442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 9.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5791 10.5115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7562 9.3790 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.1890 8.0475 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5457 7.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2114 7.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5903 5.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9468 5.3521 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9246 6.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3811 2.9712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8034 1.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1154 2.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6930 3.7028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3259 4.0043 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1707 1.3347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5931 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 12.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7871 15.7110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4532 15.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1540 13.9185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5229 13.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8220 14.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0862 17.0788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4201 17.5035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3698 18.9454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9788 18.7873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2527 16.3779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6437 16.5361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2023 17.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 13.3115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 2 0 0 0 0 3 2 2 0 0 0 0 2 4 1 0 0 0 0 4 7 2 0 0 0 0 6 5 1 0 0 0 0 6 8 2 0 0 0 0 7 9 1 0 0 0 0 9 8 1 0 0 0 0 7 5 1 0 0 0 0 10 9 1 1 0 0 0 11 10 1 0 0 0 0 10 12 1 0 0 0 0 11 15 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 14 20 1 6 0 0 0 20 16 1 0 0 0 0 20 19 1 0 0 0 0 16 17 1 0 0 0 0 17 21 1 0 0 0 0 21 18 1 0 0 0 0 18 19 1 0 0 0 0 21 22 1 0 0 0 0 6 23 1 0 0 0 0 26 23 1 0 0 0 0 23 27 2 0 0 0 0 24 25 1 0 0 0 0 24 28 2 0 0 0 0 25 26 2 0 0 0 0 27 28 1 0 0 0 0 24 29 1 0 0 0 0 29 30 1 0 0 0 0 32 30 1 0 0 0 0 30 33 2 0 0 0 0 31 32 2 0 0 0 0 31 35 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 1 36 1 0 0 0 0 M END > (289) Pyrrolo[2,3-d]pyrimidine 1 > (289) Src > (289) 42 > (289) 519 > (289) 1 > (289) Src-P287 > (289) P $$$$ Pyrazolo[3,4-d]pyrimidine 15 csChFnd70/05230809552D 43 49 0 0 0 0 0 0 0 0999 V2000 1.2125 11.9115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 9.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 11.2115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 9.1115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 11.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7562 11.6442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 9.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7562 9.3790 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.1890 8.0476 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5457 7.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2114 7.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5903 5.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9468 5.3521 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9246 6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3811 2.9712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8034 1.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1154 2.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6930 3.7028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3260 4.0043 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1707 1.3347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5931 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 12.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7872 15.7111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4532 15.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1540 13.9185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5230 13.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8220 14.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 13.3115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5791 10.5115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0863 17.0786 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1560 15.1931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1909 14.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4203 17.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4551 16.5606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7195 18.8710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0083 19.4179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8013 19.9277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5225 21.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4326 23.1752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0684 23.4903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1134 22.4665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8865 20.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8416 21.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 2 0 0 0 0 3 2 2 0 0 0 0 2 4 1 0 0 0 0 4 7 2 0 0 0 0 6 5 1 0 0 0 0 6 29 2 0 0 0 0 7 8 1 0 0 0 0 8 29 1 0 0 0 0 7 5 1 0 0 0 0 9 8 1 1 0 0 0 10 9 1 0 0 0 0 9 11 1 0 0 0 0 10 14 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 19 1 6 0 0 0 19 15 1 0 0 0 0 19 18 1 0 0 0 0 15 16 1 0 0 0 0 16 20 1 0 0 0 0 20 17 1 0 0 0 0 17 18 1 0 0 0 0 20 21 1 0 0 0 0 6 22 1 0 0 0 0 25 22 1 0 0 0 0 22 26 2 0 0 0 0 23 24 1 0 0 0 0 23 27 2 0 0 0 0 24 25 2 0 0 0 0 26 27 1 0 0 0 0 1 28 1 0 0 0 0 23 30 1 0 0 0 0 30 33 1 0 0 0 0 27 31 1 0 0 0 0 31 32 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 37 35 1 0 0 0 0 35 36 2 0 0 0 0 38 37 1 0 0 0 0 36 42 1 0 0 0 0 41 38 2 0 0 0 0 39 40 2 0 0 0 0 39 43 1 0 0 0 0 40 41 1 0 0 0 0 42 43 2 0 0 0 0 38 42 1 0 0 0 0 M END > (293) Pyrazolo[3,4-d]pyrimidine 15 > (293) Src > (293) 43 > (293) 523 > (293) 1 > (293) Src-P291 > (293) P $$$$ Pyrazolo[3,4-d]pyrimidine 3 csChFnd70/05230809552D 36 41 0 0 0 0 0 0 0 0999 V2000 1.2125 11.9115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 9.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 11.2115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 9.1115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 11.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7562 11.6442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 9.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7562 9.3790 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.1890 8.0475 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5457 7.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2114 7.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5903 5.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9468 5.3521 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9246 6.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3811 2.9712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8034 1.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1154 2.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6930 3.7028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3259 4.0043 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1707 1.3347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5931 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 12.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7871 15.7110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4532 15.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1540 13.9185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5229 13.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8220 14.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 13.3115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5791 10.5115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0863 17.0786 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4203 17.5035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3389 18.9863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9516 18.7988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 16.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6637 16.