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 48 51 0 0 0 0 0 0 0 0999 V2000 0.5020 0.8371 -0.4436 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5299 -0.4157 -0.0269 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5629 -0.9321 0.6032 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6457 -0.1965 0.8518 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6592 1.1432 0.4258 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5360 1.6494 -0.2416 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8428 -0.4418 1.4682 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6225 0.6833 1.4552 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9599 1.6893 0.8333 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5033 2.9612 -0.6799 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4519 3.0699 0.6088 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9858 3.8021 1.6684 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4431 5.0859 1.4562 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3717 5.6493 0.1892 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8405 4.9227 -0.8679 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3868 3.6364 -0.6635 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8222 6.9148 -0.0164 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1328 7.0814 -0.3385 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6682 8.3634 -0.4459 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0061 8.5269 -0.7743 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8038 7.4197 -0.9938 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2717 6.1479 -0.8874 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9406 5.9768 -0.5549 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8584 9.4828 -0.2237 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2336 -1.7245 2.0582 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4949 -2.2421 1.3638 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5140 -1.5353 3.5503 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3306 -1.0420 -0.2107 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6144 0.7581 1.8758 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7196 3.2991 -1.1409 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2640 3.5430 -0.5262 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0410 3.3647 2.6542 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8568 5.6536 2.2765 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7863 5.3638 -1.8523 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9778 3.0701 -1.4871 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4241 9.5191 -0.8587 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8452 7.5482 -1.2494 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8988 5.2857 -1.0602 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5293 4.9819 -0.4683 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9230 9.3669 0.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2324 10.3746 -0.2988 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4260 -2.4450 1.9288 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3025 -1.5216 1.4932 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7856 -3.1965 1.8028 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2951 -2.3769 0.3008 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8047 -2.4897 3.9893 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3216 -0.8148 3.6797 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6154 -1.1665 4.0450 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 25 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 24 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 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 42 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 M END > (402) 402 > (402) C21H21N5O > (402) 359.42434 > (402) 11012022-19 > (402) 11012022 > (402) 19 > (402) 554 > (402) src > (402) 2000 > (402) -1 $$$$ Wcorina 06010716263D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 54 58 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 7.2261 10.8387 0.3325 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 7.0218 11.1891 1.3442 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2966 10.8990 0.1364 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6900 11.4621 -0.3831 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 30 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 50 1 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 M END > (403) 403 > (403) C24H24N4O2 > (403) 400.47296 > (403) 11012022-20 > (403) 11012022 > (403) 20 > (403) 68 > (403) src > (403) 2000 > (403) -1 $$$$ 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 $$$$ AZD0530 analogue 31 csChFnd70/05230809552D 34 38 0 0 0 0 0 0 0 0999 V2000 12.1242 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5491 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9118 4.2000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9118 2.8000 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 12.1242 2.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9118 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6994 0.8061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6994 2.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4869 2.9061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 2.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 0.8061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4869 0.1061 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 13.3366 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4869 4.3061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2744 5.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2744 6.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 4.3061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 0.1061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8496 0.8061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 0.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 2.9061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 0.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 2.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 0.8061 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.2061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 6.3000 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 11.6533 8.5157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3366 2.8000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 11.0838 7.2369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0456 8.3693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30 2 1 0 0 0 0 29 1 1 0 0 0 0 1 15 2 0 0 0 0 14 2 2 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 4 9 1 0 0 0 0 4 6 2 0 0 0 0 8 7 1 0 0 0 0 7 5 2 0 0 0 0 5 6 1 0 0 0 0 13 8 2 0 0 0 0 9 8 1 0 0 0 0 10 9 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 15 14 1 0 0 0 0 10 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 12 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 27 1 0 0 0 0 25 27 1 0 0 0 0 27 26 1 0 0 0 0 23 28 1 0 0 0 0 23 26 1 0 0 0 0 28 24 1 0 0 0 0 24 25 1 0 0 0 0 29 33 1 0 0 0 0 30 29 2 0 0 0 0 30 34 1 0 0 0 0 34 31 1 0 0 0 0 31 33 1 0 0 0 0 15 32 1 0 0 0 0 M END > (110) AZD0530 analogue 31 > (110) Src > (110) 5 > (110) 340 > (110) 1 > (110) Src-P108 > (110) P $$$$ 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 $$$$ 34.mol csChFnd70/05210813072D 34 37 0 0 0 0 0 0 0 0999 V2000 0.7000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 1.2124 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 2.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 2.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1999 1.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 2.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1999 3.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 4.8497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2999 4.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9999 3.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3998 3.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0999 4.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3998 6.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9999 6.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0999 2.4249 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4998 2.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1998 3.6373 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4998 4.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2997 4.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5997 6.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1998 6.0621 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6997 4.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3997 6.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6997 7.2745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2997 7.2745 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0999 7.2745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0999 9.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3998 8.4870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9999 8.4870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5997 3.6373 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 15.3997 8.4870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7996 8.4870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 13 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 14 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 20 1 0 0 0 0 21 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 27 22 1 0 0 0 0 15 28 1 0 0 0 0 28 30 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 21 32 1 0 0 0 0 26 33 1 0 0 0 0 33 34 1 0 0 0 0 M END > (114) 22a > (114) PMID_16203139 > (114) 2005 > (114) SRC > (114) <4 > (114) 1 > (114) 112 > (114) SRC-P112 $$$$ 23b.mol csChFnd70/05210813072D 33 36 0 0 0 0 0 0 0 0999 V2000 2.8096 7.2750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2095 7.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9095 8.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3094 8.4874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0094 7.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3099 6.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0098 4.8504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4098 4.8504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1096 6.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4098 7.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3099 3.6382 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0098 2.4258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4098 2.4258 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1096 3.6370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5097 1.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2096 2.4246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5097 3.6370 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2096 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6096 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3094 1.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6096 2.4246 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5097 6.0628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6096 7.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2096 7.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5097 8.4876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1096 1.2122 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 14.7095 1.2122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4093 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1072 8.4915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7024 8.4915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7024 6.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1072 6.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 7 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 8 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 14 1 0 0 0 0 15 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 16 1 0 0 0 0 9 22 1 0 0 0 0 22 24 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 15 26 1 0 0 0 0 20 27 1 0 0 0 0 27 28 1 0 0 0 0 3 2 1 0 0 0 0 1 29 1 0 0 0 0 29 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 1 1 0 0 0 0 M END > (115) 23a > (115) PMID_16203139 > (115) 2005 > (115) SRC > (115) 20 > (115) 1 > (115) 113 > (115) SRC-P113 $$$$ AZD0530 analogue 18 csChFnd70/05230809552D 37 42 0 0 0 0 0 0 0 0999 V2000 12.1242 6.8938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5491 8.2938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9119 6.1939 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9119 4.7939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 2.6939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 4.0939 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9119 1.9939 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6994 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6994 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4870 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2747 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2747 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4870 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4870 6.2999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 2.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2747 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 9.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8499 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 7.2747 8.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8499 8.3999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5491 6.8938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3367 6.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 0.7000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 8.2938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3367 8.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6533 10.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0838 9.2307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0457 10.3631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3367 4.7939 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 33 2 1 0 0 0 0 32 1 1 0 0 0 0 1 23 2 0 0 0 0 22 2 2 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 4 9 1 0 0 0 0 4 6 2 0 0 0 0 8 7 1 0 0 0 0 7 5 2 0 0 0 0 5 6 1 0 0 0 0 13 8 2 0 0 0 0 9 8 1 0 0 0 0 10 9 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 10 14 1 0 0 0 0 14 16 1 0 0 0 0 12 15 1 0 0 0 0 15 24 1 0 0 0 0 19 16 1 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 17 20 1 0 0 0 0 21 18 1 0 0 0 0 18 19 1 0 0 0 0 23 22 1 0 0 0 0 24 25 1 0 0 0 0 29 25 1 0 0 0 0 26 25 1 0 0 0 0 26 27 1 0 0 0 0 27 30 1 0 0 0 0 30 28 1 0 0 0 0 28 29 1 0 0 0 0 30 31 1 0 0 0 0 23 37 1 0 0 0 0 32 35 1 0 0 0 0 33 32 2 0 0 0 0 33 36 1 0 0 0 0 36 34 1 0 0 0 0 34 35 1 0 0 0 0 M END > (116) AZD0530 analogue 18 > (116) Src > (116) 6 > (116) 346 > (116) 1 > (116) Src-P114 > (116) P $$$$ 22a.mol csChFnd70/05210813072D 33 36 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4001 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 1.2125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4001 2.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5002 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2001 2.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5002 3.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2001 4.8499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6002 4.8499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3001 3.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7003 3.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4002 4.8499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7003 6.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3001 6.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4002 2.4250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8003 2.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5002 3.6374 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8003 4.8499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 4.8499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9003 6.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5002 6.0624 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0004 4.8499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7003 6.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0004 7.2749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 7.2749 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4002 7.2749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4002 9.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7003 8.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3001 8.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9003 3.6374 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 14.7003 8.4874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1004 8.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 3 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 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 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 12 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 13 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 19 1 0 0 0 0 20 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 21 1 0 0 0 0 14 27 1 0 0 0 0 27 29 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 20 31 1 0 0 0 0 25 32 1 0 0 0 0 32 33 1 0 0 0 0 5 1 1 0 0 0 0 M END > (116) 22b > (116) PMID_16203139 > (116) 2005 > (116) SRC > (116) 6 > (116) 1 > (116) 114 > (116) SRC-P114 $$$$ 23c.mol csChFnd70/05210813072D 32 35 0 0 0 0 0 0 0 0999 V2000 0.0000 6.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 6.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1001 7.2749 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 8.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 8.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5001 7.2749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2001 8.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6001 8.4874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3002 7.2749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6003 6.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3002 4.8501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7003 4.8501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4002 6.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7003 7.2749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6003 3.6376 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3002 2.4251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7003 2.4251 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4002 3.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8004 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5003 2.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8004 3.6373 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5003 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9004 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6004 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9004 2.4250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8004 6.0624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9004 7.2749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5003 7.2749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8004 8.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4002 1.2125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 14.0005 1.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7004 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 3 6 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 9 1 0 0 0 0 11 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 12 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 18 1 0 0 0 0 19 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 20 1 0 0 0 0 13 26 1 0 0 0 0 26 28 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 19 30 1 0 0 0 0 24 31 1 0 0 0 0 31 32 1 0 0 0 0 7 6 1 0 0 0 0 5 1 1 0 0 0 0 M END > (117) 23b > (117) PMID_16203139 > (117) 2005 > (117) SRC > (117) 15 > (117) 1 > (117) 115 > (117) SRC-P115 $$$$ 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 $$$$ 22b.mol csChFnd70/05210813072D 35 38 0 0 0 0 0 0 0 0999 V2000 2.1024 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5026 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2025 1.2125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5026 2.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1024 2.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6026 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3025 2.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6026 3.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3025 4.8499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7026 4.8499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4025 3.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8026 3.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5025 4.8499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8026 6.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4025 6.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5025 2.4250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9027 2.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6026 3.6374 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9027 4.8499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7028 4.8499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0027 6.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6027 6.0624 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.1027 4.8499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8028 6.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1027 7.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7028 7.2748 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5025 7.2748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5025 9.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8026 8.4873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4025 8.4873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0027 3.6374 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 16.8028 8.4873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2028 8.4873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 1.2072 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 3 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 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 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 12 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 13 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 19 1 0 0 0 0 20 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 21 1 0 0 0 0 14 27 1 0 0 0 0 27 29 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 20 31 1 0 0 0 0 25 32 1 0 0 0 0 32 33 1 0 0 0 0 5 34 1 0 0 0 0 34 1 1 0 0 0 0 34 35 1 0 0 0 0 M END > (118) 22c > (118) PMID_16203139 > (118) 2005 > (118) SRC > (118) <4 > (118) 1 > (118) 116 > (118) SRC-P116 $$$$ 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 $$$$ 23d.mol csChFnd70/05210813072D 34 37 0 0 0 0 0 0 0 0999 V2000 2.1024 6.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5024 6.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2025 7.2749 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5024 8.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1024 8.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 7.2749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3026 8.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7026 8.4874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4026 7.2749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7027 6.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4026 4.8499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8028 4.8499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5027 6.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8028 7.2749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7027 3.6375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4026 2.4251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8028 2.4251 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5027 3.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9028 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6027 2.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9028 3.6375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6027 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0029 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7028 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0029 2.4250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9028 6.0624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0029 7.2749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6027 7.2749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9028 8.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5027 1.2125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 16.1029 1.