4.cdx Wcorina 06010716263D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 36 38 0 0 0 0 0 0 0 0999 V2000 1.0285 -0.5064 0.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0908 -0.0527 -0.6678 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3098 1.1239 -1.3635 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4673 1.8483 -1.1509 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4109 1.3942 -0.2382 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 0.2132 0.4579 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5828 2.1244 -0.0207 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5661 3.5015 -0.1173 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4279 4.1574 -0.3026 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7619 4.2514 -0.0155 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6777 5.6615 -0.1226 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4738 6.2229 -0.3150 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3977 5.4772 -0.3966 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0052 3.6395 0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1303 4.4082 0.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0548 5.8044 0.1728 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8443 6.4303 -0.0253 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3371 3.8130 0.4741 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3489 2.3875 0.5735 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0457 7.9649 0.1528 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1879 6.5477 0.2680 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8703 1.6895 -2.5042 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.8527 -1.4224 0.7855 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8143 -0.6175 -0.8356 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6382 2.7660 -1.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9192 -0.1420 1.1684 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4078 1.6635 0.1982 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4450 5.9616 -0.5518 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0741 2.5649 0.2686 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7950 7.5062 -0.1052 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7290 2.0768 1.4144 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9556 1.9559 -0.3469 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3712 2.0426 0.7286 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6159 8.2092 -0.8186 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3891 8.3296 0.9428 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0237 8.4370 0.2465 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 3 4 2 0 0 0 0 3 22 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 8 9 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 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 12 13 2 0 0 0 0 13 28 1 0 0 0 0 14 15 2 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 30 1 0 0 0 0 18 19 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 M END > (234) 239 > (234) C16H14ClN3O2 > (234) 315.75426 > (234) 4 > (234) PMID_10090785 > (234) 1999 > (234) EGFR > (234) 2700 $$$$ Structure142 Wcorina 06010716263D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 68 71 0 0 0 0 0 0 0 0999 V2000 -0.0160 1.3271 0.0093 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1218 -0.7019 -0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3072 -0.0793 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3245 1.3404 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4525 -0.7633 -0.0347 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6197 -0.1520 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7140 1.2557 -0.0362 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7820 -0.9096 -0.0583 N 0 0 3 0 0 0 0 0 0 0 0 0 5.7091 -2.2554 -0.0645 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8382 -2.9913 -0.0793 N 0 0 3 0 0 0 0 0 0 0 0 0 4.6251 -2.8055 -0.0567 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2016 -0.6830 0.0099 N 0 0 3 0 0 0 0 0 0 0 0 0 6.0414 1.9159 -0.0451 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6798 2.2213 1.1569 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9167 2.8361 1.1419 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5220 3.1492 -0.0617 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8941 2.8491 -1.2571 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6597 2.2292 -1.2556 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0992 2.0289 0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5553 2.0162 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8766 1.8468 -2.7569 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.9212 1.8300 2.6686 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.7590 -4.4541 -0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9991 -4.9180 -1.3303 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1718 -5.0412 -0.1028 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0235 -4.9309 1.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1923 -1.7812 -1.2414 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0789 -1.0854 0.0545 N 0 0 3 0 0 0 0 0 0 0 0 0 -7.3618 -0.3795 0.2813 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3641 -1.1533 -0.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9528 -0.1421 0.0488 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6357 -0.9203 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5317 -1.4901 -1.7973 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.4628 0.0622 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0728 -2.6577 -2.5057 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6470 -0.4707 -0.0644 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7032 -2.5523 -0.0855 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2114 -1.6529 0.0048 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4120 3.0730 2.0719 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4888 3.6305 -0.0682 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3718 3.0965 -2.1936 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0724 3.1085 0.0085 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5979 3.0953 -0.0149 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5231 -4.5784 -2.2237 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9402 -6.0064 -1.3353 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9926 -4.4997 -1.3183 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7132 -4.7108 0.7836 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1129 -6.1296 -0.1079 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6958 -4.7016 -0.9963 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0170 -4.5126 1.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9646 -6.0193 1.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5649 -4.6004 2.0545 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4231 -1.4187 -1.9233 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0793 -2.8554 -1.0946 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6540 -0.4418 1.3295 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2889 0.6606 -0.0366 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7113 -2.0575 -0.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2034 -0.5178 -0.8934 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0128 0.4899 -0.8373 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9957 0.4804 0.9426 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5757 -1.5523 0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5928 -1.5427 -0.8618 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5057 0.6846 0.9198 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5228 0.6942 -0.8601 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1562 -3.4959 -1.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0582 -2.4163 -2.9044 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4057 -2.9272 -3.3245 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 2 0 0 0 0 2 3 2 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 4 6 2 0 0 0 0 4 5 1 0 0 0 0 5 20 1 0 0 0 0 5 21 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 14 1 0 0 0 0 8 21 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 11 24 1 0 0 0 0 11 38 1 0 0 0 0 13 35 1 0 0 0 0 13 39 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 23 1 0 0 0 0 16 17 2 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 18 19 2 0 0 0 0 18 42 1 0 0 0 0 19 22 1 0 0 0 0 20 43 1 0 0 0 0 21 44 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 45 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 28 29 1 0 0 0 0 28 34 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 29 30 1 0 0 0 0 29 32 1 0 0 0 0 30 31 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 31 34 1 0 0 0 0 31 58 1 0 0 0 0 31 59 1 0 0 0 0 32 33 1 0 0 0 0 32 60 1 0 0 0 0 32 61 1 0 0 0 0 33 35 1 0 0 0 0 33 62 1 0 0 0 0 33 63 1 0 0 0 0 34 36 1 0 0 0 0 35 64 1 0 0 0 0 35 65 1 0 0 0 0 36 66 1 0 0 0 0 36 67 1 0 0 0 0 36 68 1 0 0 0 0 M END > (245) 9240345-6b > (245) src > (245) 31 > (245) -1 > (245) P > (245) src $$$$ Structure140 Wcorina 06010716263D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 39 41 0 0 0 0 0 0 0 0999 V2000 -0.0160 1.3271 0.0093 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1218 -0.7019 -0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3072 -0.0793 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3245 1.3404 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4525 -0.7633 -0.0347 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6197 -0.1520 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7140 1.2557 -0.0362 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7820 -0.9096 -0.0583 N 0 0 3 0 0 0 0 0 0 0 0 0 5.7091 -2.2554 -0.0645 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8382 -2.9913 -0.0793 N 0 0 3 0 0 0 0 0 0 0 0 0 4.6251 -2.8055 -0.0567 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2016 -0.6830 0.0099 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0414 1.9159 -0.0451 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6798 2.2213 1.1569 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9167 2.8361 1.1419 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5220 3.1492 -0.0617 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8941 2.8491 -1.2571 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6597 2.2292 -1.2556 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0992 2.0289 0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5553 2.0162 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8766 1.8468 -2.7569 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.9212 1.8300 2.6686 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.1718 -5.0412 -0.1028 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7590 -4.4541 -0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6470 -0.4707 -0.0644 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7032 -2.5523 -0.0855 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0367 -0.1896 0.0206 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2114 -1.6529 0.0048 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4120 3.0730 2.0719 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4888 3.6305 -0.0682 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3718 3.0965 -2.1936 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0724 3.1085 0.0085 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5979 3.0953 -0.0149 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6958 -4.7016 -0.9963 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7132 -4.7108 0.7836 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1129 -6.1296 -0.1079 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2350 -4.7938 0.8074 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2176 -4.7846 -0.9725 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 2 0 0 0 0 2 3 2 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 4 6 2 0 0 0 0 4 5 1 0 0 0 0 5 20 1 0 0 0 0 5 21 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 14 1 0 0 0 0 8 21 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 11 25 1 0 0 0 0 11 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 23 1 0 0 0 0 16 17 2 0 0 0 0 16 30 1 0 0 0 0 17 18 1 0 0 0 0 17 31 1 0 0 0 0 18 19 2 0 0 0 0 18 32 1 0 0 0 0 19 22 1 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 24 25 1 0 0 0 0 24 35 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 M END > (413) 9240345-4f > (413) src > (413) 77 > (413) -1 > (413) P > (413) src $$$$ Structure145 Wcorina 06010716263D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 77 80 0 0 0 0 0 0 0 0999 V2000 -0.0160 1.3271 0.0093 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1218 -0.7019 -0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3072 -0.0793 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3245 1.3404 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4525 -0.7633 -0.0347 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6197 -0.1520 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7140 1.2556 -0.0367 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7819 -0.9095 -0.0578 N 0 0 3 0 0 0 0 0 0 0 0 0 5.7091 -2.2552 -0.0635 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8382 -2.9911 -0.0779 N 0 0 3 0 0 0 0 0 0 0 0 0 4.6251 -2.8054 -0.0558 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2015 -0.6829 0.0099 N 0 0 3 0 0 0 0 0 0 0 0 0 6.0415 1.9160 -0.0462 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6796 2.2214 1.1549 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9151 2.8361 1.1399 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5203 3.1492 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8915 2.8489 -1.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6587 2.2286 -1.2563 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0992 2.0289 0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5553 2.0161 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9783 1.8956 -2.5591 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0214 1.8814 2.4672 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1719 -5.0410 -0.1005 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7591 -4.4540 -0.0842 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5919 0.2927 1.3697 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3903 -0.3773 0.0709 N 0 0 3 0 0 0 0 0 0 0 0 0 -8.5449 -1.2831 -0.1336 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6435 -0.6816 0.7779 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1256 -1.1245 0.0547 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9528 -0.1420 0.0488 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8557 -0.2119 1.9494 N 0 0 3 0 0 0 0 0 0 0 0 0 -3.6356 -0.9203 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4627 0.0622 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5669 0.8529 2.6692 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5569 3.1940 -2.5664 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6061 3.1674 2.4375 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6469 -0.4705 -0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7032 -2.5521 -0.0841 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2113 -1.6529 0.0048 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4872 3.6302 -0.0709 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0724 3.1086 0.0089 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5978 3.0953 -0.0163 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3562 2.7353 -2.8691 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7312 1.6998 -3.3226 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3553 1.0109 -2.4278 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3201 0.8792 2.7746 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3298 2.6011 3.2256 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9383 1.9181 2.3507 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7131 -4.7102 0.7859 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1130 -6.1294 -0.1052 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6960 -4.7017 -0.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2349 -4.7933 0.8093 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2179 -4.7848 -0.9706 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7617 0.0614 2.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6581 1.3707 1.2224 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8623 -1.2708 -1.1763 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2977 -2.2969 0.1814 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1424 0.1531 0.2856 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3628 -1.4450 1.0745 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0657 -1.7565 0.9408 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0827 -1.7469 -0.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0127 0.4900 -0.8373 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9956 0.4804 0.9426 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5756 -1.5522 0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5927 -1.5427 -0.8618 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5056 0.6847 0.9198 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5227 0.6942 -0.8601 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7982 1.6654 1.9804 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4923 0.4548 3.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9378 1.2288 3.4761 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1753 2.3573 -2.8914 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7953 3.3969 -3.3193 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1814 4.0775 -2.4341 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2303 2.3272 2.7416 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2283 4.0521 2.3023 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8594 3.3625 3.2073 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 2 0 0 0 0 2 3 2 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 4 6 2 0 0 0 0 4 5 1 0 0 0 0 5 20 1 0 0 0 0 5 21 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 14 1 0 0 0 0 8 21 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 11 25 1 0 0 0 0 11 39 1 0 0 0 0 13 34 1 0 0 0 0 13 40 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 23 1 0 0 0 0 16 17 2 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 18 19 2 0 0 0 0 18 36 1 0 0 0 0 19 22 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 27 1 0 0 0 0 26 32 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 28 1 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 29 32 1 0 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 30 31 1 0 0 0 0 30 61 1 0 0 0 0 30 62 1 0 0 0 0 31 33 1 0 0 0 0 31 63 1 0 0 0 0 31 64 1 0 0 0 0 32 35 1 0 0 0 0 33 34 1 0 0 0 0 33 65 1 0 0 0 0 33 66 1 0 0 0 0 34 67 1 0 0 0 0 34 68 1 0 0 0 0 35 69 1 0 0 0 0 35 70 1 0 0 0 0 35 71 1 0 0 0 0 36 72 1 0 0 0 0 36 73 1 0 0 0 0 36 74 1 0 0 0 0 37 75 1 0 0 0 0 37 76 1 0 0 0 0 37 77 1 0 0 0 0 M END > (1,110) 9240345-6e > (1,110) src > (1,110) 2200 > (1,110) 0 > (1,110) N > (1,110) src $$$$ Structure294 Wcorina 06010716263D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 54 57 0 0 0 0 0 0 0 0999 V2000 -0.0146 1.3788 -0.0398 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0047 -0.0052 -0.0604 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1989 -0.6954 -0.0809 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4061 -0.0051 -0.0812 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3998 1.4009 -0.0603 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1764 2.0954 -0.0394 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1579 3.5753 -0.0173 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2967 4.2662 -0.0169 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2817 5.5896 0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1465 6.2731 0.0218 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0232 5.6526 0.0227 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0562 4.2705 -0.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4839 6.2781 0.0026 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4908 7.6727 -0.0959 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4551 8.4127 0.5768 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4617 9.7908 0.4794 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5102 10.4365 -0.2868 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5440 9.7023 -0.9608 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5376 8.3195 -0.8706 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7244 -0.4047 -0.0985 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 0.6910 -0.0894 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8021 1.8132 -0.0664 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1820 -1.7961 -0.1225 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2093 -2.2991 -1.5672 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6873 -3.7523 -1.5924 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7135 -4.2353 -2.9795 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6086 10.3389 -1.7135 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 11.7652 -1.7663 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5418 12.2870 -0.4756 F 0 0 0 0 0 0 0 0 0 0 0 0 2.9149 12.1516 -2.2964 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5537 12.2990 -2.6547 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6819 11.9126 -2.1246 F 0 0 0 0 0 0 0 0 0 0 0 0 0.6229 13.6953 -2.7064 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9584 1.9037 -0.0284 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9269 -0.5515 -0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1963 -1.7753 -0.0965 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9420 6.2202 0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9969 3.7401 -0.