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1950 17.8786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 2 0 0 0 0 3 2 2 0 0 0 0 2 4 1 0 0 0 0 4 7 2 0 0 0 0 6 5 1 0 0 0 0 6 29 2 0 0 0 0 7 8 1 0 0 0 0 8 29 1 0 0 0 0 7 5 1 0 0 0 0 9 8 1 1 0 0 0 10 9 1 0 0 0 0 9 11 1 0 0 0 0 10 14 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 19 1 6 0 0 0 19 15 1 0 0 0 0 19 18 1 0 0 0 0 15 16 1 0 0 0 0 16 20 1 0 0 0 0 20 17 1 0 0 0 0 17 18 1 0 0 0 0 20 21 1 0 0 0 0 6 22 1 0 0 0 0 25 22 1 0 0 0 0 22 26 2 0 0 0 0 23 24 1 0 0 0 0 23 27 2 0 0 0 0 24 25 2 0 0 0 0 26 27 1 0 0 0 0 1 28 1 0 0 0 0 23 30 1 0 0 0 0 30 31 1 0 0 0 0 33 31 1 0 0 0 0 31 34 2 0 0 0 0 32 33 2 0 0 0 0 32 36 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 M END > (326) Pyrazolo[3,4-d]pyrimidine 3 > (326) Src > (326) 65 > (326) 556 > (326) 1 > (326) Src-P324 > (326) P $$$$ Pyrazolo[3,4-d]pyrimidine 10 csChFnd70/05230809552D 39 44 0 0 0 0 0 0 0 0999 V2000 1.2125 11.9115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 9.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 11.2115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 9.1115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 11.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7562 11.6442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 9.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7562 9.3790 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.1890 8.0476 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5457 7.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2114 7.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5903 5.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9468 5.3521 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9246 6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3811 2.9712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8034 1.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1154 2.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6930 3.7028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3260 4.0043 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1707 1.3347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5931 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 12.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7872 15.7111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4532 15.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1540 13.9185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5230 13.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8220 14.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 13.3115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5791 10.5115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0863 17.0786 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1560 15.1931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1909 14.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4203 17.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7195 18.8710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4544 21.5729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1008 21.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7332 19.8647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0731 19.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4405 20.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 2 0 0 0 0 3 2 2 0 0 0 0 2 4 1 0 0 0 0 4 7 2 0 0 0 0 6 5 1 0 0 0 0 6 29 2 0 0 0 0 7 8 1 0 0 0 0 8 29 1 0 0 0 0 7 5 1 0 0 0 0 9 8 1 1 0 0 0 10 9 1 0 0 0 0 9 11 1 0 0 0 0 10 14 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 19 1 6 0 0 0 19 15 1 0 0 0 0 19 18 1 0 0 0 0 15 16 1 0 0 0 0 16 20 1 0 0 0 0 20 17 1 0 0 0 0 17 18 1 0 0 0 0 20 21 1 0 0 0 0 6 22 1 0 0 0 0 25 22 1 0 0 0 0 22 26 2 0 0 0 0 23 24 1 0 0 0 0 23 27 2 0 0 0 0 24 25 2 0 0 0 0 26 27 1 0 0 0 0 1 28 1 0 0 0 0 23 30 1 0 0 0 0 30 33 1 0 0 0 0 27 31 1 0 0 0 0 31 32 1 0 0 0 0 33 34 1 0 0 0 0 37 34 2 0 0 0 0 34 38 1 0 0 0 0 35 36 2 0 0 0 0 35 39 1 0 0 0 0 36 37 1 0 0 0 0 38 39 2 0 0 0 0 M END > (332) Pyrazolo[3,4-d]pyrimidine 10 > (332) Src > (332) 68 > (332) 562 > (332) 1 > (332) Src-P330 > (332) P $$$$ 31 csChFnd70/05230809552D 44 49 0 0 0 0 0 0 0 0999 V2000 2.4247 13.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 11.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4247 10.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 12.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 12.6000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 11.1998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 13.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8495 10.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0620 11.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8495 9.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0620 8.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2745 9.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2745 10.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4867 8.3999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6992 9.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 11.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1240 9.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1240 10.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6992 10.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 8.3999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3365 8.3999 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 14.5489 9.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5489 10.4998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7614 8.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9737 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1862 11.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9737 10.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1862 8.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3986 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3986 10.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1862 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7614 11.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3365 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5489 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5489 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3365 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3365 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3365 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5489 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5489 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 4 1 0 0 0 0 5 2 1 0 0 0 0 2 3 1 0 0 0 0 3 6 1 0 0 0 0 6 4 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 9 8 2 0 0 0 0 8 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 19 15 2 0 0 0 0 15 20 1 0 0 0 0 16 19 1 0 0 0 0 16 18 2 0 0 0 0 20 17 2 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 21 22 1 0 0 0 0 21 33 1 0 0 0 0 22 24 1 0 0 0 0 22 23 2 0 0 0 0 24 25 1 0 0 0 0 27 25 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 30 2 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 27 32 1 0 0 0 0 33 34 2 0 0 0 0 33 36 1 0 0 0 0 34 35 1 0 0 0 0 35 38 2 0 0 0 0 37 36 2 0 0 0 0 38 37 1 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 39 44 1 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 M END > (360) 2-aminopyrimidine carbamate, 31 > (360) Src > (360) 98 > (360) 590 > (360) 1 > (360) Src-P358 > (360) P $$$$ Pyrazolo[3,4-d]pyrimidine 13 csChFnd70/05230809552D 44 49 0 0 0 0 0 0 0 0999 V2000 1.2125 11.9115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 9.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 11.2115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 9.1115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 11.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7562 11.6442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 9.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7562 9.3790 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.1890 8.0476 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5457 7.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2114 7.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5903 5.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9468 5.3521 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9246 6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3811 2.9712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8034 1.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1154 2.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6930 3.7028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3260 4.0043 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1707 1.3347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5931 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 12.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7872 15.7111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4532 15.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1540 13.9185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5230 13.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8220 14.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 13.3115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5791 10.5115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0863 17.0786 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1560 15.1931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1909 14.