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8029 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 7.2620 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 3 6 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 9 1 0 0 0 0 11 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 12 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 18 1 0 0 0 0 19 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 20 1 0 0 0 0 13 26 1 0 0 0 0 26 28 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 19 30 1 0 0 0 0 24 31 1 0 0 0 0 31 32 1 0 0 0 0 5 33 1 0 0 0 0 33 1 1 0 0 0 0 33 34 1 0 0 0 0 7 6 1 0 0 0 0 M END > (119) 23c > (119) PMID_16203139 > (119) 2005 > (119) SRC > (119) 7 > (119) 1 > (119) 117 > (119) SRC-P117 $$$$ 22c.mol csChFnd70/05210813072D 37 40 0 0 0 0 0 0 0 0999 V2000 2.8030 0.0077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2032 0.0077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9031 1.2202 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2032 2.4325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8030 2.4325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3033 1.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0032 2.4325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3033 3.6450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0032 4.8575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4033 4.8575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1032 3.6450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5034 3.6450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2033 4.8575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5034 6.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1032 6.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2033 2.4327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6034 2.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3033 3.6450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6034 4.8575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4036 4.8575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7035 6.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3035 6.0699 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8035 4.8575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5036 6.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8035 7.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4036 7.2824 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2033 7.2824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2033 9.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5034 8.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1032 8.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7035 3.6450 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 17.5036 8.4949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9036 8.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1006 1.2135 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7006 1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 2.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 3 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 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 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 12 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 13 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 19 1 0 0 0 0 20 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 21 1 0 0 0 0 14 27 1 0 0 0 0 27 29 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 20 31 1 0 0 0 0 25 32 1 0 0 0 0 32 33 1 0 0 0 0 5 34 1 0 0 0 0 34 1 1 0 0 0 0 34 36 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 M END > (120) 22d > (120) PMID_16203139 > (120) 2005 > (120) SRC > (120) <4 > (120) 1 > (120) 118 > (120) SRC-P118 $$$$ 22d.mol csChFnd70/05210813072D 36 39 0 0 0 0 0 0 0 0999 V2000 2.8034 6.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2035 6.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9036 7.2746 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2035 8.4870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8034 8.4870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3035 7.2746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0035 8.4870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4035 8.4870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1035 7.2746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4035 6.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1035 4.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5034 4.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2034 6.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5034 7.2746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4035 3.6373 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1035 2.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5034 2.4250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2034 3.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6034 1.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3034 2.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6034 3.6373 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3034 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7033 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4034 1.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7033 2.4249 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6034 6.0622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7033 7.2746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3034 7.2746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6034 8.4870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2034 1.2124 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 16.8033 1.2124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5034 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1010 7.2616 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.0473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7011 7.2616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0022 8.4722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 3 6 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 9 1 0 0 0 0 11 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 12 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 18 1 0 0 0 0 19 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 20 1 0 0 0 0 13 26 1 0 0 0 0 26 28 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 19 30 1 0 0 0 0 24 31 1 0 0 0 0 31 32 1 0 0 0 0 5 33 1 0 0 0 0 33 1 1 0 0 0 0 33 35 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 7 6 1 0 0 0 0 M END > (121) 23d > (121) PMID_16203139 > (121) 2005 > (121) SRC > (121) 10 > (121) 1 > (121) 119 > (121) SRC-P119 $$$$ 23a.mol csChFnd70/05210813072D 36 39 0 0 0 0 0 0 0 0999 V2000 4.9096 9.7006 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3095 9.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0096 10.9130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4095 10.9130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1095 9.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4101 8.4885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1102 7.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5101 7.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2101 8.4885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5101 9.7009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4101 6.0636 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1102 4.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5101 4.8514 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2101 6.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6100 3.6373 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3101 4.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6100 6.0621 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3101 2.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7100 2.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4100 3.6373 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.7100 4.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6100 8.4885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7100 9.7009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3101 9.7009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6100 10.9133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2072 10.9173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8023 10.9173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0999 9.7006 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8023 8.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2072 8.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4100 6.0621 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 12.6100 1.2124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3101 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 8.4881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 9.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 10.9130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 7 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 8 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 14 1 0 0 0 0 15 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 16 1 0 0 0 0 9 22 1 0 0 0 0 22 24 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 3 2 1 0 0 0 0 1 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 1 1 0 0 0 0 28 35 1 0 0 0 0 21 31 1 0 0 0 0 18 32 1 0 0 0 0 32 33 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 M END > (122) 42 > (122) PMID_16203139 > (122) 2005 > (122) SRC > (122) 8 > (122) 1 > (122) 120 > (122) SRC-P120 $$$$ 4.mol csChFnd70/05210813072D 37 41 0 0 0 0 0 0 0 0999 V2000 0.7000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 1.2124 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 2.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 2.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1999 1.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 2.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1999 3.6371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 4.8495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2999 4.8495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9999 3.6371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3998 3.6371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0999 4.8495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3998 6.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9999 6.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0999 2.4247 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4998 2.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1998 3.6371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4998 4.8495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2997 4.8495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5997 6.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1998 6.0619 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6997 4.8495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3997 6.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6997 7.2744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2997 7.2744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0999 7.2744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5997 8.4868 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 15.3997 3.6371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7996 3.6371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3998 8.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1022 9.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3998 10.9200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9950 10.9200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2925 9.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9950 8.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 13 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 14 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 20 1 0 0 0 0 21 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 27 22 1 0 0 0 0 15 28 1 0 0 0 0 27 29 1 0 0 0 0 24 30 1 0 0 0 0 30 31 1 0 0 0 0 28 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 32 1 0 0 0 0 M END > (124) 4 > (124) PMID_16203139 > (124) 2005 > (124) SRC > (124) 10 > (124) 1 > (124) 122 > (124) SRC-P122 $$$$ 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 $$$$ 4.mol csChFnd70/05210813072D 34 37 0 0 0 0 0 0 0 0999 V2000 0.7000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 1.2124 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 2.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 2.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1999 1.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 2.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1999 3.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 4.8497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2999 4.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9999 3.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3998 3.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0999 4.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3998 6.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9999 6.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0999 2.4249 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4998 2.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1998 3.6373 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4998 4.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2997 4.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5997 6.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1998 6.0621 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6997 4.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3997 6.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6997 7.2745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2997 7.2745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0999 7.2745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5997 8.4870 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 15.3997 3.6373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7996 3.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2999 9.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9999 8.4870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3998 8.4870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 13 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 14 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 20 1 0 0 0 0 21 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 27 22 1 0 0 0 0 15 28 1 0 0 0 0 27 29 1 0 0 0 0 24 30 1 0 0 0 0 30 31 1 0 0 0 0 28 34 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 M END > (125) 5 > (125) PMID_16203139 > (125) 2005 > (125) SRC > (125) 40 > (125) 1 > (125) 123 > (125) SRC-P123 $$$$ 13.mol csChFnd70/05210813072D 37 41 0 0 0 0 0 0 0 0999 V2000 0.7000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 1.2124 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 2.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 2.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1999 1.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 2.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1999 3.6371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 4.8495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2999 4.8495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9999 3.6371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3998 3.6371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0999 4.8495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3998 6.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9999 6.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0999 2.4247 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4998 2.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1998 3.6371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4998 4.8495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2997 4.8495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5997 6.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1998 6.0619 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6997 4.8495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3997 6.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6997 7.2744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2997 7.2744 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0999 7.2744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3998 8.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1022 9.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3998 10.9200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9950 10.9200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2925 9.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9950 8.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5997 3.6371 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 15.3997 8.4868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7996 8.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 13 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 14 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 20 1 0 0 0 0 21 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 27 22 1 0 0 0 0 15 28 1 0 0 0 0 28 29 1 0 0 0 0 29 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 29 1 0 0 0 0 21 35 1 0 0 0 0 26 36 1 0 0 0 0 36 37 1 0 0 0 0 M END > (126) 13 > (126) PMID_16203139 > (126) 2005 > (126) SRC > (126) 5 > (126) 1 > (126) 124 > (126) SRC-P124 $$$$ 32.cdx csChFnd70/05210813072D 37 41 0 0 0 0 0 0 0 0999 V2000 0.7000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 1.2124 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 2.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 2.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1999 1.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 2.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1999 3.6371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 4.8495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2999 4.8495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9999 3.6371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3998 3.6371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0999 4.8495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3998 6.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9999 6.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0999 2.4247 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4998 2.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1998 3.6371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4998 4.8495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2997 4.8495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5997 6.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1998 6.0619 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6997 4.8495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3997 6.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6997 7.2744 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2997 7.2744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0999 7.2744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5997 8.4868 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.3998 8.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3997 3.6371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7996 3.6371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1022 9.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3998 10.9200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9950 10.9200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2925 9.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9950 8.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 13 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 14 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 20 1 0 0 0 0 21 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 27 22 1 0 0 0 0 15 28 1 0 0 0 0 28 30 1 0 0 0 0 27 29 1 0 0 0 0 24 31 1 0 0 0 0 31 32 1 0 0 0 0 30 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 30 1 0 0 0 0 M END > (127) 31 > (127) PMID_16203139 > (127) 2005 > (127) SRC > (127) 7 > (127) 1 > (127) 125 > (127) SRC-P125 $$$$ 32.mol csChFnd70/05210813072D 34 37 0 0 0 0 0 0 0 0999 V2000 0.7000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 1.2124 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 2.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 2.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1999 1.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 2.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1999 3.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 4.8497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2999 4.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9999 3.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4000 3.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0999 4.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4000 6.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9999 6.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0999 2.4249 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5000 2.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1998 3.6373 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5000 4.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2998 4.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6000 6.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1998 6.0621 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6999 4.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3998 6.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6999 7.2746 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2998 7.2746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0999 7.2746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6000 8.4870 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.5000 9.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0999 9.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4000 8.4870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4023 3.6330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8072 3.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 13 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 14 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 20 1 0 0 0 0 21 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 27 22 1 0 0 0 0 15 28 1 0 0 0 0 28 32 1 0 0 0 0 27 29 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 24 33 1 0 0 0 0 33 34 1 0 0 0 0 M END > (128) 32 > (128) PMID_16203139 > (128) 2005 > (128) SRC > (128) 5 > (128) 1 > (128) 126 > (128) SRC-P126 $$$$ 31.mol csChFnd70/05210813072D 37 41 0 0 0 0 0 0 0 0999 V2000 0.7000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 1.2124 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 2.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 2.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1999 1.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 2.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1999 3.6371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 4.8495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2999 4.8495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9999 3.6371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3998 3.6371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0999 4.8495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3998 6.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9999 6.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0999 2.4247 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4998 2.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1998 3.6371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4998 4.8495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2997 4.8495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5997 6.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1998 6.0619 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6997 4.8495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3997 6.0619 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6997 7.2744 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2997 7.2744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0999 7.2744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5997 8.4868 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.3998 8.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3997 3.6371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7996 3.6371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1022 9.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3998 10.9200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9950 10.9200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2925 9.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9950 8.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 13 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 14 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 20 1 0 0 0 0 21 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 27 22 1 0 0 0 0 15 28 1 0 0 0 0 28 30 1 0 0 0 0 27 29 1 0 0 0 0 24 31 1 0 0 0 0 31 32 1 0 0 0 0 30 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 30 1 0 0 0 0 M END > (129) 33 > (129) PMID_16203139 > (129) 2005 > (129) SRC > (129) 400 > (129) 1 > (129) 127 > (129) SRC-P127 $$$$ Benzofuran deriv. 11 csChFnd70/05230809552D 33 37 0 0 0 0 0 0 0 0999 V2000 9.5775 6.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3652 4.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5775 3.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7900 5.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7900 3.9623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0025 6.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2148 3.9623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3652 5.