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3209 5.7926 0.0712 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1997 7.9105 1.1765 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2119 10.3646 1.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5180 11.5140 -0.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7896 7.7464 -1.3982 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6212 0.6597 -0.0995 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1736 2.8273 -0.0543 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1840 -1.8564 0.3022 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5010 -2.4128 0.4641 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2073 -2.2388 -1.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8903 -1.6825 -2.1538 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6893 -3.8126 -1.1676 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0063 -4.3690 -1.0058 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2878 -3.6410 -3.5584 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0261 -5.1936 -3.0228 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6608 11.8924 -3.6604 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 3 4 2 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 5 6 2 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 16 17 2 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 18 27 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 21 22 2 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 54 1 0 0 0 0 M END > (282) 433 > (282) C23H21F4N5O > (282) 459.4454 > (282) c-src > (282) 9 > (282) POTENT AND SELECTIVE INHIBITORS OF THE ABL-KINASE: PHENYLAMINOPYRIMIDINE (PAP) DERIVATIVES Bioorganic & Medicinal Chemistry Letters, Vol. 7, No. 2, pp. 187-192, 1997 > (282) 1997 > (282) c-src > (282) 1 > (282) TRAIN > (282) 0.5 $$$$ Structure295 Wcorina 06010716263D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 43 46 0 0 0 0 0 0 0 0999 V2000 -0.0179 1.3278 -0.0183 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0009 -0.0046 -0.0181 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1501 -0.6618 -0.0201 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3142 -0.0289 -0.0220 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3717 1.2947 -0.0224 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1977 2.0227 -0.0208 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1352 -2.0471 -0.0198 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3323 -2.7591 -0.1406 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4947 -3.9654 0.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6778 -4.6688 0.4096 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7022 -4.1748 -0.3751 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5456 -2.9699 -1.0465 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3582 -2.2643 -0.9343 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7945 3.7103 -0.0278 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4670 3.4088 -0.0233 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3021 2.0609 -0.0221 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6515 1.4716 -0.0263 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1377 0.1654 -0.0269 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4867 -0.0571 -0.0308 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3757 1.0085 -0.0347 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9153 2.3070 -0.0342 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5461 2.5549 -0.0297 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5542 -2.4852 -1.8176 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7476 -3.2677 -1.8918 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2904 -3.4131 -0.6107 F 0 0 0 0 0 0 0 0 0 0 0 0 6.4462 -4.5291 -2.4165 F 0 0 0 0 0 0 0 0 0 0 0 0 7.7613 -2.5670 -2.7987 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0626 -1.3056 -2.2740 F 0 0 0 0 0 0 0 0 0 0 0 0 8.9296 -3.3331 -2.8714 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3266 1.7993 -0.0237 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2170 3.1026 -0.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2941 -2.5231 0.0643 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6958 -4.3534 1.1435 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8023 -5.6065 0.9308 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6261 -4.7266 -0.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2328 -1.3292 -1.4597 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1592 4.6092 -0.0257 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6655 4.1327 -0.0213 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4512 -0.6682 -0.0246 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8631 -1.0694 -0.0313 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4388 0.8180 -0.0385 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6148 3.1298 -0.0375 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3384 -2.4538 -3.7969 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 16 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 7 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 30 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 10 11 2 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 12 13 2 0 0 0 0 12 23 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 22 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 20 21 2 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 23 24 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 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 43 1 0 0 0 0 M END > (283) 440 > (283) C20H14F4N4O > (283) 402.3504 > (283) c-src > (283) 10 > (283) POTENT AND SELECTIVE INHIBITORS OF THE ABL-KINASE: PHENYLAMINOPYRIMIDINE (PAP) DERIVATIVES Bioorganic & Medicinal Chemistry Letters, Vol. 7, No. 2, pp. 187-192, 1997 > (283) 1997 > (283) c-src > (283) 1 > (283) TRAIN > (283) 2.2 $$$$ csChFnd70/05230809552D 29 32 0 0 0 0 0 0 0 0999 V2000 6.0621 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 4.1999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 6.3000 0.0000 N 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 7.2746 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4869 7.0000 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 10.9118 4.1999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4869 4.1999 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.6993 6.3000 0.0000 C 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 12.1240 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3365 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3365 8.3999 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 10.9118 8.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6993 9.0999 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 12.1240 4.9000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 4.1999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4869 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4247 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4247 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 0.0000 0.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 3 19 1 0 0 0 0 19 2 2 0 0 0 0 2 5 1 0 0 0 0 6 4 1 0 0 0 0 5 4 2 0 0 0 0 5 9 1 0 0 0 0 6 10 2 0 0 0 0 9 7 1 0 0 0 0 7 10 1 0 0 0 0 7 8 2 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 16 11 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 15 16 2 0 0 0 0 16 17 1 0 0 0 0 12 18 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 24 21 1 0 0 0 0 21 25 2 0 0 0 0 26 23 1 0 0 0 0 26 27 2 0 0 0 0 23 24 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 M END > (114) PD166326 > (114) Src > (114) 5.68 > (114) 344 > (114) 1 > (114) Src-P112 > (114) P $$$$ 6-arylpyrido[2,3-d]pyrimidine deriv. 33 csChFnd70/05230809552D 36 38 0 0 0 0 0 0 0 0999 V2000 10.0363 7.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8240 5.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8240 6.9999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0363 4.8999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2488 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2488 5.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4613 7.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6736 5.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6736 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4613 4.8999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.8861 7.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0985 9.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3110 9.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8861 9.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0985 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3110 7.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6736 9.7999 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 16.0985 5.6000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.6115 4.8999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3991 5.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0468 5.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0569 6.2275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7046 5.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7146 6.8550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3623 6.4925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0769 8.2073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4290 8.5698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8861 4.8999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.8861 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6736 2.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0985 2.8000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3109 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8861 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0985 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0985 0.0000 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 6 2 0 0 0 0 7 5 1 0 0 0 0 6 5 1 0 0 0 0 6 10 1 0 0 0 0 7 9 2 0 0 0 0 10 8 2 0 0 0 0 8 9 1 0 0 0 0 9 11 1 0 0 0 0 14 11 2 0 0 0 0 11 15 1 0 0 0 0 12 14 1 0 0 0 0 12 13 2 0 0 0 0 15 16 2 0 0 0 0 16 13 1 0 0 0 0 8 29 1 0 0 0 0 2 19 1 0 0 0 0 14 17 1 0 0 0 0 15 18 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 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 24 27 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 > (128) 6-arylpyrido[2,3-d]pyrimidine deriv. 33 > (128) Src > (128) 7.4 > (128) 358 > (128) 1 > (128) Src-P126 > (128) P $$$$ csChFnd70/05230809552D 30 33 0 0 0 0 0 0 0 0999 V2000 6.0621 8.