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4203 17.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7195 18.8710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4551 16.5606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4405 20.5793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3218 23.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9506 22.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5099 21.6253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8115 20.8622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2522 22.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0731 19.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0731 17.8284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4608 19.0430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 2 0 0 0 0 3 2 2 0 0 0 0 2 4 1 0 0 0 0 4 7 2 0 0 0 0 6 5 1 0 0 0 0 6 29 2 0 0 0 0 7 8 1 0 0 0 0 8 29 1 0 0 0 0 7 5 1 0 0 0 0 9 8 1 1 0 0 0 10 9 1 0 0 0 0 9 11 1 0 0 0 0 10 14 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 19 1 6 0 0 0 19 15 1 0 0 0 0 19 18 1 0 0 0 0 15 16 1 0 0 0 0 16 20 1 0 0 0 0 20 17 1 0 0 0 0 17 18 1 0 0 0 0 20 21 1 0 0 0 0 6 22 1 0 0 0 0 25 22 1 0 0 0 0 22 26 2 0 0 0 0 23 24 1 0 0 0 0 23 27 2 0 0 0 0 24 25 2 0 0 0 0 26 27 1 0 0 0 0 1 28 1 0 0 0 0 23 30 1 0 0 0 0 30 33 1 0 0 0 0 27 31 1 0 0 0 0 31 32 1 0 0 0 0 33 34 1 0 0 0 0 34 42 1 0 0 0 0 33 35 2 0 0 0 0 42 36 1 0 0 0 0 39 36 2 0 0 0 0 36 40 1 0 0 0 0 37 38 2 0 0 0 0 37 41 1 0 0 0 0 38 39 1 0 0 0 0 40 41 2 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 M END > (373) Pyrazolo[3,4-d]pyrimidine 13 > (373) Src > (373) 115 > (373) 603 > (373) 1 > (373) Src-P371 > (373) P $$$$ Pyrazolo[3,4-d]pyrimidine 11 csChFnd70/05230809552D 42 47 0 0 0 0 0 0 0 0999 V2000 1.2125 11.9115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 9.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 11.2115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 9.1115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 11.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7562 11.6442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 9.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7562 9.3790 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.1890 8.0475 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5457 7.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2114 7.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5903 5.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9468 5.3521 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9246 6.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3811 2.9712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8034 1.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1154 2.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6930 3.7028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3259 4.0043 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1707 1.3347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5931 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 12.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7871 15.7110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4532 15.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1540 13.9185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5229 13.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8220 14.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 13.3115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5791 10.5115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0863 17.0786 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1560 15.1931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1909 14.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4203 17.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7195 18.8709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4551 16.5605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0731 19.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4405 20.5793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3218 23.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9506 22.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5099 21.6253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8115 20.8622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2522 22.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 2 0 0 0 0 3 2 2 0 0 0 0 2 4 1 0 0 0 0 4 7 2 0 0 0 0 6 5 1 0 0 0 0 6 29 2 0 0 0 0 7 8 1 0 0 0 0 8 29 1 0 0 0 0 7 5 1 0 0 0 0 9 8 1 1 0 0 0 10 9 1 0 0 0 0 9 11 1 0 0 0 0 10 14 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 19 1 6 0 0 0 19 15 1 0 0 0 0 19 18 1 0 0 0 0 15 16 1 0 0 0 0 16 20 1 0 0 0 0 20 17 1 0 0 0 0 17 18 1 0 0 0 0 20 21 1 0 0 0 0 6 22 1 0 0 0 0 25 22 1 0 0 0 0 22 26 2 0 0 0 0 23 24 1 0 0 0 0 23 27 2 0 0 0 0 24 25 2 0 0 0 0 26 27 1 0 0 0 0 1 28 1 0 0 0 0 23 30 1 0 0 0 0 30 33 1 0 0 0 0 27 31 1 0 0 0 0 31 32 1 0 0 0 0 33 34 1 0 0 0 0 34 36 1 0 0 0 0 33 35 2 0 0 0 0 36 37 1 0 0 0 0 40 37 2 0 0 0 0 37 41 1 0 0 0 0 38 39 2 0 0 0 0 38 42 1 0 0 0 0 39 40 1 0 0 0 0 41 42 2 0 0 0 0 M END > (389) Pyrazolo[3,4-d]pyrimidine 11 > (389) Src > (389) 155 > (389) 619 > (389) 1 > (389) Src-P387 > (389) P $$$$ Pyrazolo[3,4-d]pyrimidine 5 csChFnd70/05230809552D 40 45 0 0 0 0 0 0 0 0999 V2000 1.2125 11.9115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 9.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 11.2115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 9.1115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 11.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7562 11.6442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 9.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7562 9.3790 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.1890 8.0475 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5457 7.7018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2113 7.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5903 5.6977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9468 5.3521 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9246 6.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3811 2.9712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8034 1.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1154 2.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6930 3.7028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3259 4.0043 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1707 1.3347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5931 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 12.9756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7871 15.7110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4532 15.2862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1540 13.9185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5229 13.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8220 14.7681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 13.3115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5791 10.5115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0863 17.0786 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4203 17.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4551 16.5603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7195 18.8709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4390 21.5770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0874 21.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7276 19.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0711 19.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4308 20.5889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1559 15.1931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1909 14.2502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 2 0 0 0 0 3 2 2 0 0 0 0 2 4 1 0 0 0 0 4 7 2 0 0 0 0 6 5 1 0 0 0 0 6 29 2 0 0 0 0 7 8 1 0 0 0 0 8 29 1 0 0 0 0 7 5 1 0 0 0 0 9 8 1 1 0 0 0 10 9 1 0 0 0 0 9 11 1 0 0 0 0 10 14 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 19 1 6 0 0 0 19 15 1 0 0 0 0 19 18 1 0 0 0 0 15 16 1 0 0 0 0 16 20 1 0 0 0 0 20 17 1 0 0 0 0 17 18 1 0 0 0 0 20 21 1 0 0 0 0 6 22 1 0 0 0 0 25 22 1 0 0 0 0 22 26 2 0 0 0 0 23 24 1 0 0 0 0 23 27 2 0 0 0 0 24 25 2 0 0 0 0 26 27 1 0 0 0 0 1 28 1 0 0 0 0 23 30 1 0 0 0 0 30 31 1 0 0 0 0 31 33 1 0 0 0 0 31 32 2 0 0 0 0 36 33 2 0 0 0 0 33 37 1 0 0 0 0 34 35 2 0 0 0 0 34 38 1 0 0 0 0 35 36 1 0 0 0 0 37 38 2 0 0 0 0 27 39 1 0 0 0 0 39 40 1 0 0 0 0 M END > (401) Pyrazolo[3,4-d]pyrimidine 5 > (401) Src > (401) 189 > (401) 631 > (401) 1 > (401) Src-P399 > (401) P $$$$ RPR-108518A csChFnd70/05230809552D 27 29 0 0 0 0 0 0 0 0999 V2000 3.7771 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5648 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5648 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7771 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3523 2.