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1527 3.3152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2148 5.3623 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0025 3.2622 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0025 7.4622 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1527 6.1154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1527 7.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8004 3.6777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8104 2.6878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4581 3.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2785 2.7986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0445 2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1896 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4236 0.6612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4681 2.0605 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2150 8.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4274 7.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6398 8.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6398 9.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2681 9.7744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4804 10.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1894 11.8438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7970 11.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2277 10.7111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4274 6.0622 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 4 2 0 0 0 0 8 2 2 0 0 0 0 2 3 1 0 0 0 0 3 5 2 0 0 0 0 6 4 1 0 0 0 0 5 4 1 0 0 0 0 5 11 1 0 0 0 0 6 10 2 0 0 0 0 11 7 2 0 0 0 0 7 10 1 0 0 0 0 8 13 1 0 0 0 0 2 9 1 0 0 0 0 9 15 1 0 0 0 0 6 12 1 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 22 1 0 0 0 0 21 22 1 0 0 0 0 18 22 1 0 0 0 0 18 19 1 0 0 0 0 19 23 1 0 0 0 0 23 20 1 0 0 0 0 20 21 1 0 0 0 0 28 24 1 0 0 0 0 24 25 2 0 0 0 0 29 27 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 28 32 1 0 0 0 0 29 28 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 25 33 1 0 0 0 0 M END > (157) Benzofuran deriv. 11 > (157) Src > (157) 10 > (157) 387 > (157) 1 > (157) Src-P155 > (157) P $$$$ Benzofuran deriv. 9 csChFnd70/05230809552D 35 37 0 0 0 0 0 0 0 0999 V2000 9.5775 6.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3652 4.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5775 3.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7900 5.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7900 3.9623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0025 6.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2148 3.9623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3652 5.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1527 3.3152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2148 5.3623 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0025 3.2622 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0025 7.4622 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1527 6.1154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1527 7.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8004 3.6777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8104 2.6878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4581 3.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2785 2.7986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0445 2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1896 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4236 0.6612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4681 2.0605 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2150 8.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4274 7.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6398 8.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6398 9.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2681 9.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4804 10.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7970 11.7780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2277 10.4992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1894 11.6317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4274 6.0622 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 14.4565 5.0334 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 13.0777 2.4881 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 4 2 0 0 0 0 8 2 2 0 0 0 0 2 3 1 0 0 0 0 3 5 2 0 0 0 0 6 4 1 0 0 0 0 5 4 1 0 0 0 0 5 11 1 0 0 0 0 6 10 2 0 0 0 0 11 7 2 0 0 0 0 7 10 1 0 0 0 0 8 13 1 0 0 0 0 2 9 1 0 0 0 0 9 15 1 0 0 0 0 6 12 1 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 22 1 0 0 0 0 21 22 1 0 0 0 0 18 22 1 0 0 0 0 18 19 1 0 0 0 0 19 23 1 0 0 0 0 23 20 1 0 0 0 0 20 21 1 0 0 0 0 28 24 1 0 0 0 0 24 25 2 0 0 0 0 29 27 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 28 31 1 0 0 0 0 29 28 2 0 0 0 0 29 32 1 0 0 0 0 32 30 1 0 0 0 0 30 31 2 0 0 0 0 25 33 1 0 0 0 0 M END > (158) Benzofuran deriv. 9 > (158) Src > (158) 10 > (158) 388 > (158) 1 > (158) Src-P156 > (158) P $$$$ Methoxy Aniline 7 csChFnd70/05230809552D 31 34 0 0 0 0 0 0 0 0999 V2000 8.1820 5.8176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9696 3.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1820 3.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3944 5.0644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3944 3.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6069 5.7644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8192 3.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9696 5.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7572 3.0174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7572 5.8176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5447 5.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8192 5.0644 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6069 2.9644 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6069 7.1644 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8194 7.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0078 7.1246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2428 7.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2893 9.1831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1009 9.9230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8659 9.2638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4048 3.3799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1474 11.3222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9613 5.7254 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 11.9591 12.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4148 2.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2023 3.0900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9900 2.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2023 0.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4148 0.9900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9900 0.9900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 4 2 0 0 0 0 8 2 2 0 0 0 0 2 3 1 0 0 0 0 3 5 2 0 0 0 0 6 4 1 0 0 0 0 5 4 1 0 0 0 0 5 13 1 0 0 0 0 6 12 2 0 0 0 0 13 7 2 0 0 0 0 7 12 1 0 0 0 0 8 10 1 0 0 0 0 2 9 1 0 0 0 0 9 21 1 0 0 0 0 10 11 1 0 0 0 0 6 14 1 0 0 0 0 14 15 1 0 0 0 0 20 15 2 0 0 0 0 16 15 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 21 25 1 0 0 0 0 19 22 1 0 0 0 0 22 24 1 0 0 0 0 16 23 1 0 0 0 0 29 25 1 0 0 0 0 26 25 1 0 0 0 0 26 27 1 0 0 0 0 27 30 1 0 0 0 0 30 28 1 0 0 0 0 28 29 1 0 0 0 0 30 31 1 0 0 0 0 M END > (159) Methoxy Aniline 7 > (159) Src > (159) 10 > (159) 389 > (159) 1 > (159) Src-P157 > (159) P $$$$ Methoxy Aniline 5 csChFnd70/05230809552D 32 35 0 0 0 0 0 0 0 0999 V2000 9.6055 6.0874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3932 3.9872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6055 3.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8180 5.3343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8180 3.9343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0305 6.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2428 3.9343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3932 5.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1807 3.2872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1807 6.0874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9682 5.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2428 5.3343 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0305 3.2342 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0305 7.4342 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2430 8.1343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4314 7.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6664 8.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7129 9.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5245 10.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2895 9.5336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8284 3.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8384 2.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4861 3.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3228 2.7961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0746 2.1618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1733 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4214 0.6343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4961 2.0325 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5710 11.5920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3826 12.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3849 5.9952 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 4 2 0 0 0 0 8 2 2 0 0 0 0 2 3 1 0 0 0 0 3 5 2 0 0 0 0 6 4 1 0 0 0 0 5 4 1 0 0 0 0 5 13 1 0 0 0 0 6 12 2 0 0 0 0 13 7 2 0 0 0 0 7 12 1 0 0 0 0 8 10 1 0 0 0 0 2 9 1 0 0 0 0 9 21 1 0 0 0 0 10 11 1 0 0 0 0 6 14 1 0 0 0 0 14 15 1 0 0 0 0 20 15 2 0 0 0 0 16 15 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 28 1 0 0 0 0 27 28 1 0 0 0 0 24 28 1 0 0 0 0 24 25 1 0 0 0 0 25 29 1 0 0 0 0 29 26 1 0 0 0 0 26 27 1 0 0 0 0 19 30 1 0 0 0 0 30 31 1 0 0 0 0 16 32 1 0 0 0 0 M END > (160) Methoxy Aniline 5 > (160) Src > (160) 10 > (160) 390 > (160) 1 > (160) Src-P158 > (160) 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 $$$$ 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 $$$$ 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 $$$$ 1,6-naphthyridin 36 csChFnd70/05230809552D 34 36 0 0 0 0 0 0 0 0999 V2000 10.8036 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5912 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8036 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0161 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0161 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2284 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4408 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4408 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5912 6.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2284 4.1999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6533 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9402 9.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7035 8.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8398 6.2569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0765 6.9129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1267 8.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3789 4.1999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0266 4.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0366 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7895 4.8578 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 14.5170 9.1418 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6844 3.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6945 2.9447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3423 3.3070 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9798 4.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6275 5.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3523 2.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.6793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6533 4.1999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6533 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8657 2.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4408 2.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4408 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2286 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 4 2 0 0 0 0 9 2 2 0 0 0 0 2 3 1 0 0 0 0 3 5 2 0 0 0 0 6 4 1 0 0 0 0 5 4 1 0 0 0 0 5 10 1 0 0 0 0 6 8 2 0 0 0 0 10 7 2 0 0 0 0 7 8 1 0 0 0 0 2 17 1 0 0 0 0 7 29 1 0 0 0 0 8 11 1 0 0 0 0 13 11 1 0 0 0 0 11 14 2 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 22 1 0 0 0 0 13 21 1 0 0 0 0 14 20 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 27 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 27 28 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 M END > (198) 1,6-naphthyridine 36 > (198) Src > (198) 14 > (198) 428 > (198) 1 > (198) Src-P196 > (198) P $$$$ Benzodioxole deriv. 18 csChFnd70/05230809552D 32 36 0 0 0 0 0 0 0 0999 V2000 9.5775 6.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3652 4.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5775 3.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7899 5.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7899 3.9622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0024 6.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2147 3.9622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3652 5.4153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1527 3.3152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2147 5.3622 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0024 3.2622 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0024 7.4622 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1527 6.1153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1527 7.5153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8004 3.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8104 2.6878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4581 3.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2785 2.7986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0445 2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1896 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4236 0.6612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4681 2.0604 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2149 8.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4273 7.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6396 8.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6396 9.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0559 9.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2683 10.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5850 11.7779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9773 11.6315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0155 10.4991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 4 2 0 0 0 0 8 2 2 0 0 0 0 2 3 1 0 0 0 0 3 5 2 0 0 0 0 6 4 1 0 0 0 0 5 4 1 0 0 0 0 5 11 1 0 0 0 0 6 10 2 0 0 0 0 11 7 2 0 0 0 0 7 10 1 0 0 0 0 8 13 1 0 0 0 0 2 9 1 0 0 0 0 9 15 1 0 0 0 0 6 12 1 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 22 1 0 0 0 0 21 22 1 0 0 0 0 18 22 1 0 0 0 0 18 19 1 0 0 0 0 19 23 1 0 0 0 0 23 20 1 0 0 0 0 20 21 1 0 0 0 0 28 24 1 0 0 0 0 24 25 2 0 0 0 0 29 27 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 28 32 1 0 0 0 0 29 28 2 0 0 0 0 29 31 1 0 0 0 0 31 30 1 0 0 0 0 30 32 1 0 0 0 0 M END > (199) Benzodioxole deriv. 18 > (199) Src > (199) 14 > (199) 429 > (199) 1 > (199) Src-P197 > (199) P $$$$ 1,6-naphthyridin 37 csChFnd70/05230809552D 36 38 0 0 0 0 0 0 0 0999 V2000 10.8036 7.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5912 5.5998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8036 4.8998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0161 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0161 5.5998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2284 7.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4408 5.5998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4408 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5912 7.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2284 4.8998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6533 7.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9402 9.7551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7035 9.0989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8398 6.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0765 7.6129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1267 9.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3789 4.8998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0266 5.2623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0366 4.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7895 5.5577 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 14.5170 9.8418 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6844 4.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6945 3.6447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3423 4.0069 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9798 5.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6275 5.7215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3523 3.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.3793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6533 4.8998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6533 3.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8657 2.7999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4408 2.7999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2286 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6533 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4408 1.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4408 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 4 2 0 0 0 0 9 2 2 0 0 0 0 2 3 1 0 0 0 0 3 5 2 0 0 0 0 6 4 1 0 0 0 0 5 4 1 0 0 0 0 5 10 1 0 0 0 0 6 8 2 0 0 0 0 10 7 2 0 0 0 0 7 8 1 0 0 0 0 2 17 1 0 0 0 0 7 29 1 0 0 0 0 8 11 1 0 0 0 0 13 11 1 0 0 0 0 11 14 2 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 22 1 0 0 0 0 13 21 1 0 0 0 0 14 20 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 27 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 27 28 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 35 1 0 0 0 0 35 33 1 0 0 0 0 35 34 1 0 0 0 0 35 36 1 0 0 0 0 M END > (200) 1,6-naphthyridine 37 > (200) Src > (200) 14 > (200) 430 > (200) 1 > (200) Src-P198 > (200) 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 $$$$ Benzofuran deriv. 8 csChFnd70/05230809552D 32 36 0 0 0 0 0 0 0 0999 V2000 9.5775 6.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3652 4.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5775 3.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7900 5.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7900 3.9623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0025 6.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2148 3.9623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3652 5.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1527 3.3152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2148 5.3623 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0025 3.2622 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0025 7.4622 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1527 6.1154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1527 7.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8004 3.6777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8104 2.6878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4581 3.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2785 2.7986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0445 2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1896 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4236 0.6612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4681 2.0605 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2150 8.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4274 7.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6398 8.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6398 9.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2681 9.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4804 10.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7970 11.7780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2277 10.4992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1894 11.6317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 4 2 0 0 0 0 8 2 2 0 0 0 0 2 3 1 0 0 0 0 3 5 2 0 0 0 0 6 4 1 0 0 0 0 5 4 1 0 0 0 0 5 11 1 0 0 0 0 6 10 2 0 0 0 0 11 7 2 0 0 0 0 7 10 1 0 0 0 0 8 13 1 0 0 0 0 2 9 1 0 0 0 0 9 15 1 0 0 0 0 6 12 1 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 22 1 0 0 0 0 21 22 1 0 0 0 0 18 22 1 0 0 0 0 18 19 1 0 0 0 0 19 23 1 0 0 0 0 23 20 1 0 0 0 0 20 21 1 0 0 0 0 28 24 1 0 0 0 0 24 25 2 0 0 0 0 29 27 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 28 31 1 0 0 0 0 29 28 2 0 0 0 0 29 32 1 0 0 0 0 32 30 1 0 0 0 0 30 31 2 0 0 0 0 M END > (212) Benzofuran deriv. 8 > (212) Src > (212) 16 > (212) 442 > (212) 1 > (212) Src-P210 > (212) 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 $$$$ 1,6-naphthyridin 34 csChFnd70/05230809552D 37 40 0 0 0 0 0 0 0 0999 V2000 10.7463 7.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5338 5.5998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7463 4.8998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9587 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9587 5.5998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1710 7.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3835 5.5998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3835 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5338 7.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1710 4.8998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5959 7.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8829 9.7551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6462 9.0989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7824 6.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0191 7.6129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0694 9.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3215 4.8998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9693 5.2623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9793 4.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6270 4.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7322 5.5577 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 14.4597 9.8418 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.4247 4.3448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 3.6448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4247 1.5449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 2.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 3.6448 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 2.2448 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.5449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5959 4.8998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5959 3.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8084 2.7999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3835 2.7999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3835 1.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1710 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5959 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3835 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 4 2 0 0 0 0 9 2 2 0 0 0 0 2 3 1 0 0 0 0 3 5 2 0 0 0 0 6 4 1 0 0 0 0 5 4 1 0 0 0 0 5 10 1 0 0 0 0 6 8 2 0 0 0 0 10 7 2 0 0 0 0 7 8 1 0 0 0 0 2 17 1 0 0 0 0 7 30 1 0 0 0 0 8 11 1 0 0 0 0 13 11 1 0 0 0 0 11 14 2 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 27 1 0 0 0 0 13 22 1 0 0 0 0 14 21 1 0 0 0 0 26 27 1 0 0 0 0 23 27 1 0 0 0 0 23 24 1 0 0 0 0 24 28 1 0 0 0 0 28 25 1 0 0 0 0 25 26 1 0 0 0 0 28 29 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 37 1 0 0 0 0 M END > (225) 1,6-naphthyridine 34 > (225) Src > (225) 19 > (225) 455 > (225) 1 > (225) Src-P223 > (225) P $$$$ 1,6-naphthyridin 33 csChFnd70/05230809552D 35 38 0 0 0 0 0 0 0 0999 V2000 10.7463 7.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5338 5.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7463 4.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9587 6.5900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9587 5.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1710 7.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3835 5.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3835 6.5900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5338 6.5900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1710 4.4899 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5959 7.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8829 9.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6462 8.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7824 6.5469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0191 7.2029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0694 8.6021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3215 4.4899 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9693 4.8523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9793 3.8624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6270 4.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7322 5.1478 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 14.4597 9.4319 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.4247 3.9348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 3.