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 5.5998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 7.6999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 7.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 6.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4869 8.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6993 6.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9118 5.5998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4869 5.5998 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.6993 7.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9118 8.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1240 7.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3365 8.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3365 9.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1240 10.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9118 9.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6993 10.4999 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 12.1240 6.3000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 6.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 5.5998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 3.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4247 3.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4247 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 1.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4869 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 1.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.0999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 3 19 1 0 0 0 0 19 2 2 0 0 0 0 2 5 1 0 0 0 0 6 4 1 0 0 0 0 5 4 2 0 0 0 0 5 9 1 0 0 0 0 6 10 2 0 0 0 0 9 7 1 0 0 0 0 7 10 1 0 0 0 0 7 8 2 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 16 11 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 15 16 2 0 0 0 0 16 17 1 0 0 0 0 12 18 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 22 21 1 0 0 0 0 21 23 2 0 0 0 0 26 25 1 0 0 0 0 26 24 2 0 0 0 0 25 22 2 0 0 0 0 23 24 1 0 0 0 0 24 28 1 0 0 0 0 28 30 1 0 0 0 0 28 29 2 0 0 0 0 M END > (141) 2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 70 > (141) Src > (141) 9 > (141) 371 > (141) 1 > (141) Src-P139 > (141) P $$$$ csChFnd70/05230809552D 35 38 0 0 0 0 0 0 0 0999 V2000 3.6374 12.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6374 9.6796 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 11.7797 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 11.7797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 10.3796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 12.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 10.3796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4870 9.6796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 9.6796 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.2746 11.7797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4870 12.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6993 11.7797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 12.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 13.8797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6993 14.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4870 13.8797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 14.5797 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.6993 10.3798 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 10.3796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 9.6796 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 8.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 8.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 7.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 6.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 5.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 4.0798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 3.3798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 1.9798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4149 0.9898 0.0000 N 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 1.0726 0.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7672 0.6275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7570 1.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 3 19 1 0 0 0 0 19 2 2 0 0 0 0 2 5 1 0 0 0 0 6 4 1 0 0 0 0 5 4 2 0 0 0 0 5 9 1 0 0 0 0 6 10 2 0 0 0 0 9 7 1 0 0 0 0 7 10 1 0 0 0 0 7 8 2 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 16 11 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 15 16 2 0 0 0 0 16 17 1 0 0 0 0 12 18 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 23 21 1 0 0 0 0 21 24 2 0 0 0 0 27 26 1 0 0 0 0 27 25 2 0 0 0 0 26 23 2 0 0 0 0 24 25 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 31 1 0 0 0 0 31 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 M END > (143) PD166285 > (143) Src > (143) 9 > (143) 373 > (143) 1 > (143) Src-P141 > (143) P $$$$ csChFnd70/05230809552D 27 30 0 0 0 0 0 0 0 0999 V2000 3.6374 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6374 4.1999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 6.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4870 4.1999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 4.1999 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.2746 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4870 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6993 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 8.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6993 9.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4870 8.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 9.0999 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.6993 4.9000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 4.1999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 3 19 1 0 0 0 0 19 2 2 0 0 0 0 2 5 1 0 0 0 0 6 4 1 0 0 0 0 5 4 2 0 0 0 0 5 9 1 0 0 0 0 6 10 2 0 0 0 0 9 7 1 0 0 0 0 7 10 1 0 0 0 0 7 8 2 0 0 0 0 9 21 1 0 0 0 0 10 11 1 0 0 0 0 16 11 1 0 0 0 0 12 11 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 12 18 1 0 0 0 0 19 20 1 0 0 0 0 20 22 1 0 0 0 0 24 22 1 0 0 0 0 22 25 2 0 0 0 0 27 23 1 0 0 0 0 27 26 2 0 0 0 0 23 24 2 0 0 0 0 25 26 1 0 0 0 0 M END > (152) 2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 42 > (152) Src > (152) 10 > (152) 382 > (152) 1 > (152) Src-P150 > (152) P $$$$ csChFnd70/05230809552D 31 34 0 0 0 0 0 0 0 0999 V2000 3.6374 10.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6374 8.0246 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 10.1247 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 10.1247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 8.7246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 10.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 8.7246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4870 8.0246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 8.0246 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.2746 10.1247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4870 10.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6993 10.1247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 10.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 12.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6993 12.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4870 12.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 12.9246 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.6993 8.7247 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 8.7246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 8.0246 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 6.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 5.9247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.9247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.5247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 4.5247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 6.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 3.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 2.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9124 1.2123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3124 1.2123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 3 19 1 0 0 0 0 19 2 2 0 0 0 0 2 5 1 0 0 0 0 6 4 1 0 0 0 0 5 4 2 0 0 0 0 5 9 1 0 0 0 0 6 10 2 0 0 0 0 9 7 1 0 0 0 0 7 10 1 0 0 0 0 7 8 2 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 16 11 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 15 16 2 0 0 0 0 16 17 1 0 0 0 0 12 18 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 22 21 1 0 0 0 0 21 23 2 0 0 0 0 27 25 1 0 0 0 0 27 24 2 0 0 0 0 25 22 2 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 29 30 2 0 0 0 0 29 31 1 0 0 0 0 M END > (165) 2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 71 > (165) Src > (165) 10 > (165) 395 > (165) 1 > (165) Src-P163 > (165) P $$$$ csChFnd70/05230809552D 28 31 0 0 0 0 0 0 0 0999 V2000 3.6374 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6374 4.1999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 6.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4870 4.1999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 4.1999 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.2746 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4870 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6993 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 8.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6993 9.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4870 8.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 9.0999 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.6993 4.9000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 4.1999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0521 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 3 19 1 0 0 0 0 19 2 2 0 0 0 0 2 5 1 0 0 0 0 6 4 1 0 0 0 0 5 4 2 0 0 0 0 5 9 1 0 0 0 0 6 10 2 0 0 0 0 9 7 1 0 0 0 0 7 10 1 0 0 0 0 7 8 2 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 16 11 1 0 0 0 0 12 11 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 12 18 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 23 21 1 0 0 0 0 21 24 2 0 0 0 0 26 22 1 0 0 0 0 26 25 2 0 0 0 0 22 23 2 0 0 0 0 24 25 1 0 0 0 0 27 28 1 0 0 0 0 M END > (174) 2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 43 > (174) Src > (174) 12 > (174) 404 > (174) 1 > (174) Src-P172 > (174) P $$$$ PD0180970 csChFnd70/05230809552D 29 32 0 0 0 0 0 0 0 0999 V2000 8.4842 8.4002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6967 10.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4842 9.8002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6967 7.