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1398 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3523 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9896 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9896 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2020 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4143 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4143 2.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2020 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2020 4.2000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4145 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6268 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4145 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6268 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8393 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8393 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6268 8.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8393 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0518 7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0518 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0518 4.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2641 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 9 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 10 2 0 0 0 0 2 5 1 0 0 0 0 3 7 1 0 0 0 0 5 6 1 0 0 0 0 7 8 1 0 0 0 0 11 9 1 0 0 0 0 10 9 1 0 0 0 0 10 14 1 0 0 0 0 11 13 2 0 0 0 0 14 12 2 0 0 0 0 12 13 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 18 16 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 21 2 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 17 22 1 0 0 0 0 21 24 1 0 0 0 0 20 26 1 0 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 26 27 1 0 0 0 0 M END > (432) RPR-108518A > (432) Src > (432) 280 > (432) 662 > (432) 1 > (432) Src-P430 > (432) P $$$$ Pyrazolo[3,4-d]pyrimidine 7 csChFnd70/05230809552D 41 46 0 0 0 0 0 0 0 0999 V2000 1.2125 11.9114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 9.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 11.2114 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 9.1114 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 11.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7562 11.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 9.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7562 9.3789 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.1889 8.0475 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5456 7.7018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2113 7.0454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5902 5.6977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9468 5.3520 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9246 6.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3810 2.9712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8034 1.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1153 2.3679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6929 3.7027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3259 4.0043 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1706 1.3347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5930 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1889 12.9755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7871 15.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4531 15.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1539 13.9183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5229 13.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8219 14.7680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 13.3113 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5791 10.5114 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0863 17.0784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4202 17.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4550 16.5602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1559 15.1929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1908 14.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7194 18.8707 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0534 19.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9280 20.8338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5467 20.6057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9414 18.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3227 18.4412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8160 19.7514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 2 0 0 0 0 3 2 2 0 0 0 0 2 4 1 0 0 0 0 4 7 2 0 0 0 0 6 5 1 0 0 0 0 6 29 2 0 0 0 0 7 8 1 0 0 0 0 8 29 1 0 0 0 0 7 5 1 0 0 0 0 9 8 1 1 0 0 0 10 9 1 0 0 0 0 9 11 1 0 0 0 0 10 14 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 19 1 6 0 0 0 19 15 1 0 0 0 0 19 18 1 0 0 0 0 15 16 1 0 0 0 0 16 20 1 0 0 0 0 20 17 1 0 0 0 0 17 18 1 0 0 0 0 20 21 1 0 0 0 0 6 22 1 0 0 0 0 25 22 1 0 0 0 0 22 26 2 0 0 0 0 23 24 1 0 0 0 0 23 27 2 0 0 0 0 24 25 2 0 0 0 0 26 27 1 0 0 0 0 1 28 1 0 0 0 0 23 30 1 0 0 0 0 30 31 1 0 0 0 0 31 35 1 0 0 0 0 31 32 2 0 0 0 0 27 33 1 0 0 0 0 33 34 1 0 0 0 0 35 36 1 0 0 0 0 38 36 1 0 0 0 0 36 39 2 0 0 0 0 37 38 2 0 0 0 0 37 41 1 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 M END > (439) Pyrazolo[3,4-d]pyrimidine 7 > (439) Src > (439) 310 > (439) 669 > (439) 1 > (439) Src-P437 > (439) P $$$$ Pyrazolo[3,4-d]pyrimidine 4 csChFnd70/05230809552D 37 42 0 0 0 0 0 0 0 0999 V2000 1.2125 11.9114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 9.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 11.2114 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 9.1115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 11.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7562 11.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 9.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7562 9.3789 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.1889 8.0475 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5456 7.7018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2113 7.0454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5903 5.6977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9468 5.3520 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9246 6.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3810 2.9712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8034 1.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1153 2.3679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6930 3.7028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3259 4.0043 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1706 1.3347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5930 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1889 12.9756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7871 15.7109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4531 15.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1540 13.9184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5229 13.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8219 14.7681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 13.3114 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5791 10.5114 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4203 17.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3388 18.9862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9516 18.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 16.3956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6636 16.5831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1949 17.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0863 17.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0513 18.0213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 2 0 0 0 0 3 2 2 0 0 0 0 2 4 1 0 0 0 0 4 7 2 0 0 0 0 6 5 1 0 0 0 0 6 29 2 0 0 0 0 7 8 1 0 0 0 0 8 29 1 0 0 0 0 7 5 1 0 0 0 0 9 8 1 1 0 0 0 10 9 1 0 0 0 0 9 11 1 0 0 0 0 10 14 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 19 1 6 0 0 0 19 15 1 0 0 0 0 19 18 1 0 0 0 0 15 16 1 0 0 0 0 16 20 1 0 0 0 0 20 17 1 0 0 0 0 17 18 1 0 0 0 0 20 21 1 0 0 0 0 6 22 1 0 0 0 0 25 22 1 0 0 0 0 22 26 2 0 0 0 0 23 24 1 0 0 0 0 23 27 2 0 0 0 0 24 25 2 0 0 0 0 26 27 1 0 0 0 0 1 28 1 0 0 0 0 23 36 1 0 0 0 0 36 30 1 0 0 0 0 32 30 1 0 0 0 0 30 33 2 0 0 0 0 31 32 2 0 0 0 0 31 35 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 36 37 2 0 0 0 0 M END > (465) Pyrazolo[3,4-d]pyrimidine 4 > (465) Src > (465) 427 > (465) 695 > (465) 1 > (465) Src-P463 > (465) P $$$$ Pyrazolo[3,4-d]pyrimidine 12 csChFnd70/05230809552D 44 49 0 0 0 0 0 0 0 0999 V2000 1.2125 11.9115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 9.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 11.2115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 9.1115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 11.