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4247 1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 1.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 3.2349 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 1.8349 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5959 4.4899 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5959 3.0899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8084 2.3900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3835 2.3900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3835 0.9900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3937 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 4 2 0 0 0 0 9 2 2 0 0 0 0 2 3 1 0 0 0 0 3 5 2 0 0 0 0 6 4 1 0 0 0 0 5 4 1 0 0 0 0 5 10 1 0 0 0 0 6 8 2 0 0 0 0 10 7 2 0 0 0 0 7 8 1 0 0 0 0 2 17 1 0 0 0 0 7 30 1 0 0 0 0 8 11 1 0 0 0 0 13 11 1 0 0 0 0 11 14 2 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 27 1 0 0 0 0 13 22 1 0 0 0 0 14 21 1 0 0 0 0 26 27 1 0 0 0 0 23 27 1 0 0 0 0 23 24 1 0 0 0 0 24 28 1 0 0 0 0 28 25 1 0 0 0 0 25 26 1 0 0 0 0 28 29 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 M END > (227) 1,6-naphthyridine 33 > (227) Src > (227) 19 > (227) 457 > (227) 1 > (227) Src-P225 > (227) P $$$$ AZD0530 analogue 32 csChFnd70/05230809552D 37 41 0 0 0 0 0 0 0 0999 V2000 14.5490 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9739 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3367 4.2000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3367 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5490 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5490 2.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3367 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 0.8061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 2.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 2.9061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6994 2.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6994 0.8061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 0.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9739 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 4.3061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6992 5.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6992 6.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4869 4.3061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4869 0.1061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2744 0.8061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 0.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6371 2.9061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 0.8061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6371 0.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8496 2.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8496 0.8061 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 2.2061 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 2.9061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 4.3061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.2061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5490 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7615 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0781 8.5157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7615 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7615 2.8000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 15.4704 8.3693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5086 7.2369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32 2 1 0 0 0 0 31 1 1 0 0 0 0 1 34 2 0 0 0 0 14 2 2 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 4 9 1 0 0 0 0 4 6 2 0 0 0 0 8 7 1 0 0 0 0 7 5 2 0 0 0 0 5 6 1 0 0 0 0 13 8 2 0 0 0 0 9 8 1 0 0 0 0 10 9 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 34 14 1 0 0 0 0 10 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 12 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 26 1 0 0 0 0 24 26 1 0 0 0 0 26 25 1 0 0 0 0 22 27 1 0 0 0 0 22 25 1 0 0 0 0 27 23 1 0 0 0 0 23 24 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 2 0 0 0 0 31 37 1 0 0 0 0 32 31 2 0 0 0 0 32 36 1 0 0 0 0 36 33 1 0 0 0 0 33 37 1 0 0 0 0 34 35 1 0 0 0 0 M END > (230) AZD0530 analogue 32 > (230) Src > (230) 20 > (230) 460 > (230) 1 > (230) Src-P228 > (230) P $$$$ AZD0530 analogue 8 csChFnd70/05230809552D 37 41 0 0 0 0 0 0 0 0999 V2000 14.5490 8.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3365 8.2938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3365 6.8938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7614 8.2938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 6.1939 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 4.7939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3365 2.6939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3365 4.0939 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 1.9939 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6993 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4870 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4870 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6993 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6993 6.2999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4870 6.9999 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 6.0622 6.9999 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 8.4870 8.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7614 6.8938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5490 6.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2745 2.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0620 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 2.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 8.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9739 4.7939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9739 6.1939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1240 8.9938 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 4 1 0 0 0 0 2 3 1 0 0 0 0 3 23 2 0 0 0 0 22 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 11 1 0 0 0 0 6 8 2 0 0 0 0 10 9 1 0 0 0 0 9 7 2 0 0 0 0 7 8 1 0 0 0 0 15 10 2 0 0 0 0 11 10 1 0 0 0 0 12 11 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 12 16 1 0 0 0 0 16 17 1 0 0 0 0 20 17 1 0 0 0 0 17 21 1 0 0 0 0 18 34 1 0 0 0 0 18 21 1 0 0 0 0 34 19 1 0 0 0 0 19 20 1 0 0 0 0 14 24 1 0 0 0 0 23 22 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 32 1 0 0 0 0 31 32 1 0 0 0 0 28 32 1 0 0 0 0 28 29 1 0 0 0 0 29 33 1 0 0 0 0 33 30 1 0 0 0 0 30 31 1 0 0 0 0 2 37 1 0 0 0 0 22 36 1 0 0 0 0 36 35 1 0 0 0 0 M END > (231) AZD0530 analogue 8 > (231) Src > (231) 20 > (231) 461 > (231) 1 > (231) Src-P229 > (231) 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 $$$$ Indole deriv. 17 csChFnd70/05230809552D 33 37 0 0 0 0 0 0 0 0999 V2000 9.5775 6.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3652 4.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5775 3.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7900 5.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7900 3.9623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0025 6.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2148 3.9623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3652 5.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1527 3.3152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2148 5.3623 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0025 3.2622 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0025 7.4622 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1527 6.1154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1527 7.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8004 3.6777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8104 2.6878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4581 3.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2785 2.7986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0445 2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1896 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4236 0.6612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4681 2.0605 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2150 8.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4274 7.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6398 8.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6398 9.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0560 9.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2684 10.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9773 11.6315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5851 11.7780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0156 10.4992 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9140 12.6719 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 4 2 0 0 0 0 8 2 2 0 0 0 0 2 3 1 0 0 0 0 3 5 2 0 0 0 0 6 4 1 0 0 0 0 5 4 1 0 0 0 0 5 11 1 0 0 0 0 6 10 2 0 0 0 0 11 7 2 0 0 0 0 7 10 1 0 0 0 0 8 13 1 0 0 0 0 2 9 1 0 0 0 0 9 15 1 0 0 0 0 6 12 1 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 22 1 0 0 0 0 21 22 1 0 0 0 0 18 22 1 0 0 0 0 18 19 1 0 0 0 0 19 23 1 0 0 0 0 23 20 1 0 0 0 0 20 21 1 0 0 0 0 28 24 1 0 0 0 0 24 25 2 0 0 0 0 29 27 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 28 32 1 0 0 0 0 29 28 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 30 33 1 0 0 0 0 M END > (233) Indole deriv. 17 > (233) Src > (233) 20 > (233) 463 > (233) 1 > (233) Src-P231 > (233) 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 $$$$ Benzodioxole deriv. 21 csChFnd70/05230809552D 33 37 0 0 0 0 0 0 0 0999 V2000 9.5775 6.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3652 4.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5775 3.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7900 5.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7900 3.9623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0025 6.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2148 3.9623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3652 5.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1527 3.3152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2148 5.3623 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0025 3.2622 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0025 7.4622 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1527 6.1154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1527 7.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8004 3.6777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8104 2.6878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4581 3.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2785 2.7986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0445 2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1896 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4236 0.6612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4681 2.0605 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2150 8.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4274 7.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6398 8.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6398 9.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1094 10.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8970 9.8275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4261 12.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8566 10.7642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8184 11.8968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4274 6.0622 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 4 2 0 0 0 0 8 2 2 0 0 0 0 2 3 1 0 0 0 0 3 5 2 0 0 0 0 6 4 1 0 0 0 0 5 4 1 0 0 0 0 5 11 1 0 0 0 0 6 10 2 0 0 0 0 11 7 2 0 0 0 0 7 10 1 0 0 0 0 8 13 1 0 0 0 0 2 9 1 0 0 0 0 9 15 1 0 0 0 0 6 12 1 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 22 1 0 0 0 0 21 22 1 0 0 0 0 18 22 1 0 0 0 0 18 19 1 0 0 0 0 19 23 1 0 0 0 0 23 20 1 0 0 0 0 20 21 1 0 0 0 0 29 24 1 0 0 0 0 24 25 2 0 0 0 0 28 27 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 25 33 1 0 0 0 0 28 32 1 0 0 0 0 28 29 2 0 0 0 0 29 31 1 0 0 0 0 32 30 1 0 0 0 0 30 31 1 0 0 0 0 M END > (255) Benzodioxole deriv. 21 > (255) Src > (255) 28 > (255) 485 > (255) 1 > (255) Src-P253 > (255) P $$$$ Benzofuran deriv. 10 csChFnd70/05230809552D 32 36 0 0 0 0 0 0 0 0999 V2000 9.5775 6.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3652 4.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5775 3.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7900 5.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7900 3.9622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0024 6.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2147 3.9622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3652 5.4153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1527 3.3152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2147 5.3622 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0024 3.2622 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0024 7.4622 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1527 6.1153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1527 7.5153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8004 3.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8104 2.6878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4581 3.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2785 2.7986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0445 2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1896 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4236 0.6612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4681 2.0604 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2149 8.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4274 7.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6397 8.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6397 9.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2680 9.7743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4803 10.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1893 11.8438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7969 11.9900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2276 10.7110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 4 2 0 0 0 0 8 2 2 0 0 0 0 2 3 1 0 0 0 0 3 5 2 0 0 0 0 6 4 1 0 0 0 0 5 4 1 0 0 0 0 5 11 1 0 0 0 0 6 10 2 0 0 0 0 11 7 2 0 0 0 0 7 10 1 0 0 0 0 8 13 1 0 0 0 0 2 9 1 0 0 0 0 9 15 1 0 0 0 0 6 12 1 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 22 1 0 0 0 0 21 22 1 0 0 0 0 18 22 1 0 0 0 0 18 19 1 0 0 0 0 19 23 1 0 0 0 0 23 20 1 0 0 0 0 20 21 1 0 0 0 0 28 24 1 0 0 0 0 24 25 2 0 0 0 0 29 27 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 28 32 1 0 0 0 0 29 28 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 M END > (262) Benzofuran deriv. 10 > (262) Src > (262) 30 > (262) 492 > (262) 1 > (262) Src-P260 > (262) 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 $$$$ Methoxy Aniline 2 csChFnd70/05230809552D 31 34 0 0 0 0 0 0 0 0999 V2000 9.6053 6.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3930 3.9871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6053 3.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8177 5.3341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8177 3.9342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0302 6.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2425 3.9342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3930 5.3872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1806 3.2871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1806 6.0872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9681 5.3872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2425 5.3341 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0302 3.2342 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0302 7.4341 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2426 8.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4310 7.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6660 8.0535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7125 9.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5241 10.1926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2892 9.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5707 11.5919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3821 12.3317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8283 3.6496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8383 2.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 3.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3227 2.7960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0746 2.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1732 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4213 0.6343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4960 2.0324 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 4 2 0 0 0 0 8 2 2 0 0 0 0 2 3 1 0 0 0 0 3 5 2 0 0 0 0 6 4 1 0 0 0 0 5 4 1 0 0 0 0 5 13 1 0 0 0 0 6 12 2 0 0 0 0 13 7 2 0 0 0 0 7 12 1 0 0 0 0 8 10 1 0 0 0 0 2 9 1 0 0 0 0 9 23 1 0 0 0 0 10 11 1 0 0 0 0 6 14 1 0 0 0 0 14 15 1 0 0 0 0 20 15 2 0 0 0 0 16 15 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 30 1 0 0 0 0 29 30 1 0 0 0 0 26 30 1 0 0 0 0 26 27 1 0 0 0 0 27 31 1 0 0 0 0 31 28 1 0 0 0 0 28 29 1 0 0 0 0 M END > (278) Methoxy Aniline 2 > (278) Src > (278) 37 > (278) 508 > (278) 1 > (278) Src-P276 > (278) P $$$$ AZD0530 analogue 11 csChFnd70/05230809552D 36 41 0 0 0 0 0 0 0 0999 V2000 13.1529 6.3782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5778 7.7782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9405 5.6782 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9405 4.2782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1529 2.1782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1529 3.5782 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9405 1.4782 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7281 2.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7281 3.6843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5156 4.3843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3033 3.6843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3033 2.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5156 1.5843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5156 5.7843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0908 1.5843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8783 2.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 1.5843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4535 2.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3033 6.4843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0908 8.5843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8785 6.4843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0908 5.7843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3033 7.8843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8785 7.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5778 6.3782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3653 5.6782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0005 2.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6219 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0070 0.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2410 1.5843 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3653 8.4782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1529 7.7782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6820 9.9939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1126 8.7151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0743 9.8475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32 2 1 0 0 0 0 33 1 1 0 0 0 0 1 26 2 0 0 0 0 25 2 2 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 4 9 1 0 0 0 0 4 6 2 0 0 0 0 8 7 1 0 0 0 0 7 5 2 0 0 0 0 5 6 1 0 0 0 0 13 8 2 0 0 0 0 9 8 1 0 0 0 0 10 9 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 10 14 1 0 0 0 0 14 19 1 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 31 1 0 0 0 0 22 19 1 0 0 0 0 19 23 1 0 0 0 0 20 24 1 0 0 0 0 20 23 1 0 0 0 0 24 21 1 0 0 0 0 21 22 1 0 0 0 0 26 25 1 0 0 0 0 30 31 1 0 0 0 0 27 31 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 32 36 1 0 0 0 0 32 33 2 0 0 0 0 33 35 1 0 0 0 0 36 34 1 0 0 0 0 34 35 1 0 0 0 0 M END > (283) AZD0530 analogue 11 > (283) Src > (283) 40 > (283) 513 > (283) 1 > (283) Src-P281 > (283) P $$$$ AZD0530 analogue 10 csChFnd70/05230809552D 34 37 0 0 0 0 0 0 0 0999 V2000 14.5491 8.9939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3367 8.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3367 6.8939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7616 8.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1243 6.1939 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1243 4.7939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3367 2.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3367 4.0939 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1243 1.9939 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9119 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9119 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6994 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4871 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4871 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6994 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6994 6.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7616 6.8939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5491 6.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 2.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 2.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4871 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2992 8.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2257 6.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9741 4.7939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9741 6.1939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 8.9939 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 4 1 0 0 0 0 2 3 1 0 0 0 0 3 18 2 0 0 0 0 17 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 11 1 0 0 0 0 6 8 2 0 0 0 0 10 9 1 0 0 0 0 9 7 2 0 0 0 0 7 8 1 0 0 0 0 15 10 2 0 0 0 0 11 10 1 0 0 0 0 12 11 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 12 16 1 0 0 0 0 16 29 1 0 0 0 0 14 19 1 0 0 0 0 18 17 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 27 1 0 0 0 0 26 27 1 0 0 0 0 23 27 1 0 0 0 0 23 24 1 0 0 0 0 24 28 1 0 0 0 0 28 25 1 0 0 0 0 25 26 1 0 0 0 0 31 29 1 0 0 0 0 30 29 1 0 0 0 0 2 34 1 0 0 0 0 17 33 1 0 0 0 0 33 32 1 0 0 0 0 M END > (284) AZD0530 analogue 10 > (284) Src > (284) 40 > (284) 514 > (284) 1 > (284) Src-P282 > (284) P $$$$ Indole deriv. 15 csChFnd70/05230809552D 33 37 0 0 0 0 0 0 0 0999 V2000 9.5775 6.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3652 4.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5775 3.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7900 5.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7900 3.9623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0025 6.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2148 3.9623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3652 5.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1527 3.3152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2148 5.3623 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0025 3.2622 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0025 7.4622 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1527 6.1154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1527 7.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8004 3.6777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8104 2.6878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4581 3.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2785 2.7986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0445 2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1896 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4236 0.6612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4681 2.0605 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2150 8.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4274 7.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6398 8.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6398 9.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2150 9.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4274 10.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7441 11.7780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1746 10.4992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1364 11.6317 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 15.0732 12.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 4 2 0 0 0 0 8 2 2 0 0 0 0 2 3 1 0 0 0 0 3 5 2 0 0 0 0 6 4 1 0 0 0 0 5 4 1 0 0 0 0 5 11 1 0 0 0 0 6 10 2 0 0 0 0 11 7 2 0 0 0 0 7 10 1 0 0 0 0 8 13 1 0 0 0 0 2 9 1 0 0 0 0 9 15 1 0 0 0 0 6 12 1 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 22 1 0 0 0 0 21 22 1 0 0 0 0 18 22 1 0 0 0 0 18 19 1 0 0 0 0 19 23 1 0 0 0 0 23 20 1 0 0 0 0 20 21 1 0 0 0 0 28 24 1 0 0 0 0 24 25 2 0 0 0 0 29 27 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 28 31 1 0 0 0 0 29 28 2 0 0 0 0 29 32 1 0 0 0 0 32 30 1 0 0 0 0 30 31 2 0 0 0 0 32 33 1 0 0 0 0 M END > (285) Indole deriv. 