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9091 8.4002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9091 9.8002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2717 10.5002 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.6967 6.3000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.2717 7.7002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0593 8.4002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2717 6.3002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4842 5.6002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0593 5.6002 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.0593 4.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2096 5.6000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2096 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.4951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0056 2.0951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2208 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4304 2.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 3.5048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6456 1.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2262 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8469 7.7002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8469 6.3002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6344 8.4002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4221 6.3002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6344 5.6002 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4221 7.7002 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9 1 1 0 0 0 0 3 1 2 0 0 0 0 1 4 1 0 0 0 0 2 3 1 0 0 0 0 2 6 2 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 4 8 1 0 0 0 0 3 7 1 0 0 0 0 11 9 1 0 0 0 0 10 9 2 0 0 0 0 10 24 1 0 0 0 0 25 13 1 0 0 0 0 13 11 1 0 0 0 0 11 12 2 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 16 21 2 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 21 1 0 0 0 0 20 22 1 0 0 0 0 19 23 1 0 0 0 0 26 24 1 0 0 0 0 24 25 2 0 0 0 0 28 25 1 0 0 0 0 26 29 2 0 0 0 0 29 27 1 0 0 0 0 27 28 2 0 0 0 0 15 27 1 0 0 0 0 M END > (217) PD180970 > (217) Src > (217) 16.8 > (217) 447 > (217) 1 > (217) Src-P215 > (217) P $$$$ 6-arylpyrido[2,3-d]pyrimidine deriv. 32 csChFnd70/05230809552D 34 36 0 0 0 0 0 0 0 0999 V2000 10.0363 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8240 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8240 6.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0363 4.1999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2488 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2488 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4613 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6736 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6736 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4613 4.1999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.8861 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0985 9.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3110 8.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8861 8.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0985 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3110 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6736 9.0999 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 16.0985 4.9000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.6115 4.1999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3991 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0468 4.5376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0569 5.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7046 5.1652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7146 6.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3623 5.7925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.4402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0769 7.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4290 7.8698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8861 4.1999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.8861 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6736 2.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0985 2.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.0985 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3109 0.0000 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 6 2 0 0 0 0 7 5 1 0 0 0 0 6 5 1 0 0 0 0 6 10 1 0 0 0 0 7 9 2 0 0 0 0 10 8 2 0 0 0 0 8 9 1 0 0 0 0 9 11 1 0 0 0 0 14 11 2 0 0 0 0 11 15 1 0 0 0 0 12 14 1 0 0 0 0 12 13 2 0 0 0 0 15 16 2 0 0 0 0 16 13 1 0 0 0 0 8 29 1 0 0 0 0 2 19 1 0 0 0 0 14 17 1 0 0 0 0 15 18 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 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 24 27 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 > (221) 6-arylpyrido[2,3-d]pyrimidine deriv. 32 > (221) Src > (221) 18 > (221) 451 > (221) 1 > (221) Src-P219 > (221) P $$$$ csChFnd70/05230809552D 29 32 0 0 0 0 0 0 0 0999 V2000 3.6374 9.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6374 6.5899 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 8.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 8.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 7.2898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 9.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 7.2898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4870 6.5899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 6.5899 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.2746 8.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4870 9.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6993 8.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 9.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 10.7899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6993 11.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4870 10.7899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 11.4899 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.6993 7.2900 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 7.2898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 6.5899 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 5.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 5.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 3.0899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 4.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.0899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 2.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 0.9900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2024 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 3 19 1 0 0 0 0 19 2 2 0 0 0 0 2 5 1 0 0 0 0 6 4 1 0 0 0 0 5 4 2 0 0 0 0 5 9 1 0 0 0 0 6 10 2 0 0 0 0 9 7 1 0 0 0 0 7 10 1 0 0 0 0 7 8 2 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 16 11 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 15 16 2 0 0 0 0 16 17 1 0 0 0 0 12 18 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 24 21 1 0 0 0 0 21 25 2 0 0 0 0 27 23 1 0 0 0 0 27 26 2 0 0 0 0 23 24 2 0 0 0 0 25 26 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 M END > (229) 2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 49 > (229) Src > (229) 20 > (229) 459 > (229) 1 > (229) Src-P227 > (229) P $$$$ csChFnd70/05230809552D 28 31 0 0 0 0 0 0 0 0999 V2000 4.8498 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 4.1999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 6.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0623 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0623 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4870 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6995 4.1999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 4.1999 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.4870 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6995 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 8.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 9.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6995 8.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4870 9.0999 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 4.9000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 4.1999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 3 19 1 0 0 0 0 19 2 2 0 0 0 0 2 5 1 0 0 0 0 6 4 1 0 0 0 0 5 4 2 0 0 0 0 5 9 1 0 0 0 0 6 10 2 0 0 0 0 9 7 1 0 0 0 0 7 10 1 0 0 0 0 7 8 2 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 16 11 1 0 0 0 0 12 11 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 12 18 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 24 21 1 0 0 0 0 21 25 2 0 0 0 0 26 23 1 0 0 0 0 26 27 2 0 0 0 0 23 24 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 M END > (235) 2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 50 > (235) Src > (235) 20 > (235) 465 > (235) 1 > (235) Src-P233 > (235) P $$$$ csChFnd70/05230809552D 31 34 0 0 0 0 0 0 0 0999 V2000 6.0623 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0623 4.1999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 6.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2747 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2747 4.8999 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 9.6995 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9119 4.1999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4870 4.1999 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.6995 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9119 7.0000 0.0000 C 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 13.3366 8.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 9.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9119 8.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6995 9.0999 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 4.9000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 4.1999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4870 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 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 1.2125 0.0000 0.0000 O 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 4.8498 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0623 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2745 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 3 19 1 0 0 0 0 19 2 2 0 0 0 0 2 5 1 0 0 0 0 6 4 1 0 0 0 0 5 4 2 0 0 0 0 5 9 1 0 0 0 0 6 10 2 0 0 0 0 9 7 1 0 0 0 0 7 10 1 0 0 0 0 7 8 2 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 16 11 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 15 16 2 0 0 0 0 16 17 1 0 0 0 0 12 18 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 23 21 1 0 0 0 0 21 24 2 0 0 0 0 26 29 1 0 0 0 0 26 25 2 0 0 0 0 29 23 2 0 0 0 0 24 25 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 M END > (236) 2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 54 > (236) Src > (236) 20 > (236) 466 > (236) 1 > (236) Src-P234 > (236) P $$$$ csChFnd70/05230809552D 33 36 0 0 0 0 0 0 0 0999 V2000 3.6374 13.0271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6374 10.2270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 12.3271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 12.3271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 10.9270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 13.0271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 10.9270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4870 10.2270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 10.2270 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.2746 12.3271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4870 13.0271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6993 12.3271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 13.0271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 14.