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7562 11.6442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 9.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7562 9.3790 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.1890 8.0475 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5457 7.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2114 7.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5903 5.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9468 5.3521 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9246 6.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3811 2.9712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8034 1.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1154 2.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6930 3.7028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3259 4.0043 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1707 1.3347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5931 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 12.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7871 15.7110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4532 15.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1540 13.9185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5229 13.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8220 14.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 13.3115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5791 10.5115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0863 17.0786 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1560 15.1931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1909 14.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4203 17.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7195 18.8709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4551 16.5605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0731 19.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4405 20.5793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3218 23.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9506 22.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5099 21.6253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8115 20.8622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2522 22.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7086 19.8396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0699 20.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 2 0 0 0 0 3 2 2 0 0 0 0 2 4 1 0 0 0 0 4 7 2 0 0 0 0 6 5 1 0 0 0 0 6 29 2 0 0 0 0 7 8 1 0 0 0 0 8 29 1 0 0 0 0 7 5 1 0 0 0 0 9 8 1 1 0 0 0 10 9 1 0 0 0 0 9 11 1 0 0 0 0 10 14 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 19 1 6 0 0 0 19 15 1 0 0 0 0 19 18 1 0 0 0 0 15 16 1 0 0 0 0 16 20 1 0 0 0 0 20 17 1 0 0 0 0 17 18 1 0 0 0 0 20 21 1 0 0 0 0 6 22 1 0 0 0 0 25 22 1 0 0 0 0 22 26 2 0 0 0 0 23 24 1 0 0 0 0 23 27 2 0 0 0 0 24 25 2 0 0 0 0 26 27 1 0 0 0 0 1 28 1 0 0 0 0 23 30 1 0 0 0 0 30 33 1 0 0 0 0 27 31 1 0 0 0 0 31 32 1 0 0 0 0 33 34 1 0 0 0 0 34 36 1 0 0 0 0 33 35 2 0 0 0 0 36 37 1 0 0 0 0 40 37 2 0 0 0 0 37 41 1 0 0 0 0 38 39 2 0 0 0 0 38 42 1 0 0 0 0 39 40 1 0 0 0 0 41 42 2 0 0 0 0 34 43 1 0 0 0 0 34 44 1 0 0 0 0 M END > (475) Pyrazolo[3,4-d]pyrimidine 12 > (475) Src > (475) 460 > (475) 705 > (475) 1 > (475) Src-P473 > (475) P $$$$ Pyrazolo[3,4-d]pyrimidine 9 csChFnd70/05230809552D 42 47 0 0 0 0 0 0 0 0999 V2000 1.2125 11.9115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 9.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 11.2115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 9.1115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 11.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7562 11.6442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 9.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7562 9.3790 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.1890 8.0476 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5457 7.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2114 7.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5903 5.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9468 5.3521 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9246 6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3811 2.9712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8034 1.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1154 2.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6930 3.7028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3260 4.0043 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1707 1.3347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5931 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 12.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7872 15.7111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4532 15.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1540 13.9185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5230 13.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8220 14.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 13.3115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5791 10.5115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0863 17.0786 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1560 15.1931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1909 14.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4203 17.5034 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.8203 17.5034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4203 16.1034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7195 18.8710 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0535 19.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8942 20.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5183 20.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9649 18.2329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3408 18.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8056 19.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 2 0 0 0 0 3 2 2 0 0 0 0 2 4 1 0 0 0 0 4 7 2 0 0 0 0 6 5 1 0 0 0 0 6 29 2 0 0 0 0 7 8 1 0 0 0 0 8 29 1 0 0 0 0 7 5 1 0 0 0 0 9 8 1 1 0 0 0 10 9 1 0 0 0 0 9 11 1 0 0 0 0 10 14 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 19 1 6 0 0 0 19 15 1 0 0 0 0 19 18 1 0 0 0 0 15 16 1 0 0 0 0 16 20 1 0 0 0 0 20 17 1 0 0 0 0 17 18 1 0 0 0 0 20 21 1 0 0 0 0 6 22 1 0 0 0 0 25 22 1 0 0 0 0 22 26 2 0 0 0 0 23 24 1 0 0 0 0 23 27 2 0 0 0 0 24 25 2 0 0 0 0 26 27 1 0 0 0 0 1 28 1 0 0 0 0 23 30 1 0 0 0 0 30 33 1 0 0 0 0 27 31 1 0 0 0 0 31 32 1 0 0 0 0 33 36 1 0 0 0 0 33 35 2 0 0 0 0 33 34 2 0 0 0 0 36 37 1 0 0 0 0 39 37 1 0 0 0 0 37 40 2 0 0 0 0 38 39 2 0 0 0 0 38 42 1 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 M END > (476) Pyrazolo[3,4-d]pyrimidine 9 > (476) Src > (476) 463 > (476) 706 > (476) 1 > (476) Src-P474 > (476) P $$$$ 32 csChFnd70/05230809552D 44 49 0 0 0 0 0 0 0 0999 V2000 2.4247 11.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 9.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4247 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 10.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 10.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 9.0999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 11.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8495 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0620 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8495 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0620 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2745 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2745 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4867 6.2999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6992 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1240 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1240 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6992 8.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 6.2999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3365 6.2999 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 14.5489 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5489 8.3998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7614 6.