15 > (285) Src > (285) 40 > (285) 515 > (285) 1 > (285) Src-P283 > (285) 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 $$$$ 1,6-naphthyridin 35 csChFnd70/05230809552D 29 31 0 0 0 0 0 0 0 0999 V2000 10.8036 4.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5912 2.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8036 1.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0161 3.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0161 2.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2284 4.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4408 2.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4408 3.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5912 3.9830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2284 1.8829 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6532 4.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9402 6.7381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7035 6.0819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8397 3.9399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0764 4.5959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1267 5.9950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3789 1.8829 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0266 2.2453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0366 1.2554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7895 2.5408 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 14.5170 6.8248 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 15.6532 1.8829 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6844 1.6176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6945 0.6277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3423 0.9900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9798 2.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6275 2.7045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3523 0.0000 0.0000 C 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 1 9 1 0 0 0 0 1 4 2 0 0 0 0 9 2 2 0 0 0 0 2 3 1 0 0 0 0 3 5 2 0 0 0 0 6 4 1 0 0 0 0 5 4 1 0 0 0 0 5 10 1 0 0 0 0 6 8 2 0 0 0 0 10 7 2 0 0 0 0 7 8 1 0 0 0 0 2 17 1 0 0 0 0 7 22 1 0 0 0 0 8 11 1 0 0 0 0 13 11 1 0 0 0 0 11 14 2 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 23 1 0 0 0 0 13 21 1 0 0 0 0 14 20 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 28 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 28 29 1 0 0 0 0 M END > (291) 1,6-naphthyridine 35 > (291) Src > (291) 42 > (291) 521 > (291) 1 > (291) Src-P289 > (291) P $$$$ Indolin-2-one deriv. 9d csChFnd70/05230809552D 28 31 0 0 0 0 0 0 0 0999 V2000 3.6371 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6371 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8496 0.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8496 2.0470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1810 2.4796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0039 1.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1810 0.2143 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4039 1.3469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6138 3.8110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9832 4.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4157 5.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1158 3.2790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5929 6.5661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1622 7.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3394 8.9776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9470 8.8313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9089 10.2566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2483 4.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8157 5.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7525 6.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6178 3.8110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5545 4.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1218 6.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 4.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 9 1 0 0 0 0 5 6 1 0 0 0 0 7 6 1 0 0 0 0 7 8 1 0 0 0 0 9 8 1 0 0 0 0 8 10 2 0 0 0 0 7 11 2 0 0 0 0 11 12 1 0 0 0 0 13 12 2 0 0 0 0 14 12 1 0 0 0 0 14 20 1 0 0 0 0 21 13 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 19 1 0 0 0 0 17 18 2 0 0 0 0 20 23 1 0 0 0 0 20 21 2 0 0 0 0 22 21 1 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 2 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 M END > (319) Indolin-2-one deriv. 9d > (319) Src > (319) 60 > (319) 549 > (319) 1 > (319) Src-P317 > (319) P $$$$ Indolin-2-one deriv. 9i csChFnd70/05230809552D 33 37 0 0 0 0 0 0 0 0999 V2000 7.3147 4.8633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1023 4.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1023 2.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3147 2.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5271 2.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5271 4.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8586 4.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6814 3.4103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8586 2.2777 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0814 3.4103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2913 5.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6607 6.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0933 7.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7933 5.3424 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2705 8.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8398 9.9085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0169 11.0410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6246 10.8947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5864 12.3200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9259 6.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4933 7.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4301 8.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2953 5.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2321 6.9148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7993 8.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8899 2.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6986 2.7988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4661 2.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6161 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8486 0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 0.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 0.0355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 9 1 0 0 0 0 5 6 1 0 0 0 0 7 6 1 0 0 0 0 7 8 1 0 0 0 0 9 8 1 0 0 0 0 8 10 2 0 0 0 0 7 11 2 0 0 0 0 11 12 1 0 0 0 0 13 12 2 0 0 0 0 14 12 1 0 0 0 0 14 20 1 0 0 0 0 21 13 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 19 1 0 0 0 0 17 18 2 0 0 0 0 20 23 1 0 0 0 0 20 21 2 0 0 0 0 22 21 1 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 3 26 1 0 0 0 0 30 26 1 0 0 0 0 27 26 2 0 0 0 0 27 28 1 0 0 0 0 28 31 2 0 0 0 0 31 29 1 0 0 0 0 29 30 2 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 M END > (320) Indolin-2-one deriv. 9i > (320) Src > (320) 60 > (320) 550 > (320) 1 > (320) Src-P318 > (320) 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 $$$$ 1,6-naphthyridin 32 csChFnd70/05230809552D 30 33 0 0 0 0 0 0 0 0999 V2000 10.7463 6.1551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5338 4.0550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7463 3.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9587 5.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9587 4.0550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1710 6.1551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3835 4.0550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3835 5.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5338 5.4551 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1710 3.3550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5959 6.1551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8829 8.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6462 7.5540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7824 5.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0191 6.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0694 7.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3215 3.3550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9693 3.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9793 2.7275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6270 3.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5959 3.3550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.7322 4.0129 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 14.4597 8.2969 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.4247 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4247 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 2.0999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 0.7000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 4 2 0 0 0 0 9 2 2 0 0 0 0 2 3 1 0 0 0 0 3 5 2 0 0 0 0 6 4 1 0 0 0 0 5 4 1 0 0 0 0 5 10 1 0 0 0 0 6 8 2 0 0 0 0 10 7 2 0 0 0 0 7 8 1 0 0 0 0 2 17 1 0 0 0 0 7 21 1 0 0 0 0 8 11 1 0 0 0 0 13 11 1 0 0 0 0 11 14 2 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 28 1 0 0 0 0 13 23 1 0 0 0 0 14 22 1 0 0 0 0 27 28 1 0 0 0 0 24 28 1 0 0 0 0 24 25 1 0 0 0 0 25 29 1 0 0 0 0 29 26 1 0 0 0 0 26 27 1 0 0 0 0 29 30 1 0 0 0 0 M END > (333) 1,6-naphthyridine 32 > (333) Src > (333) 69 > (333) 563 > (333) 1 > (333) Src-P331 > (333) P $$$$ AZD0530 analogue 20 csChFnd70/05230809552D 35 40 0 0 0 0 0 0 0 0999 V2000 11.9576 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3825 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7453 4.1999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7453 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9576 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9576 2.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7453 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5328 0.8061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5328 2.2060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3203 2.9060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1080 2.2060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1080 0.8061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3203 0.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8955 0.1061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6831 0.8061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4706 0.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5362 2.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.9846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0643 0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9318 2.1674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2581 0.8061 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3825 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1700 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1078 6.4060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1078 5.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5328 5.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5328 6.4060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3203 4.3060 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3203 7.1060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9576 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1700 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4867 8.5156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1700 2.8000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.9172 7.2368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8790 8.3692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31 2 1 0 0 0 0 30 1 1 0 0 0 0 1 23 2 0 0 0 0 22 2 2 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 4 9 1 0 0 0 0 4 6 2 0 0 0 0 8 7 1 0 0 0 0 7 5 2 0 0 0 0 5 6 1 0 0 0 0 13 8 2 0 0 0 0 9 8 1 0 0 0 0 10 9 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 10 28 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 21 1 0 0 0 0 19 21 1 0 0 0 0 21 20 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 23 22 1 0 0 0 0 25 28 1 0 0 0 0 28 26 1 0 0 0 0 29 24 1 0 0 0 0 29 27 1 0 0 0 0 24 25 1 0 0 0 0 26 27 1 0 0 0 0 30 34 1 0 0 0 0 31 30 2 0 0 0 0 31 35 1 0 0 0 0 35 32 1 0 0 0 0 32 34 1 0 0 0 0 23 33 1 0 0 0 0 M END > (338) AZD0530 analogue 20 > (338) Src > (338) 75 > (338) 568 > (338) 1 > (338) Src-P336 > (338) P $$$$ AZD0530 analogue 14 csChFnd70/05230809552D 35 40 0 0 0 0 0 0 0 0999 V2000 11.9461 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3711 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7338 4.2000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7338 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9461 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9461 2.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7338 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5213 0.8061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5213 2.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3089 2.9061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0966 2.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0966 0.8061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3089 0.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3089 4.3061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8841 0.1061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6716 0.8061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4593 0.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0966 5.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8841 7.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6718 5.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8841 4.3061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0966 6.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6718 6.4061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3711 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1586 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5985 2.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0187 0.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9872 2.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2468 0.8061 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1586 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9461 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4752 8.5157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8676 8.3693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9059 7.2369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31 2 1 0 0 0 0 32 1 1 0 0 0 0 1 25 2 0 0 0 0 24 2 2 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 4 9 1 0 0 0 0 4 6 2 0 0 0 0 8 7 1 0 0 0 0 7 5 2 0 0 0 0 5 6 1 0 0 0 0 13 8 2 0 0 0 0 9 8 1 0 0 0 0 10 9 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 10 14 1 0 0 0 0 14 18 1 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 30 1 0 0 0 0 21 18 1 0 0 0 0 18 22 1 0 0 0 0 19 23 1 0 0 0 0 19 22 1 0 0 0 0 23 20 1 0 0 0 0 20 21 1 0 0 0 0 25 24 1 0 0 0 0 28 30 1 0 0 0 0 30 29 1 0 0 0 0 26 27 1 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 31 34 1 0 0 0 0 31 32 2 0 0 0 0 32 35 1 0 0 0 0 34 33 1 0 0 0 0 33 35 1 0 0 0 0 M END > (343) AZD0530 analogue 14 > (343) Src > (343) 80 > (343) 573 > (343) 1 > (343) Src-P341 > (343) P $$$$ tetrahydroindole deriv. 4c csChFnd70/05230809552D 24 27 0 0 0 0 0 0 0 0999 V2000 3.6374 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6374 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1812 2.5327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0041 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1812 0.2674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4041 1.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6139 3.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8263 4.5641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1985 5.9136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0893 4.6660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5972 5.9765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4862 7.0582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4703 4.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3593 5.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8674 6.8289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9948 3.7929 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5125 1.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9125 4.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 2.8000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 6 2 0 0 0 0 7 5 1 0 0 0 0 6 5 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 9 8 1 0 0 0 0 8 10 2 0 0 0 0 7 11 2 0 0 0 0 11 12 1 0 0 0 0 13 12 2 0 0 0 0 20 12 1 0 0 0 0 20 14 1 0 0 0 0 15 13 1 0 0 0 0 14 17 1 0 0 0 0 14 15 2 0 0 0 0 16 15 1 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 2 23 1 0 0 0 0 23 21 2 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 M END > (344) Indolin-2-one deriv. 4c > (344) Src > (344) 80 > (344) 574 > (344) 1 > (344) Src-P342 > (344) P $$$$ AZD0530 analogue 17 csChFnd70/05230809552D 38 41 0 0 0 0 0 0 0 0999 V2000 11.9576 5.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3825 6.7454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7453 4.6454 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7453 3.2454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9576 1.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9576 2.5454 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7453 0.4454 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5328 1.2515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5328 2.6515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3203 3.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1080 2.6515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1080 1.2515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3203 0.5515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3203 4.7515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8955 0.5515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1080 5.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8955 7.5514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6833 5.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8955 4.7515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1080 6.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6833 6.8514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6831 1.2515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3825 5.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1700 4.6454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4706 0.5515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5362 2.7233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0643 0.5205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9318 2.6128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2581 1.2515 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9576 6.7454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1700 7.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9577 9.5453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7453 8.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7451 7.4454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1700 8.8453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9201 1.2196 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 14.8670 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 32 2 1 0 0 0 0 31 1 1 0 0 0 0 1 24 2 0 0 0 0 23 2 2 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 4 9 1 0 0 0 0 4 6 2 0 0 0 0 8 7 1 0 0 0 0 7 5 2 0 0 0 0 5 6 1 0 0 0 0 13 8 2 0 0 0 0 9 8 1 0 0 0 0 10 9 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 10 14 1 0 0 0 0 14 16 1 0 0 0 0 12 15 1 0 0 0 0 15 22 1 0 0 0 0 19 16 1 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 17 20 1 0 0 0 0 21 18 1 0 0 0 0 18 19 1 0 0 0 0 22 25 1 0 0 0 0 24 23 1 0 0 0 0 25 30 1 0 0 0 0 28 30 1 0 0 0 0 30 29 1 0 0 0 0 26 27 1 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 31 35 1 0 0 0 0 32 31 2 0 0 0 0 32 36 1 0 0 0 0 36 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 M END > (349) AZD0530 analogue 17 > (349) Src > (349) 85 > (349) 579 > (349) 1 > (349) Src-P347 > (349) 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 $$$$ Indolin-2-one deriv. 9g csChFnd70/05230809552D 33 37 0 0 0 0 0 0 0 0999 V2000 7.2724 4.8633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0601 4.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0601 2.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2724 2.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4849 2.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4849 4.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8163 4.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6392 3.4103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8163 2.2777 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0392 3.4103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2490 5.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6185 6.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0510 7.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7511 5.3424 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2282 8.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7975 9.9085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9746 11.0410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5823 10.8947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5441 12.3200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8836 6.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4510 7.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3878 8.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2531 5.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1898 6.9148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7571 8.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8476 2.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6563 2.7988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4238 2.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3826 0.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5738 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8063 0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2325 2.8703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 9 1 0 0 0 0 5 6 1 0 0 0 0 7 6 1 0 0 0 0 7 8 1 0 0 0 0 9 8 1 0 0 0 0 8 10 2 0 0 0 0 7 11 2 0 0 0 0 11 12 1 0 0 0 0 13 12 2 0 0 0 0 14 12 1 0 0 0 0 14 20 1 0 0 0 0 21 13 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 19 1 0 0 0 0 17 18 2 0 0 0 0 20 23 1 0 0 0 0 20 21 2 0 0 0 0 22 21 1 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 3 26 1 0 0 0 0 31 26 1 0 0 0 0 27 26 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 28 32 1 0 0 0 0 32 33 1 0 0 0 0 M END > (362) Indolin-2-one deriv. 9g > (362) Src > (362) 100 > (362) 592 > (362) 1 > (362) Src-P360 > (362) P $$$$ 1,6-naphthyridin 31 csChFnd70/05230809552D 34 36 0 0 0 0 0 0 0 0999 V2000 10.8036 7.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5911 5.5999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8036 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0160 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0160 5.5999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2283 7.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4408 5.5999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4408 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5911 7.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2283 4.8999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6532 7.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9402 9.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7035 9.0989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8397 6.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0764 7.6129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1267 9.0121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3788 4.8999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0265 5.2623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0365 4.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6842 4.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6944 3.6449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3421 4.0071 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9798 5.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6275 5.7217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3521 3.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.3796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6532 4.8999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6532 3.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8657 2.7999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4408 2.7999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4408 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2285 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6532 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4408 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 4 2 0 0 0 0 9 2 2 0 0 0 0 2 3 1 0 0 0 0 3 5 2 0 0 0 0 6 4 1 0 0 0 0 5 4 1 0 0 0 0 5 10 1 0 0 0 0 6 8 2 0 0 0 0 10 7 2 0 0 0 0 7 8 1 0 0 0 0 2 17 1 0 0 0 0 7 27 1 0 0 0 0 8 11 1 0 0 0 0 13 11 1 0 0 0 0 11 14 2 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 25 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 25 26 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 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 31 33 1 0 0 0 0 31 34 1 0 0 0 0 M END > (367) 1,6-naphthyridine 31 > (367) Src > (367) 110 > (367) 597 > (367) 1 > (367) Src-P365 > (367) P $$$$ Indolin-2-one deriv. 