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6993 15.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4870 14.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 15.1271 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.6993 10.9272 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 10.9270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 10.2270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 8.8271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 8.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 8.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.7271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 6.7271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 8.8271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 6.0271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 4.6272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9124 3.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 2.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5025 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2024 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5547 0.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 3 19 1 0 0 0 0 19 2 2 0 0 0 0 2 5 1 0 0 0 0 6 4 1 0 0 0 0 5 4 2 0 0 0 0 5 9 1 0 0 0 0 6 10 2 0 0 0 0 9 7 1 0 0 0 0 7 10 1 0 0 0 0 7 8 2 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 16 11 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 15 16 2 0 0 0 0 16 17 1 0 0 0 0 12 18 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 22 21 1 0 0 0 0 21 23 2 0 0 0 0 27 25 1 0 0 0 0 27 24 2 0 0 0 0 25 22 2 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 29 30 1 0 0 0 0 30 32 1 0 0 0 0 32 31 2 0 0 0 0 32 33 1 0 0 0 0 M END > (266) 2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 72 > (266) Src > (266) 32 > (266) 496 > (266) 1 > (266) Src-P264 > (266) P $$$$ 7e.mol csChFnd70/05210813072D 29 32 0 0 0 0 0 0 0 0999 V2000 4.5792 8.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 9.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 9.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 7.8818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 7.4490 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.2123 9.9818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 9.2818 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.8818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 7.1817 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 11.3769 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 11.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 6.1221 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2009 5.1356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8533 5.4968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5569 11.3323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9896 12.6639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0528 13.7043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6834 13.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2506 12.0817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8962 4.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9062 3.4235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2685 2.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6209 1.7089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6109 2.6988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2486 4.0511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5351 5.7612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9820 0.3611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3296 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3543 12.9539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 3 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 6 10 1 0 0 0 0 2 11 1 0 0 0 0 5 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 11 15 2 0 0 0 0 15 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 11 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 20 1 0 0 0 0 12 26 1 0 0 0 0 26 20 1 0 0 0 0 23 27 1 0 0 0 0 27 28 1 0 0 0 0 16 29 1 0 0 0 0 M END > (28) 7g > (28) PMID_11277535 > (28) 2001 > (28) SRC > (28) 42 > (28) 1 > (28) 26 > (28) SRC-P26 $$$$ csChFnd70/05230809552D 27 30 0 0 0 0 0 0 0 0999 V2000 3.6374 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6374 4.1999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 6.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4870 4.1999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 4.1999 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.2746 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4870 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6993 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 8.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6993 9.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4870 8.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 9.0999 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.6993 4.9000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 4.1999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 0.7000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 3 19 1 0 0 0 0 19 2 2 0 0 0 0 2 5 1 0 0 0 0 6 4 1 0 0 0 0 5 4 2 0 0 0 0 5 9 1 0 0 0 0 6 10 2 0 0 0 0 9 7 1 0 0 0 0 7 10 1 0 0 0 0 7 8 2 0 0 0 0 9 21 1 0 0 0 0 10 11 1 0 0 0 0 16 11 1 0 0 0 0 12 11 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 12 18 1 0 0 0 0 19 20 1 0 0 0 0 20 22 1 0 0 0 0 24 22 2 0 0 0 0 22 25 1 0 0 0 0 23 27 2 0 0 0 0 23 26 1 0 0 0 0 27 24 1 0 0 0 0 25 26 2 0 0 0 0 M END > (280) 2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 40 > (280) Src > (280) 38 > (280) 510 > (280) 1 > (280) Src-P278 > (280) P $$$$ 7g.mol csChFnd70/05210813072D 30 33 0 0 0 0 0 0 0 0999 V2000 4.5792 8.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 9.7142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 9.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 7.8817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 7.4491 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.2124 9.9817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 9.2817 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.8817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 7.1816 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9112 11.3768 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1876 11.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1876 6.1222 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2009 5.1355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8533 5.4967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5569 11.3324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9896 12.6638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0529 13.7043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6834 13.4133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2507 12.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8963 4.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9063 3.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2686 2.0710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6209 1.7087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6110 2.6986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2486 4.0510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5352 5.7611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9820 0.3611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3297 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3544 12.9539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7854 14.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 3 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 6 10 1 0 0 0 0 2 11 1 0 0 0 0 5 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 11 15 2 0 0 0 0 15 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 11 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 20 1 0 0 0 0 12 26 1 0 0 0 0 26 20 1 0 0 0 0 23 27 1 0 0 0 0 27 28 1 0 0 0 0 16 29 1 0 0 0 0 29 30 1 0 0 0 0 M END > (29) 7h > (29) PMID_11277535 > (29) 2001 > (29) SRC > (29) 1000 > (29) 1 > (29) 27 > (29) SRC-P27 $$$$ 7h.mol csChFnd70/05210813072D 21 24 0 0 0 0 0 0 0 0999 V2000 4.5793 4.7247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 5.8575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 5.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 4.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 3.5922 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.2125 6.1247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.4247 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 3.3247 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 7.5200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1876 7.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5569 7.4754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9896 8.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0527 9.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6834 9.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2507 8.2246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1876 2.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3646 1.1326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1876 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5191 0.4326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5191 1.8326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 3 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 6 10 1 0 0 0 0 2 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 5 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 17 1 0 0 0 0 M END > (30) 13a > (30) PMID_11277535 > (30) 2001 > (30) SRC > (30) 140 > (30) 1 > (30) 28 > (30) SRC-P28 $$$$ csChFnd70/05230809552D 28 31 0 0 0 0 0 0 0 0999 V2000 3.6374 8.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6374 5.5998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 7.6999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 7.