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9737 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1862 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9737 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1862 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3986 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3986 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1862 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7614 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3365 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5489 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5489 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3365 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7614 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9737 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7614 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9737 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1862 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1862 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 4 1 0 0 0 0 5 2 1 0 0 0 0 2 3 1 0 0 0 0 3 6 1 0 0 0 0 6 4 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 9 8 2 0 0 0 0 8 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 19 15 2 0 0 0 0 15 20 1 0 0 0 0 16 19 1 0 0 0 0 16 18 2 0 0 0 0 20 17 2 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 21 22 1 0 0 0 0 21 33 1 0 0 0 0 22 24 1 0 0 0 0 22 23 2 0 0 0 0 24 25 1 0 0 0 0 27 25 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 30 2 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 27 32 1 0 0 0 0 33 34 2 0 0 0 0 33 36 1 0 0 0 0 34 35 1 0 0 0 0 35 38 2 0 0 0 0 37 36 2 0 0 0 0 38 37 1 0 0 0 0 37 39 1 0 0 0 0 40 39 1 0 0 0 0 39 41 2 0 0 0 0 40 44 2 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 43 44 1 0 0 0 0 M END > (485) 2-aminopyrimidine carbamate, 32 > (485) Src > (485) 500 > (485) 715 > (485) 1 > (485) Src-P483 > (485) P $$$$ 33 csChFnd70/05230809552D 44 48 0 0 0 0 0 0 0 0999 V2000 2.4247 11.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 9.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4247 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 10.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 10.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 9.0999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 11.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8495 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0620 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8495 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0620 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2745 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2745 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4867 6.2999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6992 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1240 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1240 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6992 8.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 6.2999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3365 6.2999 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 14.5489 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5489 8.3998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7614 6.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9737 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1862 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9737 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1862 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3986 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3986 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1862 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7614 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3365 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5489 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5489 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3365 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3365 0.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7614 4.8999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9737 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0620 10.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2745 11.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 4 1 0 0 0 0 5 2 1 0 0 0 0 2 3 1 0 0 0 0 3 6 1 0 0 0 0 6 4 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 9 8 2 0 0 0 0 8 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 19 15 2 0 0 0 0 15 20 1 0 0 0 0 16 19 1 0 0 0 0 16 18 2 0 0 0 0 20 17 2 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 21 22 1 0 0 0 0 21 33 1 0 0 0 0 22 24 1 0 0 0 0 22 23 2 0 0 0 0 24 25 1 0 0 0 0 27 25 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 30 2 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 27 32 1 0 0 0 0 33 34 2 0 0 0 0 33 36 1 0 0 0 0 34 35 1 0 0 0 0 35 38 2 0 0 0 0 37 36 2 0 0 0 0 38 37 1 0 0 0 0 36 41 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 41 42 1 0 0 0 0 9 43 1 0 0 0 0 43 44 1 0 0 0 0 M END > (52) 2-aminopyrimidine carbamate, 33 > (52) Src > (52) 2 > (52) 282 > (52) 1 > (52) Src-P50 > (52) P $$$$ 42 csChFnd70/05230809552D 48 52 0 0 0 0 0 0 0 0999 V2000 3.6373 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2745 6.2999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4869 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6994 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4869 8.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6994 6.2999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 6.2999 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 13.3366 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3366 8.3998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5491 6.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7614 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9739 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7614 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9739 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1863 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1863 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9739 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5491 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9119 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9119 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3366 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3366 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 0.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9119 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5491 4.8999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7614 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 9.0999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 9.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 10.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 13.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 12.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 10.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 11.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 11.1998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 10.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 11.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 12.6000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 13.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34 1 1 0 0 0 0 37 1 2 0 0 0 0 1 38 1 0 0 0 0 37 4 1 0 0 0 0 38 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 10 6 2 0 0 0 0 6 11 1 0 0 0 0 7 10 1 0 0 0 0 7 9 2 0 0 0 0 11 8 2 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 12 13 1 0 0 0 0 12 24 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 18 16 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 21 2 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 19 22 1 0 0 0 0 18 23 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 26 29 2 0 0 0 0 28 27 2 0 0 0 0 29 28 1 0 0 0 0 27 32 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 32 33 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 39 1 0 0 0 0 39 44 1 0 0 0 0 41 44 1 0 0 0 0 44 42 1 0 0 0 0 40 41 1 0 0 0 0 40 47 1 0 0 0 0 42 43 1 0 0 0 0 43 47 1 0 0 0 0 37 45 1 0 0 0 0 45 46 1 0 0 0 0 47 48 1 0 0 0 0 M END > (53) 2-aminopyrimidine carbamate, 42 > (53) Src > (53) 2 > (53) 283 > (53) 1 > (53) Src-P51 > (53) P $$$$ 40 csChFnd70/05230809552D 48 52 0 0 0 0 0 0 0 0999 V2000 4.8495 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0620 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2745 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2745 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4867 6.2999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6992 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1240 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1240 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6992 8.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 6.2999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3365 6.2999 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 14.5489 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5489 8.3998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7614 6.