9f csChFnd70/05230809552D 31 35 0 0 0 0 0 0 0 0999 V2000 4.8496 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8496 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 2.7469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 4.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3935 4.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2164 3.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3935 2.3143 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6164 3.4469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8263 5.9111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1957 6.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6283 7.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3283 5.3790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8054 8.6661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3747 9.9451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5519 11.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1595 10.9314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1214 12.3567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4608 6.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0282 7.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9650 8.5739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8303 5.9111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7670 6.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3343 8.2829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 9 1 0 0 0 0 5 6 1 0 0 0 0 7 6 1 0 0 0 0 7 8 1 0 0 0 0 9 8 1 0 0 0 0 8 10 2 0 0 0 0 7 11 2 0 0 0 0 11 12 1 0 0 0 0 13 12 2 0 0 0 0 14 12 1 0 0 0 0 14 20 1 0 0 0 0 21 13 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 19 1 0 0 0 0 17 18 2 0 0 0 0 20 23 1 0 0 0 0 20 21 2 0 0 0 0 22 21 1 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 3 26 1 0 0 0 0 31 26 1 0 0 0 0 27 26 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 M END > (370) Indolin-2-one deriv. 9f > (370) Src > (370) 110 > (370) 600 > (370) 1 > (370) Src-P368 > (370) P $$$$ tetrahydroindole deriv. 4d csChFnd70/05230809552D 23 26 0 0 0 0 0 0 0 0999 V2000 3.6373 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8496 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8496 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1810 2.5327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0039 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1810 0.2674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4039 1.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6138 3.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8261 4.5641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1984 5.9136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0891 4.6660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5970 5.9765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4861 7.0582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4701 4.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3592 5.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8672 6.8289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 3.7929 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 4.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 6 2 0 0 0 0 7 5 1 0 0 0 0 6 5 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 9 8 1 0 0 0 0 8 10 2 0 0 0 0 7 11 2 0 0 0 0 11 12 1 0 0 0 0 13 12 2 0 0 0 0 20 12 1 0 0 0 0 20 14 1 0 0 0 0 15 13 1 0 0 0 0 14 17 1 0 0 0 0 14 15 2 0 0 0 0 16 15 1 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 2 21 1 0 0 0 0 21 23 1 0 0 0 0 21 22 2 0 0 0 0 M END > (376) Indolin-2-one deriv. 4d > (376) Src > (376) 120 > (376) 606 > (376) 1 > (376) Src-P374 > (376) P $$$$ AZD0530 analogue 12 csChFnd70/05230809552D 32 34 0 0 0 0 0 0 0 0999 V2000 8.6267 6.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0516 7.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4144 5.4939 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4144 4.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6267 1.9940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6267 3.3939 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4144 1.2939 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2019 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2019 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9894 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7771 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7771 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9894 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9894 5.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7771 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5646 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3523 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5646 5.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7771 7.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3523 7.7000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 8.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5646 1.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5646 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0516 6.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8392 5.4939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6267 7.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8392 8.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1558 9.8096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5863 8.5308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5482 9.6632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8998 1.7501 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.8468 0.6364 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 27 2 1 0 0 0 0 26 1 1 0 0 0 0 1 25 2 0 0 0 0 24 2 2 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 4 9 1 0 0 0 0 4 6 2 0 0 0 0 8 7 1 0 0 0 0 7 5 2 0 0 0 0 5 6 1 0 0 0 0 13 8 2 0 0 0 0 9 8 1 0 0 0 0 10 9 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 10 14 1 0 0 0 0 14 15 1 0 0 0 0 18 15 1 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 16 19 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 12 22 1 0 0 0 0 22 23 1 0 0 0 0 25 24 1 0 0 0 0 26 29 1 0 0 0 0 27 26 2 0 0 0 0 27 30 1 0 0 0 0 30 28 1 0 0 0 0 28 29 1 0 0 0 0 M END > (386) AZD0530 analogue 12 > (386) Src > (386) 150 > (386) 616 > (386) 1 > (386) Src-P384 > (386) P $$$$ 1,6-naphthyridin 28 csChFnd70/05230809552D 35 38 0 0 0 0 0 0 0 0999 V2000 10.7463 7.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5338 5.5998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7463 4.8998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9587 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9587 5.5998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1710 7.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3835 5.5998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3835 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5338 7.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1710 4.8998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5959 7.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8829 9.7551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6462 9.0989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7824 6.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0191 7.6129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0694 9.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3215 4.8998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9693 5.2623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9793 4.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6270 4.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4247 4.3448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 3.6448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4247 1.5449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 2.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 3.6448 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 2.2448 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.5449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5959 4.8998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5959 3.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8084 2.7999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3836 2.7999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3836 1.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1712 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5959 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3836 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 4 2 0 0 0 0 9 2 2 0 0 0 0 2 3 1 0 0 0 0 3 5 2 0 0 0 0 6 4 1 0 0 0 0 5 4 1 0 0 0 0 5 10 1 0 0 0 0 6 8 2 0 0 0 0 10 7 2 0 0 0 0 7 8 1 0 0 0 0 2 17 1 0 0 0 0 7 28 1 0 0 0 0 8 11 1 0 0 0 0 13 11 1 0 0 0 0 11 14 2 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 25 1 0 0 0 0 24 25 1 0 0 0 0 21 25 1 0 0 0 0 21 22 1 0 0 0 0 22 26 1 0 0 0 0 26 23 1 0 0 0 0 23 24 1 0 0 0 0 26 27 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 35 1 0 0 0 0 M END > (418) 1,6-naphthyridine 28 > (418) Src > (418) 230 > (418) 648 > (418) 1 > (418) Src-P416 > (418) 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 $$$$ 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 $$$$ Pyrazolo[3,4-d]pyrimidine 16 csChFnd70/05230809552D 40 46 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 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 N 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 8.4324 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 31 1 0 0 0 0 31 32 1 0 0 0 0 34 32 1 0 0 0 0 32 33 2 0 0 0 0 35 34 1 0 0 0 0 33 39 1 0 0 0 0 38 35 1 0 0 0 0 36 37 1 0 0 0 0 36 40 2 0 0 0 0 37 38 2 0 0 0 0 39 40 1 0 0 0 0 35 39 2 0 0 0 0 M END > (486) Pyrazolo[3,4-d]pyrimidine 16 > (486) Src > (486) 526 > (486) 716 > (486) 1 > (486) Src-P484 > (486) P $$$$ AZD0530 analogue 13 csChFnd70/05230809552D 33 35 0 0 0 0 0 0 0 0999 V2000 8.6267 6.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0517 7.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4144 5.4939 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4144 4.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6267 1.9940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6267 3.3939 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4144 1.2939 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2019 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2019 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9894 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7771 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7771 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9894 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9894 5.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7771 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5646 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3523 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5646 5.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7771 7.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3523 7.7000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 8.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5646 1.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5646 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0517 6.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8392 5.4939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8392 8.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6267 7.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6269 10.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4144 9.6941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4144 8.2939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8392 9.6939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3317 3.3410 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 12.3317 2.5984 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 26 2 1 0 0 0 0 27 1 1 0 0 0 0 1 25 2 0 0 0 0 24 2 2 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 4 9 1 0 0 0 0 4 6 2 0 0 0 0 8 7 1 0 0 0 0 7 5 2 0 0 0 0 5 6 1 0 0 0 0 13 8 2 0 0 0 0 9 8 1 0 0 0 0 10 9 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 10 14 1 0 0 0 0 14 15 1 0 0 0 0 18 15 1 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 16 19 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 12 22 1 0 0 0 0 22 23 1 0 0 0 0 25 24 1 0 0 0 0 26 31 1 0 0 0 0 26 27 2 0 0 0 0 27 30 1 0 0 0 0 31 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 M END > (494) AZD0530 analogue 13 > (494) Src > (494) 570 > (494) 724 > (494) 1 > (494) Src-P492 > (494) P $$$$ Indolin-2-one deriv. 9c csChFnd70/05230809552D 29 32 0 0 0 0 0 0 0 0999 V2000 3.6373 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 0.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 2.0470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1812 2.4796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0040 1.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1812 0.2143 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4040 1.3469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6139 3.8110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9833 4.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4159 5.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1159 3.2790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5930 6.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1623 7.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3395 8.9776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9471 8.8313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9090 10.2566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2484 4.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8159 5.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7526 6.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6179 3.8110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5546 4.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1218 6.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9125 4.0124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5125 1.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 2.7999 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 9 1 0 0 0 0 5 6 1 0 0 0 0 7 6 1 0 0 0 0 7 8 1 0 0 0 0 9 8 1 0 0 0 0 8 10 2 0 0 0 0 7 11 2 0 0 0 0 11 12 1 0 0 0 0 13 12 2 0 0 0 0 14 12 1 0 0 0 0 14 20 1 0 0 0 0 21 13 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 19 1 0 0 0 0 17 18 2 0 0 0 0 20 23 1 0 0 0 0 20 21 2 0 0 0 0 22 21 1 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 2 28 1 0 0 0 0 28 26 2 0 0 0 0 28 27 2 0 0 0 0 28 29 1 0 0 0 0 M END > (508) Indolin-2-one deriv. 9c > (508) Src > (508) 680 > (508) 738 > (508) 1 > (508) Src-P506 > (508) 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 $$$$ 22 csChFnd70/05230809552D 36 40 0 0 0 0 0 0 0 0999 V2000 14.0638 2.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7638 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1639 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8639 2.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1639 3.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7638 3.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0638 4.8497 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6638 4.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8313 6.1811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3988 4.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0924 5.5989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0293 4.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8946 7.2214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5252 6.9303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5313 4.0268 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7231 5.3079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8639 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.0232 4.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7079 3.3751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4893 1.7300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4391 2.7585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1238 2.0382 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6575 4.4036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3421 3.6832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9530 5.0281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3523 2.6932 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.0557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2313 6.1811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2639 2.4249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2539 1.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4662 2.1351 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.7140 1.5004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7033 2.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0670 3.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6843 3.5179 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 19.6943 4.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 15 8 2 0 0 0 0 15 10 1 0 0 0 0 8 28 1 0 0 0 0 28 9 1 0 0 0 0 9 13 1 0 0 0 0 9 10 2 0 0 0 0 12 10 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 13 14 2 0 0 0 0 11 16 1 0 0 0 0 16 18 1 0 0 0 0 3 17 1 0 0 0 0 21 18 1 0 0 0 0 23 18 2 0 0 0 0 23 19 1 0 0 0 0 19 22 2 0 0 0 0 22 20 1 0 0 0 0 20 21 2 0 0 0 0 19 24 1 0 0 0 0 24 26 1 0 0 0 0 24 25 2 0 0 0 0 26 27 1 0 0 0 0 4 29 1 0 0 0 0 29 30 1 0 0 0 0 31 30 1 1 0 0 0 35 31 1 0 0 0 0 31 32 1 0 0 0 0 35 34 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 35 36 1 0 0 0 0 M END > (512) 2-aminobenzoxazole, 22 > (512) Src > (512) 720 > (512) 742 > (512) 1 > (512) Src-P510 > (512) 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 $$$$ Indolin-2-one deriv. 9h csChFnd70/05230809552D 33 37 0 0 0 0 0 0 0 0999 V2000 4.8898 4.8633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6775 4.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6775 2.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8898 2.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1023 2.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1023 4.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4338 4.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2566 3.4103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4338 2.2777 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6566 3.4103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8665 5.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2359 6.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6685 7.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3685 5.3424 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8456 8.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4150 9.9085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5921 11.0410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1997 10.8947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1616 12.3200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5011 6.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0685 7.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0052 8.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8705 5.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8072 6.9148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3745 8.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4650 2.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2737 2.7988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0412 2.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1913 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4238 0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3150 4.1981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1237 4.9336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 9 1 0 0 0 0 5 6 1 0 0 0 0 7 6 1 0 0 0 0 7 8 1 0 0 0 0 9 8 1 0 0 0 0 8 10 2 0 0 0 0 7 11 2 0 0 0 0 11 12 1 0 0 0 0 13 12 2 0 0 0 0 14 12 1 0 0 0 0 14 20 1 0 0 0 0 21 13 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 19 1 0 0 0 0 17 18 2 0 0 0 0 20 23 1 0 0 0 0 20 21 2 0 0 0 0 22 21 1 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 3 26 1 0 0 0 0 31 26 1 0 0 0 0 27 26 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 27 32 1 0 0 0 0 32 33 1 0 0 0 0 M END > (525) Indolin-2-one deriv. 9h > (525) Src > (525) 840 > (525) 755 > (525) 1 > (525) Src-P523 > (525) 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 $$$$ pyrrollylactone indolinone driv. 15l csChFnd70/05230809552D 27 31 0 0 0 0 0 0 0 0999 V2000 1.2125 2.8002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0002 2.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0002 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 2.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 2.5327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 1.4002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 0.2676 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 1.4002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1891 3.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5584 4.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8236 4.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6848 3.3240 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0009 5.4836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4009 5.4730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1101 6.6801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0191 7.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3101 6.7011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5099 6.6695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4191 7.8978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 4.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 4.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 6.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 7.0001 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 7 2 0 0 0 0 6 5 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 9 8 1 0 0 0 0 5 7 1 0 0 0 0 8 10 2 0 0 0 0 6 11 2 0 0 0 0 11 12 1 0 0 0 0 15 12 2 0 0 0 0 12 14 1 0 0 0 0 14 13 1 0 0 0 0 13 16 2 0 0 0 0 19 15 1 0 0 0 0 15 16 1 0 0 0 0 17 16 1 0 0 0 0 17 21 1 0 0 0 0 21 18 1 0 0 0 0 18 19 1 0 0 0 0 17 20 2 0 0 0 0 1 22 1 0 0 0 0 24 22 1 0 0 0 0 22 25 1 0 0 0 0 27 23 1 0 0 0 0 27 26 1 0 0 0 0 23 24 1 0 0 0 0 25 26 1 0 0 0 0 M END > (544) pyrrollylactone indolinone driv. 15l > (544) Src > (544) 1100 > (544) 774 > (544) 1 > (544) Src-P542 > (544) P $$$$ Indolin-2-one deriv. 9b csChFnd70/05230809552D 26 29 0 0 0 0 0 0 0 0999 V2000 2.4248 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 0.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 2.0470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9687 2.4796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7916 1.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9687 0.2143 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1916 1.3469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4014 3.8110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7709 4.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2034 5.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9034 3.2790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3806 6.5661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9499 7.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1270 8.9776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7347 8.8313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6965 10.2566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0360 4.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6034 5.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5402 6.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4055 3.8110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3422 4.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9094 6.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.8000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 9 1 0 0 0 0 5 6 1 0 0 0 0 7 6 1 0 0 0 0 7 8 1 0 0 0 0 9 8 1 0 0 0 0 8 10 2 0 0 0 0 7 11 2 0 0 0 0 11 12 1 0 0 0 0 13 12 2 0 0 0 0 14 12 1 0 0 0 0 14 20 1 0 0 0 0 21 13 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 19 1 0 0 0 0 17 18 2 0 0 0 0 20 23 1 0 0 0 0 20 21 2 0 0 0 0 22 21 1 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 2 26 1 0 0 0 0 M END > (550) Indolin-2-one deriv. 9b > (550) Src > (550) 1270 > (550) 780 > (550) 1 > (550) Src-P548 > (550) P $$$$ Indolin-2-one deriv. 9e csChFnd70/05230809552D 27 30 0 0 0 0 0 0 0 0999 V2000 2.4248 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 2.0469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 3.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9687 3.8796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7916 2.7469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9687 1.6143 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1916 2.7469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4014 5.2110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7709 5.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2034 6.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9034 4.6790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3806 7.