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 6.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 8.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 6.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4870 5.5998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 5.5998 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.2746 7.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4870 8.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6993 7.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 8.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 9.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6993 10.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4870 9.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 10.4999 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.6993 6.3000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 6.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 5.5998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 3.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 1.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 3 19 1 0 0 0 0 19 2 2 0 0 0 0 2 5 1 0 0 0 0 6 4 1 0 0 0 0 5 4 2 0 0 0 0 5 9 1 0 0 0 0 6 10 2 0 0 0 0 9 7 1 0 0 0 0 7 10 1 0 0 0 0 7 8 2 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 16 11 1 0 0 0 0 12 11 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 12 18 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 22 21 1 0 0 0 0 21 23 2 0 0 0 0 27 26 1 0 0 0 0 27 24 2 0 0 0 0 26 22 2 0 0 0 0 23 24 1 0 0 0 0 27 28 1 0 0 0 0 M END > (299) 2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 46 > (299) Src > (299) 50 > (299) 529 > (299) 1 > (299) Src-P297 > (299) P $$$$ csChFnd70/05230809552D 29 32 0 0 0 0 0 0 0 0999 V2000 6.0621 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 4.1999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 6.3000 0.0000 N 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 7.2746 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4869 7.0000 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 10.9118 4.1999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4869 4.1999 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.6993 6.3000 0.0000 C 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 12.1240 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3365 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3365 8.3999 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 10.9118 8.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6993 9.0999 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 12.1240 4.9000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 4.1999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4869 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4247 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4247 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 0.0000 0.0000 O 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 3 2 0 0 0 0 1 4 1 0 0 0 0 3 19 1 0 0 0 0 19 2 2 0 0 0 0 2 5 1 0 0 0 0 6 4 1 0 0 0 0 5 4 2 0 0 0 0 5 9 1 0 0 0 0 6 10 2 0 0 0 0 9 7 1 0 0 0 0 7 10 1 0 0 0 0 7 8 2 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 16 11 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 15 16 2 0 0 0 0 16 17 1 0 0 0 0 12 18 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 25 21 1 0 0 0 0 21 26 2 0 0 0 0 24 23 1 0 0 0 0 24 27 2 0 0 0 0 23 25 2 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 M END > (301) 2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 48 > (301) Src > (301) 50 > (301) 531 > (301) 1 > (301) Src-P299 > (301) P $$$$ 13c.mol csChFnd70/05210813072D 23 26 0 0 0 0 0 0 0 0999 V2000 4.5793 4.7248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7565 5.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 5.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 4.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7565 3.5922 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.2125 6.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.4248 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 3.3247 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 7.5199 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1876 7.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5569 7.4754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9897 8.8069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0528 9.8473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6835 9.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2508 8.2246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1876 2.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3646 1.1326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1876 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5191 0.4326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5191 1.8326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4840 11.1742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8487 11.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 3 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 6 10 1 0 0 0 0 2 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 5 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 17 1 0 0 0 0 14 22 1 0 0 0 0 22 23 1 0 0 0 0 M END > (31) 13b > (31) PMID_11277535 > (31) 2001 > (31) SRC > (31) 80 > (31) 1 > (31) 29 > (31) SRC-P29 $$$$ csChFnd70/05230809552D 30 33 0 0 0 0 0 0 0 0999 V2000 4.8498 9.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 6.5899 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 8.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0623 8.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0623 7.2898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 9.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4870 7.2898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6995 6.5899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 6.5899 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.4870 8.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6995 9.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 8.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 9.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 10.7899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 11.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6995 10.7899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4870 11.4899 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 7.2900 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 7.2898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 6.5899 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 5.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 5.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 3.0899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 4.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 4.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 3.0899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 2.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 0.9900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4149 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 3 19 1 0 0 0 0 19 2 2 0 0 0 0 2 5 1 0 0 0 0 6 4 1 0 0 0 0 5 4 2 0 0 0 0 5 9 1 0 0 0 0 6 10 2 0 0 0 0 9 7 1 0 0 0 0 7 10 1 0 0 0 0 7 8 2 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 16 11 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 15 16 2 0 0 0 0 16 17 1 0 0 0 0 12 18 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 24 21 1 0 0 0 0 21 25 2 0 0 0 0 28 23 1 0 0 0 0 28 26 2 0 0 0 0 23 24 2 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 29 30 1 0 0 0 0 M END > (304) 2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 53 > (304) Src > (304) 50 > (304) 534 > (304) 1 > (304) Src-P302 > (304) P $$$$ csChFnd70/05230809552D 28 31 0 0 0 0 0 0 0 0999 V2000 3.6352 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6352 4.1999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4227 6.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8476 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8476 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0599 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2724 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4848 4.1999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0599 4.1999 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.2724 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4848 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6971 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9096 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9096 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6971 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4848 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2724 9.1000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.6971 4.9001 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.4227 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2102 4.1999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2102 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2189 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4291 0.7037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 2.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.0962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 0.6963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0599 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0499 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 3 19 1 0 0 0 0 19 2 2 0 0 0 0 2 5 1 0 0 0 0 6 4 1 0 0 0 0 5 4 2 0 0 0 0 5 9 1 0 0 0 0 6 10 2 0 0 0 0 9 7 1 0 0 0 0 7 10 1 0 0 0 0 7 8 2 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 16 11 1 0 0 0 0 12 11 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 12 18 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 24 21 1 0 0 0 0 21 25 2 0 0 0 0 22 23 1 0 0 0 0 22 26 2 0 0 0 0 23 24 2 0 0 0 0 25 26 1 0 0 0 0 27 28 1 0 0 0 0 M END > (308) 2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 39 > (308) Src > (308) 53 > (308) 538 > (308) 1 > (308) Src-P306 > (308) P $$$$ 6,7-dialkoxyquinoline-3-carbonitrile deriv. 20 csChFnd70/05230809552D 25 27 0 0 0 0 0 0 0 0999 V2000 6.2019 2.8001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4144 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9895 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9895 2.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7772 2.8001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5647 2.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5647 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7772 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2019 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4144 2.