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9737 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1862 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9737 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1862 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3986 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3986 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1862 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7614 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3365 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5489 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5489 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3365 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3365 0.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7614 4.8999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9737 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 9.0999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4247 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 9.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 12.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 11.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4247 11.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4247 12.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 10.4998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0620 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8495 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 6.2999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4247 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0620 10.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8495 11.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 13.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34 1 1 0 0 0 0 42 1 2 0 0 0 0 1 43 1 0 0 0 0 42 4 1 0 0 0 0 43 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 10 6 2 0 0 0 0 6 11 1 0 0 0 0 7 10 1 0 0 0 0 7 9 2 0 0 0 0 11 8 2 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 12 13 1 0 0 0 0 12 24 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 18 16 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 21 2 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 19 22 1 0 0 0 0 18 23 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 26 29 2 0 0 0 0 28 27 2 0 0 0 0 29 28 1 0 0 0 0 27 32 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 32 33 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 41 1 0 0 0 0 38 41 1 0 0 0 0 41 39 1 0 0 0 0 48 37 1 0 0 0 0 48 40 1 0 0 0 0 37 38 1 0 0 0 0 39 40 1 0 0 0 0 42 46 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 46 47 1 0 0 0 0 M END > (54) 2-aminopyrimidine carbamate, 40 > (54) Src > (54) 2 > (54) 284 > (54) 1 > (54) Src-P52 > (54) P $$$$ 35 csChFnd70/05230809552D 43 47 0 0 0 0 0 0 0 0999 V2000 2.4247 11.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 9.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4247 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 10.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 10.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 9.0999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 11.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8495 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0620 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8495 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0620 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2745 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2745 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4867 6.2999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6992 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1240 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1240 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6992 8.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 6.2999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3365 6.2999 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 14.5489 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5489 8.3998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7614 6.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9737 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1862 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9737 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1862 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3986 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3986 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1862 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7614 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3365 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5489 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5489 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3365 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3365 0.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7614 4.8999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9737 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0620 10.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 4 1 0 0 0 0 5 2 1 0 0 0 0 2 3 1 0 0 0 0 3 6 1 0 0 0 0 6 4 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 9 8 2 0 0 0 0 8 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 19 15 2 0 0 0 0 15 20 1 0 0 0 0 16 19 1 0 0 0 0 16 18 2 0 0 0 0 20 17 2 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 21 22 1 0 0 0 0 21 33 1 0 0 0 0 22 24 1 0 0 0 0 22 23 2 0 0 0 0 24 25 1 0 0 0 0 27 25 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 30 2 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 27 32 1 0 0 0 0 33 34 2 0 0 0 0 33 36 1 0 0 0 0 34 35 1 0 0 0 0 35 38 2 0 0 0 0 37 36 2 0 0 0 0 38 37 1 0 0 0 0 36 41 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 41 42 1 0 0 0 0 9 43 1 0 0 0 0 M END > (55) 2-aminopyrimidine carbamate, 35 > (55) Src > (55) 2 > (55) 285 > (55) 1 > (55) Src-P53 > (55) P $$$$ 26 csChFnd70/05230809552D 40 44 0 0 0 0 0 0 0 0999 V2000 2.4247 11.1997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 9.0995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4247 8.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 10.4997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 10.4997 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 9.0995 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 11.1997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8495 8.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0620 9.0997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8495 6.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0620 6.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2745 6.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2745 8.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4867 6.2996 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6992 6.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 9.0997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1240 6.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1240 8.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6992 8.3997 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 6.2996 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3365 6.2996 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 13.3365 4.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1243 4.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1246 2.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3371 2.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5494 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5491 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5489 6.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5489 8.3995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7614 6.2997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9737 6.9997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1862 9.0997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9737 8.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1862 6.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3986 6.9997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3986 8.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7614 9.0997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1862 4.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3376 0.6996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5501 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 4 1 0 0 0 0 5 2 1 0 0 0 0 2 3 1 0 0 0 0 3 6 1 0 0 0 0 6 4 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 9 8 2 0 0 0 0 8 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 19 15 2 0 0 0 0 15 20 1 0 0 0 0 16 19 1 0 0 0 0 16 18 2 0 0 0 0 20 17 2 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 21 28 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 28 30 1 0 0 0 0 28 29 2 0 0 0 0 30 31 1 0 0 0 0 33 31 2 0 0 0 0 31 34 1 0 0 0 0 32 33 1 0 0 0 0 32 36 2 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 33 37 1 0 0 0 0 34 38 1 0 0 0 0 25 39 1 0 0 0 0 39 40 1 0 0 0 0 M END > (77) 2-aminopyrimidine carbamate, 26 > (77) Src > (77) 3 > (77) 307 > (77) 1 > (77) Src-P75 > (77) P $$$$ 37 csChFnd70/05230809552D 42 45 0 0 0 0 0 0 0 0999 V2000 6.0621 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 9.