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9499 9.2451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1270 10.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7347 10.2313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6965 11.6566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0360 5.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6034 6.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5402 7.8739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4055 5.2110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3422 6.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9094 7.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 9 1 0 0 0 0 5 6 1 0 0 0 0 7 6 1 0 0 0 0 7 8 1 0 0 0 0 9 8 1 0 0 0 0 8 10 2 0 0 0 0 7 11 2 0 0 0 0 11 12 1 0 0 0 0 13 12 2 0 0 0 0 14 12 1 0 0 0 0 14 20 1 0 0 0 0 21 13 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 19 1 0 0 0 0 17 18 2 0 0 0 0 20 23 1 0 0 0 0 20 21 2 0 0 0 0 22 21 1 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 3 26 1 0 0 0 0 26 27 1 0 0 0 0 M END > (555) Indolin-2-one deriv. 9e > (555) Src > (555) 1390 > (555) 785 > (555) 1 > (555) Src-P553 > (555) P $$$$ 1,6-naphthyridin 30 csChFnd70/05230809552D 27 29 0 0 0 0 0 0 0 0999 V2000 10.8035 4.6827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5910 2.5826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8035 1.8826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0159 3.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0159 2.5826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2282 4.6827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4407 2.5826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4407 3.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5910 3.9827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2282 1.8826 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6531 4.6827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9401 6.7378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7033 6.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8396 3.9396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0763 4.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1266 5.9947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3787 1.8826 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0265 2.2450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0365 1.2550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6842 1.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6531 1.8826 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6944 0.6275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3421 0.9898 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9798 2.3421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6275 2.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3521 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 4 2 0 0 0 0 9 2 2 0 0 0 0 2 3 1 0 0 0 0 3 5 2 0 0 0 0 6 4 1 0 0 0 0 5 4 1 0 0 0 0 5 10 1 0 0 0 0 6 8 2 0 0 0 0 10 7 2 0 0 0 0 7 8 1 0 0 0 0 2 17 1 0 0 0 0 7 21 1 0 0 0 0 8 11 1 0 0 0 0 13 11 1 0 0 0 0 11 14 2 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 26 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 26 27 1 0 0 0 0 M END > (558) 1,6-naphthyridine 30 > (558) Src > (558) 1400 > (558) 788 > (558) 1 > (558) Src-P556 > (558) P $$$$ 1,6-naphthyridin 27 csChFnd70/05230809552D 28 31 0 0 0 0 0 0 0 0999 V2000 10.7463 6.1551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5338 4.0550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7463 3.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9587 5.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9587 4.0550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1710 6.1551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3835 4.0550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3835 5.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5338 5.4551 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1710 3.3550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5959 6.1551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8829 8.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6462 7.5540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7824 5.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0191 6.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0694 7.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3215 3.3550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9693 3.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9793 2.7275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6270 3.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5959 3.3550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4247 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4247 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 2.0999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 0.7000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 4 2 0 0 0 0 9 2 2 0 0 0 0 2 3 1 0 0 0 0 3 5 2 0 0 0 0 6 4 1 0 0 0 0 5 4 1 0 0 0 0 5 10 1 0 0 0 0 6 8 2 0 0 0 0 10 7 2 0 0 0 0 7 8 1 0 0 0 0 2 17 1 0 0 0 0 7 21 1 0 0 0 0 8 11 1 0 0 0 0 13 11 1 0 0 0 0 11 14 2 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 26 1 0 0 0 0 25 26 1 0 0 0 0 22 26 1 0 0 0 0 22 23 1 0 0 0 0 23 27 1 0 0 0 0 27 24 1 0 0 0 0 24 25 1 0 0 0 0 27 28 1 0 0 0 0 M END > (572) 1,6-naphthyridine 27 > (572) Src > (572) 1600 > (572) 802 > (572) 1 > (572) Src-P570 > (572) P $$$$ Indolin-2-one deriv. 9a csChFnd70/05230809552D 25 28 0 0 0 0 0 0 0 0999 V2000 1.2123 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 0.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 2.0470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7562 2.4796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5791 1.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7562 0.2143 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9791 1.3469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 3.8110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5584 4.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9909 5.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6910 3.2790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1681 6.5661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7374 7.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9146 8.9776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5222 8.8313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4841 10.2566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8235 4.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3909 5.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3277 6.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1930 3.8110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1297 4.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6970 6.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 9 1 0 0 0 0 5 6 1 0 0 0 0 7 6 1 0 0 0 0 7 8 1 0 0 0 0 9 8 1 0 0 0 0 8 10 2 0 0 0 0 7 11 2 0 0 0 0 11 12 1 0 0 0 0 13 12 2 0 0 0 0 14 12 1 0 0 0 0 14 20 1 0 0 0 0 21 13 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 19 1 0 0 0 0 17 18 2 0 0 0 0 20 23 1 0 0 0 0 20 21 2 0 0 0 0 22 21 1 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 M END > (582) Indolin-2-one deriv. 9a > (582) Src > (582) 1890 > (582) 812 > (582) 1 > (582) Src-P580 > (582) P $$$$ 1,6-naphthyridin 26 csChFnd70/05230809552D 39 41 0 0 0 0 0 0 0 0999 V2000 11.8553 7.6880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6428 5.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8553 4.8878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0678 6.9880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0678 5.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2800 7.6880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4925 5.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4925 6.9880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6428 6.9880 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2800 4.8878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.7050 7.6880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9919 9.7431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7552 9.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8915 6.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1282 7.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1784 9.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0420 11.1421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2787 11.7983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3147 6.8580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5514 7.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4305 4.8878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0783 5.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0883 4.2603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7360 4.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7461 3.6328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7050 4.8878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.7050 3.4879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9174 2.7879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4927 2.7879 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2802 0.6879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4927 1.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8450 1.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6754 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3939 3.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1916 0.9051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4040 1.6051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4040 3.0051 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1106 3.5408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.6885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 4 2 0 0 0 0 9 2 2 0 0 0 0 2 3 1 0 0 0 0 3 5 2 0 0 0 0 6 4 1 0 0 0 0 5 4 1 0 0 0 0 5 10 1 0 0 0 0 6 8 2 0 0 0 0 10 7 2 0 0 0 0 7 8 1 0 0 0 0 2 21 1 0 0 0 0 7 26 1 0 0 0 0 8 11 1 0 0 0 0 13 11 1 0 0 0 0 11 14 2 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 12 17 1 0 0 0 0 15 19 1 0 0 0 0 17 18 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 34 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 31 1 0 0 0 0 31 30 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 34 37 1 0 0 0 0 36 37 1 0 0 0 0 35 36 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 M END > (617) 1,6-naphthyridine 26 > (617) Src > (617) 3600 > (617) 847 > (617) 1 > (617) Src-P615 > (617) P $$$$ 1,6-naphthyridin 20 csChFnd70/05230809552D 40 43 0 0 0 0 0 0 0 0999 V2000 12.6615 7.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4491 5.5999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6615 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8740 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8740 5.5999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0863 7.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2987 5.5999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2987 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4491 7.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0863 4.8999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.5112 7.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7981 9.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5614 9.0989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6977 6.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9344 7.6129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9846 9.0121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8482 11.1541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0849 11.8103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1209 6.8700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3576 7.5261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5112 4.8999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.5112 3.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7235 2.7999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2987 2.7999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.2987 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0863 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5112 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2987 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2368 4.8999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8845 5.2623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8945 4.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 4.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5524 3.6448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 2.7947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5001 2.7947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5001 5.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 5.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2001 4.0071 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 4.0071 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 4 2 0 0 0 0 9 2 2 0 0 0 0 2 3 1 0 0 0 0 3 5 2 0 0 0 0 6 4 1 0 0 0 0 5 4 1 0 0 0 0 5 10 1 0 0 0 0 6 8 2 0 0 0 0 10 7 2 0 0 0 0 7 8 1 0 0 0 0 2 29 1 0 0 0 0 7 21 1 0 0 0 0 8 11 1 0 0 0 0 13 11 1 0 0 0 0 11 14 2 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 12 17 1 0 0 0 0 15 19 1 0 0 0 0 17 18 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 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 29 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 38 1 0 0 0 0 35 38 1 0 0 0 0 38 36 1 0 0 0 0 39 34 1 0 0 0 0 39 37 1 0 0 0 0 34 35 1 0 0 0 0 36 37 1 0 0 0 0 39 40 1 0 0 0 0 M END > (630) 1,6-naphthyridine 20 > (630) Src > (630) 4100 > (630) 860 > (630) 1 > (630) Src-P628 > (630) P $$$$ 1,6-naphthyridin 23 csChFnd70/05230809552D 38 40 0 0 0 0 0 0 0 0999 V2000 10.5614 7.6880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3489 5.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5614 4.8878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7738 6.9879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7738 5.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9861 7.6880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1986 5.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1986 6.9879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3489 6.9879 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9861 4.8878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.4110 7.6880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6980 9.7431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4613 9.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5975 6.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8343 7.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8845 9.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7480 11.1420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9848 11.7983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0208 6.8580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2575 7.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1366 4.8878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7843 5.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7943 4.2603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4421 4.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4522 3.6328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 3.9951 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 2.7826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.7826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5642 5.2885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1761 5.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4110 4.8878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.4110 3.4879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6235 2.7879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1987 2.7879 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9863 0.6879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1987 1.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5510 1.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3815 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 4 2 0 0 0 0 9 2 2 0 0 0 0 2 3 1 0 0 0 0 3 5 2 0 0 0 0 6 4 1 0 0 0 0 5 4 1 0 0 0 0 5 10 1 0 0 0 0 6 8 2 0 0 0 0 10 7 2 0 0 0 0 7 8 1 0 0 0 0 2 21 1 0 0 0 0 7 31 1 0 0 0 0 8 11 1 0 0 0 0 13 11 1 0 0 0 0 11 14 2 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 12 17 1 0 0 0 0 15 19 1 0 0 0 0 17 18 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 27 26 1 0 0 0 0 27 28 1 0 0 0 0 26 29 1 0 0 0 0 29 30 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 36 1 0 0 0 0 36 35 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 M END > (637) 1,6-naphthyridine 23 > (637) Src > (637) 4600 > (637) 867 > (637) 1 > (637) Src-P635 > (637) P $$$$ tetrahydroindole deriv. 4a csChFnd70/05230809552D 20 23 0 0 0 0 0 0 0 0999 V2000 1.2125 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7562 2.5327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5791 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7562 0.2674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9791 1.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 3.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4013 4.5641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7736 5.9136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6643 4.6660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1722 5.9765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0613 7.0582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0454 4.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9344 5.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4424 6.8289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5698 3.7929 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 6 2 0 0 0 0 7 5 1 0 0 0 0 6 5 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 9 8 1 0 0 0 0 8 10 2 0 0 0 0 7 11 2 0 0 0 0 11 12 1 0 0 0 0 13 12 2 0 0 0 0 20 12 1 0 0 0 0 20 14 1 0 0 0 0 15 13 1 0 0 0 0 14 17 1 0 0 0 0 14 15 2 0 0 0 0 16 15 1 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 M END > (638) Indolin-2-one deriv. 4a > (638) Src > (638) 4740 > (638) 868 > (638) 1 > (638) Src-P636 > (638) P $$$$ tetrahydroindole deriv. 4b csChFnd70/05230809552D 21 24 0 0 0 0 0 0 0 0999 V2000 2.4250 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9687 2.5327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7916 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9687 0.2674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1916 1.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4014 3.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6138 4.5641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9861 5.9136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8768 4.6660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3847 5.9765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2737 7.0582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2578 4.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1469 5.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6549 6.8289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7823 3.7929 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.8000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 6 2 0 0 0 0 7 5 1 0 0 0 0 6 5 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 9 8 1 0 0 0 0 8 10 2 0 0 0 0 7 11 2 0 0 0 0 11 12 1 0 0 0 0 13 12 2 0 0 0 0 20 12 1 0 0 0 0 20 14 1 0 0 0 0 15 13 1 0 0 0 0 14 17 1 0 0 0 0 14 15 2 0 0 0 0 16 15 1 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 2 21 1 0 0 0 0 M END > (640) Indolin-2-one deriv. 4b > (640) Src > (640) 4920 > (640) 870 > (640) 1 > (640) Src-P638 > (640) P $$$$ 1,6-naphthyridin 25 csChFnd70/05230809552D 41 44 0 0 0 0 0 0 0 0999 V2000 13.0886 7.6880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8762 5.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0886 4.8878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3011 6.9879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3011 5.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5134 7.6880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7258 5.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7258 6.9879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8762 6.9879 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5134 4.8878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.9383 7.6880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2252 9.7431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9885 9.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1248 6.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3615 7.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4117 9.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2753 11.1420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5120 11.7983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5480 6.8580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7847 7.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6639 4.8878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3116 5.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3216 4.2603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9693 4.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9795 3.6328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9383 4.8878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.9383 3.4879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1508 2.7879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7260 2.7879 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5135 0.6879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7260 1.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0783 1.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9087 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6272 3.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 3.7051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 3.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 0.9051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6374 1.6051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6374 3.0051 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 1.6051 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.9051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 4 2 0 0 0 0 9 2 2 0 0 0 0 2 3 1 0 0 0 0 3 5 2 0 0 0 0 6 4 1 0 0 0 0 5 4 1 0 0 0 0 5 10 1 0 0 0 0 6 8 2 0 0 0 0 10 7 2 0 0 0 0 7 8 1 0 0 0 0 2 21 1 0 0 0 0 7 26 1 0 0 0 0 8 11 1 0 0 0 0 13 11 1 0 0 0 0 11 14 2 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 12 17 1 0 0 0 0 15 19 1 0 0 0 0 17 18 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 34 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 31 1 0 0 0 0 31 30 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 34 39 1 0 0 0 0 38 39 1 0 0 0 0 35 39 1 0 0 0 0 35 36 1 0 0 0 0 36 40 1 0 0 0 0 40 37 1 0 0 0 0 37 38 1 0 0 0 0 40 41 1 0 0 0 0 M END > (652) 1,6-naphthyridine 25 > (652) Src > (652) 6100 > (652) 882 > (652) 1 > (652) Src-P650 > (652) P $$$$ 1,6-naphthyridin 29 csChFnd70/05230809552D 38 42 0 0 0 0 0 0 0 0999 V2000 10.7463 9.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5338 6.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7463 6.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9587 8.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9587 6.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1710 9.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3835 6.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3835 8.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5338 8.3999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1710 6.2998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5959 9.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8829 11.1551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6462 10.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7824 8.3568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0191 9.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0694 10.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3215 6.2998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9693 6.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9793 5.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6270 6.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4247 5.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 5.0448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4247 2.9448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 3.6448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 5.0448 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 3.6448 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.9448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5959 6.2998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5959 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8084 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8084 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2331 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0207 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2331 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4456 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0207 2.0999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.4456 0.7000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.6579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 4 2 0 0 0 0 9 2 2 0 0 0 0 2 3 1 0 0 0 0 3 5 2 0 0 0 0 6 4 1 0 0 0 0 5 4 1 0 0 0 0 5 10 1 0 0 0 0 6 8 2 0 0 0 0 10 7 2 0 0 0 0 7 8 1 0 0 0 0 2 17 1 0 0 0 0 7 28 1 0 0 0 0 8 11 1 0 0 0 0 13 11 1 0 0 0 0 11 14 2 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 25 1 0 0 0 0 24 25 1 0 0 0 0 21 25 1 0 0 0 0 21 22 1 0 0 0 0 22 26 1 0 0 0 0 26 23 1 0 0 0 0 23 24 1 0 0 0 0 26 27 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 36 1 0 0 0 0 32 36 1 0 0 0 0 36 33 1 0 0 0 0 32 35 1 0 0 0 0 33 34 1 0 0 0 0 34 37 1 0 0 0 0 37 35 1 0 0 0 0 37 38 1 0 0 0 0 M END > (655) 1,6-naphthyridine 29 > (655) Src > (655) 6800 > (655) 885 > (655) 1 > (655) Src-P653 > (655) P $$$$ 1,6-naphthyridin 22 csChFnd70/05230809552D 36 38 0 0 0 0 0 0 0 0999 V2000 10.5613 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3489 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5613 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7738 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7738 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9860 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1985 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1985 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3489 6.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9860 4.1999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.4109 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6979 9.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4612 8.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5974 6.2569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8341 6.9129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8844 8.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7479 10.4541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9847 11.1103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0207 6.1700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2574 6.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1366 4.1999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7843 4.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7943 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4420 3.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4522 2.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0999 3.3072 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 2.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5642 4.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1761 4.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4109 4.1999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.4109 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6234 2.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1987 2.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1987 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9862 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 4 2 0 0 0 0 9 2 2 0 0 0 0 2 3 1 0 0 0 0 3 5 2 0 0 0 0 6 4 1 0 0 0 0 5 4 1 0 0 0 0 5 10 1 0 0 0 0 6 8 2 0 0 0 0 10 7 2 0 0 0 0 7 8 1 0 0 0 0 2 21 1 0 0 0 0 7 31 1 0 0 0 0 8 11 1 0 0 0 0 13 11 1 0 0 0 0 11 14 2 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 12 17 1 0 0 0 0 15 19 1 0 0 0 0 17 18 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 27 26 1 0 0 0 0 27 28 1 0 0 0 0 26 29 1 0 0 0 0 29 30 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 M END > (657) 1,6-naphthyridine 22 > (657) Src > (657) 7000 > (657) 887 > (657) 1 > (657) Src-P655 > (657) P $$$$ pyrrollylactone indolinone driv. 15n csChFnd70/05230809552D 27 31 0 0 0 0 0 0 0 0999 V2000 4.8428 4.9853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6305 4.2853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6305 2.8851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8428 2.1851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0553 4.2853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3867 4.7179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0553 2.8851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2095 3.5853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3867 2.4528 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6095 3.5853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8194 6.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1887 6.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4539 6.3235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3151 5.5092 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6312 7.6687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0312 7.6582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7404 8.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6494 10.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9404 8.8863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1402 8.8547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0494 10.0829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4180 2.1851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1565 2.7921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.0032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1051 0.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3666 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5231 0.7891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 7 2 0 0 0 0 6 5 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 9 8 1 0 0 0 0 5 7 1 0 0 0 0 8 10 2 0 0 0 0 6 11 2 0 0 0 0 11 12 1 0 0 0 0 15 12 2 0 0 0 0 12 14 1 0 0 0 0 14 13 1 0 0 0 0 13 16 2 0 0 0 0 19 15 1 0 0 0 0 15 16 1 0 0 0 0 17 16 1 0 0 0 0 17 21 1 0 0 0 0 21 18 1 0 0 0 0 18 19 1 0 0 0 0 17 20 2 0 0 0 0 3 22 1 0 0 0 0 27 22 1 0 0 0 0 23 22 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 M END > (667) pyrrollylactone indolinone driv. 15n > (667) Src > (667) 8400 > (667) 897 > (667) 1 > (667) Src-P665 > (667) P $$$$ 1,6-naphthyridine 17 csChFnd70/05230809552D 39 42 0 0 0 0 0 0 0 0999 V2000 13.1715 7.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3840 5.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3840 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9591 5.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9591 7.0531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7467 7.7531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5343 5.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7467 4.9529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5343 7.0531 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1715 4.9000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5963 7.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0210 7.7365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9999 9.1363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8192 7.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5753 9.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7771 9.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7771 11.2180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5646 11.9180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2438 7.0548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2438 5.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3218 4.9529 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9695 5.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9796 4.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6273 4.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 4.3975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 3.6975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 1.5975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 2.2975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 3.6975 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 2.2975 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.5975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5963 4.9000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5963 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8086 2.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3839 2.8000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5960 0.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0314 1.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3837 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3837 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 3 2 0 0 0 0 4 10 1 0 0 0 0 10 2 2 0 0 0 0 2 3 1 0 0 0 0 8 4 2 0 0 0 0 5 4 1 0 0 0 0 6 5 2 0 0 0 0 6 9 1 0 0 0 0 9 7 2 0 0 0 0 7 8 1 0 0 0 0 7 21 1 0 0 0 0 3 11 1 0 0 0 0 15 11 1 0 0 0 0 11 14 2 0 0 0 0 16 15 2 0 0 0 0 16 13 1 0 0 0 0 14 12 1 0 0 0 0 12 13 2 0 0 0 0 2 32 1 0 0 0 0 16 17 1 0 0 0 0 12 19 1 0 0 0 0 17 18 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 29 1 0 0 0 0 28 29 1 0 0 0 0 25 29 1 0 0 0 0 25 26 1 0 0 0 0 26 30 1 0 0 0 0 30 27 1 0 0 0 0 27 28 1 0 0 0 0 30 31 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 38 1 0 0 0 0 38 36 1 0 0 0 0 38 37 1 0 0 0 0 38 39 1 0 0 0 0 M END > (671) 1,6-naphthyridine 17 > (671) Src > (671) 9100 > (671) 901 > (671) 1 > (671) Src-P669 > (671) 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 $$$$ AZD0530 analogue 30 csChFnd70/05230809552D 36 38 0 0 0 0 0 0 0 0999 V2000 13.1759 6.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6009 7.5116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9636 5.4116 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9636 4.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1759 1.9116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1759 3.3116 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9636 1.2116 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7511 2.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7511 3.4177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5387 4.1177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3264 3.4177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3264 2.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5387 1.3177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6009 6.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3884 5.4116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5387 5.5177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3262 6.2177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3262 7.6177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1138 5.5177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1138 1.3177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9014 2.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6890 1.3177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 2.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1570 2.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.3862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3922 0.0424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7915 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2641 1.3177 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1759 7.5116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3884 8.2116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7050 9.7273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3884 4.0116 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 12.1355 8.4485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0974 9.5809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5551 1.3496 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 15.5551 0.1298 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 30 2 1 0 0 0 0 29 1 1 0 0 0 0 1 15 2 0 0 0 0 14 2 2 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 4 9 1 0 0 0 0 4 6 2 0 0 0 0 8 7 1 0 0 0 0 7 5 2 0 0 0 0 5 6 1 0 0 0 0 13 8 2 0 0 0 0 9 8 1 0 0 0 0 10 9 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 15 14 1 0 0 0 0 10 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 12 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 28 1 0 0 0 0 27 28 1 0 0 0 0 24 28 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 29 33 1 0 0 0 0 30 29 2 0 0 0 0 30 34 1 0 0 0 0 34 31 1 0 0 0 0 31 33 1 0 0 0 0 15 32 1 0 0 0 0 M END > (90) AZD0530 analogue 30 > (90) Src > (90) <4 > (90) 320 > (90) 1 > (90) Src-P88 > (90) P $$$$ AZD0530 analogue 25 csChFnd70/05230809552D 39 44 0 0 0 0 0 0 0 0999 V2000 14.5490 6.8938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9739 8.2938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3367 6.1939 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3367 4.7939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5490 2.6939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5490 4.0939 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3367 1.9939 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 2.8000 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 10.9117 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6994 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6994 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 6.2999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4870 2.1000 0.0000 O 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 8.4870 9.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2747 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4870 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6994 8.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2747 8.3999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9739 6.8938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7614 6.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2745 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0620 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 2.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 0.7000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5490 8.2938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7614 8.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0781 10.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7614 4.7939 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 15.4704 10.3631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5086 9.2307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35 2 1 0 0 0 0 34 1 1 0 0 0 0 1 23 2 0 0 0 0 22 2 2 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 4 9 1 0 0 0 0 4 6 2 0 0 0 0 8 7 1 0 0 0 0 7 5 2 0 0 0 0 5 6 1 0 0 0 0 13 8 2 0 0 0 0 9 8 1 0 0 0 0 10 9 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 10 14 1 0 0 0 0 14 16 1 0 0 0 0 12 15 1 0 0 0 0 15 24 1 0 0 0 0 19 16 1 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 17 20 1 0 0 0 0 21 18 1 0 0 0 0 18 19 1 0 0 0 0 23 22 1 0 0 0 0 24 25 1 0 0 0 0 26 25 1 0 0 0 0 26 31 1 0 0 0 0 30 31 1 0 0 0 0 27 31 1 0 0 0 0 27 28 1 0 0 0 0 28 32 1 0 0 0 0 32 29 1 0 0 0 0 29 30 1 0 0 0 0 32 33 1 0 0 0 0 34 39 1 0 0 0 0 35 34 2 0 0 0 0 35 38 1 0 0 0 0 38 36 1 0 0 0 0 36 39 1 0 0 0 0 23 37 1 0 0 0 0 M END > (92) AZD0530 analogue 25 > (92) Src > (92) <4 > (92) 322 > (92) 1 > (92) Src-P90 > (92) P $$$$ AZD0530 analogue 21 csChFnd70/05230809552D 38 42 0 0 0 0 0 0 0 0999 V2000 15.7614 8.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5490 8.2938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5490 6.8938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9739 8.2938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3367 6.1939 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3367 4.7939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5490 2.6939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5490 4.0939 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3367 1.9939 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 2.8000 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 10.9117 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6994 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6994 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 6.2999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9739 6.8938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7614 6.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4870 2.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2745 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 2.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 0.7000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 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 8.4870 9.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2747 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4870 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6994 8.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2747 8.3999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1864 4.7939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1864 6.1939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3365 8.9938 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 4 1 0 0 0 0 2 3 1 0 0 0 0 3 18 2 0 0 0 0 17 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 11 1 0 0 0 0 6 8 2 0 0 0 0 10 9 1 0 0 0 0 9 7 2 0 0 0 0 7 8 1 0 0 0 0 15 10 2 0 0 0 0 11 10 1 0 0 0 0 12 11 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 12 16 1 0 0 0 0 16 30 1 0 0 0 0 14 19 1 0 0 0 0 18 17 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 27 1 0 0 0 0 26 27 1 0 0 0 0 23 27 1 0 0 0 0 23 24 1 0 0 0 0 24 28 1 0 0 0 0 28 25 1 0 0 0 0 25 26 1 0 0 0 0 28 29 1 0 0 0 0 33 30 1 0 0 0 0 30 34 1 0 0 0 0 31 35 1 0 0 0 0 31 34 1 0 0 0 0 35 32 1 0 0 0 0 32 33 1 0 0 0 0 2 38 1 0 0 0 0 17 37 1 0 0 0 0 37 36 1 0 0 0 0 M END > (93) AZD0530 analogue 21 > (93) Src > (93) <4 > (93) 323 > (93) 1 > (93) Src-P91 > (93) P $$$$ AZD0530 analogue 15 csChFnd70/05230809552D 37 42 0 0 0 0 0 0 0 0999 V2000 13.0583 6.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4833 8.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8460 5.9409 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8460 4.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0583 2.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0583 3.8409 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8460 1.7409 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6335 2.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6335 3.9470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4211 4.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2088 3.9470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2088 2.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4211 1.8470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4211 6.0470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9962 1.8470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7838 2.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5714 1.8470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2088 6.7469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9962 8.8470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7840 6.7469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9962 6.0470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2088 8.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7840 8.1470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4833 6.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2708 5.9409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3590 2.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8105 2.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.1236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8351 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1618 0.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1465 1.8470 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0583 8.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2708 8.7409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5874 10.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2708 4.5409 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 12.0179 8.9778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9798 10.1102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33 2 1 0 0 0 0 32 1 1 0 0 0 0 1 25 2 0 0 0 0 24 2 2 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 4 9 1 0 0 0 0 4 6 2 0 0 0 0 8 7 1 0 0 0 0 7 5 2 0 0 0 0 5 6 1 0 0 0 0 13 8 2 0 0 0 0 9 8 1 0 0 0 0 10 9 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 10 14 1 0 0 0 0 14 18 1 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 26 1 0 0 0 0 21 18 1 0 0 0 0 18 22 1 0 0 0 0 19 23 1 0 0 0 0 19 22 1 0 0 0 0 23 20 1 0 0 0 0 20 21 1 0 0 0 0 25 24 1 0 0 0 0 26 31 1 0 0 0 0 30 31 1 0 0 0 0 27 31 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 32 36 1 0 0 0 0 33 32 2 0 0 0 0 33 37 1 0 0 0 0 37 34 1 0 0 0 0 34 36 1 0 0 0 0 25 35 1 0 0 0 0 M END > (94) AZD0530 analogue 15 > (94) Src > (94) <4 > (94) 324 > (94) 1 > (94) Src-P92 > (94) P $$$$ AZD0530 analogue 9 csChFnd70/05230809552D 36 40 0 0 0 0 0 0 0 0999 V2000 14.5491 8.9939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3367 8.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3367 6.8939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7616 8.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1243 6.1939 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1243 4.7939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3367 2.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3367 4.0939 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1243 1.9939 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9119 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9119 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6994 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4871 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4871 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6994 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6994 6.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7616 6.8939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5491 6.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 2.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 2.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4871 7.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.2992 8.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2583 7.4046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2257 6.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9216 8.6372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9741 4.7939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9741 6.1939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 8.9939 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 4 1 0 0 0 0 2 3 1 0 0 0 0 3 18 2 0 0 0 0 17 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 11 1 0 0 0 0 6 8 2 0 0 0 0 10 9 1 0 0 0 0 9 7 2 0 0 0 0 7 8 1 0 0 0 0 15 10 2 0 0 0 0 11 10 1 0 0 0 0 12 11 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 12 16 1 0 0 0 0 16 29 1 0 0 0 0 14 19 1 0 0 0 0 18 17 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 27 1 0 0 0 0 26 27 1 0 0 0 0 23 27 1 0 0 0 0 23 24 1 0 0 0 0 24 28 1 0 0 0 0 28 25 1 0 0 0 0 25 26 1 0 0 0 0 32 29 1 0 0 0 0 30 29 1 0 0 0 0 30 33 1 0 0 0 0 33 31 1 0 0 0 0 31 32 1 0 0 0 0 2 36 1 0 0 0 0 17 35 1 0 0 0 0 35 34 1 0 0 0 0 M END > (95) AZD0530 analogue 9 > (95) Src > (95) <4 > (95) 325 > (95) 1 > (95) Src-P93 > (95) P $$$$ Benzofuran deriv. 13 csChFnd70/05230809552D 33 37 0 0 0 0 0 0 0 0999 V2000 9.5775 6.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3652 4.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5775 3.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7900 5.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7900 3.9623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0025 6.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2148 3.9623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3652 5.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1527 3.3152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2148 5.3623 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0025 3.2622 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0025 7.4622 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1527 6.1154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1527 7.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8004 3.6777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8104 2.6878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4581 3.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2785 2.7986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0445 2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1896 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4236 0.6612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4681 2.0605 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2150 8.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4274 7.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6398 8.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6398 9.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2681 9.7744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4804 10.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1894 11.8438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7970 11.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2277 10.7111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1261 12.8842 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 4 2 0 0 0 0 8 2 2 0 0 0 0 2 3 1 0 0 0 0 3 5 2 0 0 0 0 6 4 1 0 0 0 0 5 4 1 0 0 0 0 5 11 1 0 0 0 0 6 10 2 0 0 0 0 11 7 2 0 0 0 0 7 10 1 0 0 0 0 8 13 1 0 0 0 0 2 9 1 0 0 0 0 9 15 1 0 0 0 0 6 12 1 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 22 1 0 0 0 0 21 22 1 0 0 0 0 18 22 1 0 0 0 0 18 19 1 0 0 0 0 19 23 1 0 0 0 0 23 20 1 0 0 0 0 20 21 1 0 0 0 0 28 24 1 0 0 0 0 24 25 2 0 0 0 0 29 27 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 28 32 1 0 0 0 0 29 28 2 0 0 0 0 29 30 1 0 0 0 0 31 32 1 0 0 0 0 31 30 2 0 0 0 0 30 33 1 0 0 0 0 M END > (97) Benzofuran deriv. 13 > (97) Src > (97) <4 > (97) 327 > (97) 1 > (97) Src-P95 > (97) P $$$$