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4870 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4870 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6994 6.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9118 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1243 9.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3366 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3366 8.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9118 8.4001 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1243 6.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.5491 6.3000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 15.7616 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7616 8.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9741 6.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1864 7.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3989 9.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1864 8.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3989 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6114 7.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6114 8.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3989 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9741 9.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5491 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3368 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3368 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7616 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7616 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5491 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5491 0.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3368 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9741 4.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1864 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 9.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 10.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 11.2000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 12.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 10.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36 1 1 0 0 0 0 2 1 2 0 0 0 0 1 3 1 0 0 0 0 2 6 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 5 7 1 0 0 0 0 7 8 1 0 0 0 0 12 8 2 0 0 0 0 8 13 1 0 0 0 0 9 12 1 0 0 0 0 9 11 2 0 0 0 0 13 10 2 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 14 15 1 0 0 0 0 14 26 1 0 0 0 0 15 17 1 0 0 0 0 15 16 2 0 0 0 0 17 18 1 0 0 0 0 20 18 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 23 2 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 21 24 1 0 0 0 0 20 25 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 28 31 2 0 0 0 0 30 29 2 0 0 0 0 31 30 1 0 0 0 0 29 34 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 34 35 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 M END > (86) 2-aminopyrimidine carbamate, 37 > (86) Src > (86) 4 > (86) 316 > (86) 1 > (86) Src-P84 > (86) P $$$$ 36 csChFnd70/05230809552D 41 44 0 0 0 0 0 0 0 0999 V2000 4.8497 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4869 6.2999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6994 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9119 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6994 8.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9119 6.2999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3366 6.2999 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 14.5491 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5491 8.3998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7616 6.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9739 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1863 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9739 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1863 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3988 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3988 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1863 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7616 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3366 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1243 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1243 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5491 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5491 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3366 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3366 0.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1243 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7616 4.8999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9739 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6374 9.0999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 9.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 10.4998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 11.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 11.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36 1 1 0 0 0 0 2 1 2 0 0 0 0 1 3 1 0 0 0 0 2 6 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 5 7 1 0 0 0 0 7 8 1 0 0 0 0 12 8 2 0 0 0 0 8 13 1 0 0 0 0 9 12 1 0 0 0 0 9 11 2 0 0 0 0 13 10 2 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 14 15 1 0 0 0 0 14 26 1 0 0 0 0 15 17 1 0 0 0 0 15 16 2 0 0 0 0 17 18 1 0 0 0 0 20 18 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 23 2 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 21 24 1 0 0 0 0 20 25 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 28 31 2 0 0 0 0 30 29 2 0 0 0 0 31 30 1 0 0 0 0 29 34 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 34 35 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 M END > (87) 2-aminopyrimidine carbamate, 36 > (87) Src > (87) 4 > (87) 317 > (87) 1 > (87) Src-P85 > (87) P $$$$ 25 csChFnd70/05230809552D 40 44 0 0 0 0 0 0 0 0999 V2000 2.4247 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4247 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 8.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 6.9999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8495 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0620 7.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8495 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0620 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2745 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2745 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4867 4.1999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6992 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 7.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1240 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1240 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6992 6.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 4.1999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3365 4.1999 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 13.3365 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1243 2.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1246 0.6996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3371 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5494 0.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5491 2.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5489 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5489 6.2999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7614 4.2001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9737 4.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1862 7.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9737 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1862 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3986 4.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3986 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7614 7.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1862 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7614 2.8006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9737 2.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 4 1 0 0 0 0 5 2 1 0 0 0 0 2 3 1 0 0 0 0 3 6 1 0 0 0 0 6 4 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 9 8 2 0 0 0 0 8 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 19 15 2 0 0 0 0 15 20 1 0 0 0 0 16 19 1 0 0 0 0 16 18 2 0 0 0 0 20 17 2 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 21 28 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 28 30 1 0 0 0 0 28 29 2 0 0 0 0 30 31 1 0 0 0 0 33 31 2 0 0 0 0 31 34 1 0 0 0 0 32 33 1 0 0 0 0 32 36 2 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 33 37 1 0 0 0 0 34 38 1 0 0 0 0 27 39 1 0 0 0 0 39 40 1 0 0 0 0 M END > (88) 2-aminopyrimidine carbamate, 25 > (88) Src > (88) 4 > (88) 318 > (88) 1 > (88) Src-P86 > (88) P $$$$