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3523 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3523 2.8001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6267 2.8001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8391 3.5001 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2019 4.2001 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4144 4.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6267 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4144 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6267 4.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8391 4.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8391 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0516 7.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.2019 7.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 10 2 0 0 0 0 3 9 1 0 0 0 0 9 2 2 0 0 0 0 2 10 1 0 0 0 0 8 3 2 0 0 0 0 4 3 1 0 0 0 0 5 4 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 1 15 1 0 0 0 0 10 13 1 0 0 0 0 6 12 1 0 0 0 0 7 11 1 0 0 0 0 11 22 1 0 0 0 0 12 21 1 0 0 0 0 13 14 3 0 0 0 0 15 16 1 0 0 0 0 18 16 1 0 0 0 0 16 19 2 0 0 0 0 17 18 2 0 0 0 0 17 23 1 0 0 0 0 19 20 1 0 0 0 0 20 23 2 0 0 0 0 23 24 1 0 0 0 0 18 25 1 0 0 0 0 M END > (310) 6,7-dialkoxyquinoline-3-carbonitrile deriv. 20 > (310) Src > (310) 53 > (310) 540 > (310) 1 > (310) Src-P308 > (310) P $$$$ 13a.mol csChFnd70/05210813072D 22 25 0 0 0 0 0 0 0 0999 V2000 4.5793 4.7248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 5.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 5.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 4.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 3.5920 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.2125 6.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.4248 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 3.3248 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 7.5199 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1876 7.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5569 7.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9897 8.8069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0528 9.8471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6835 9.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2507 8.2246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1876 2.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3646 1.1326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1876 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5191 0.4326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5191 1.8326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4840 11.1740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 3 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 6 10 1 0 0 0 0 2 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 5 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 17 1 0 0 0 0 14 22 1 0 0 0 0 M END > (32) 13c > (32) PMID_11277535 > (32) 2001 > (32) SRC > (32) 20 > (32) 1 > (32) 30 > (32) SRC-P30 $$$$ csChFnd70/05230809552D 33 36 0 0 0 0 0 0 0 0999 V2000 4.5690 14.8816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5690 12.0815 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3565 14.1816 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7815 14.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7815 12.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9938 14.8816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2062 12.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4187 12.0815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9938 12.0815 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.9938 10.6815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2062 14.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4187 14.8816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6309 14.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8434 14.8816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8434 16.2816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6309 16.9816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4187 16.2816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2062 16.9816 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.6309 12.7816 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3565 12.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1441 12.0815 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1441 10.6815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4441 9.4691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8064 8.1168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 6.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5748 5.5522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 3.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.4999 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 4.1999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 1.4000 0.0000 N 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 1 3 2 0 0 0 0 1 4 1 0 0 0 0 3 20 1 0 0 0 0 20 2 2 0 0 0 0 2 5 1 0 0 0 0 6 4 1 0 0 0 0 5 4 2 0 0 0 0 5 9 1 0 0 0 0 6 11 2 0 0 0 0 9 7 1 0 0 0 0 7 11 1 0 0 0 0 7 8 2 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 17 12 1 0 0 0 0 13 12 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 13 19 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 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 31 1 0 0 0 0 28 31 1 0 0 0 0 31 29 1 0 0 0 0 32 27 1 0 0 0 0 32 30 1 0 0 0 0 27 28 1 0 0 0 0 29 30 1 0 0 0 0 32 33 1 0 0 0 0 M END > (317) 2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 33 > (317) Src > (317) 60 > (317) 547 > (317) 1 > (317) Src-P315 > (317) P $$$$ csChFnd70/05230809552D 28 31 0 0 0 0 0 0 0 0999 V2000 3.6374 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6374 4.1999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 6.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4870 4.1999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 4.1999 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.2746 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4870 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6993 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 8.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6993 9.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4870 8.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 9.0999 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.6993 4.9000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 4.1999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6374 0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 3 19 1 0 0 0 0 19 2 2 0 0 0 0 2 5 1 0 0 0 0 6 4 1 0 0 0 0 5 4 2 0 0 0 0 5 9 1 0 0 0 0 6 10 2 0 0 0 0 9 7 1 0 0 0 0 7 10 1 0 0 0 0 7 8 2 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 16 11 1 0 0 0 0 12 11 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 12 18 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 22 21 1 0 0 0 0 21 23 2 0 0 0 0 26 27 1 0 0 0 0 26 24 2 0 0 0 0 27 22 2 0 0 0 0 23 24 1 0 0 0 0 27 28 1 0 0 0 0 M END > (318) 2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 45 > (318) Src > (318) 60 > (318) 548 > (318) 1 > (318) Src-P316 > (318) P $$$$ Indolin-2-one deriv. 9d csChFnd70/05230809552D 28 31 0 0 0 0 0 0 0 0999 V2000 3.6371 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6371 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8496 0.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8496 2.0470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1810 2.4796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0039 1.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1810 0.2143 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4039 1.3469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6138 3.8110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9832 4.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4157 5.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1158 3.2790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5929 6.5661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1622 7.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3394 8.9776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9470 8.8313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9089 10.2566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2483 4.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8157 5.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7525 6.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6178 3.8110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5545 4.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1218 6.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 4.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 9 1 0 0 0 0 5 6 1 0 0 0 0 7 6 1 0 0 0 0 7 8 1 0 0 0 0 9 8 1 0 0 0 0 8 10 2 0 0 0 0 7 11 2 0 0 0 0 11 12 1 0 0 0 0 13 12 2 0 0 0 0 14 12 1 0 0 0 0 14 20 1 0 0 0 0 21 13 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 19 1 0 0 0 0 17 18 2 0 0 0 0 20 23 1 0 0 0 0 20 21 2 0 0 0 0 22 21 1 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 2 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 M END > (319) Indolin-2-one deriv. 9d > (319) Src > (319) 60 > (319) 549 > (319) 1 > (319) Src-P317 > (319) P $$$$ 13e.mol csChFnd70/05210813072D 23 26 0 0 0 0 0 0 0 0999 V2000 4.5793 4.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 5.8574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 5.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 4.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 3.5921 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.2125 6.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.4249 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 3.3249 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 7.5199 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1874 7.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5569 7.4753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9896 8.8067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0527 9.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6833 9.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2507 8.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1874 2.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3646 1.1327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1874 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5190 0.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5190 1.8327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3541 9.0969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7853 10.4238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 3 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 6 10 1 0 0 0 0 2 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 5 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 17 1 0 0 0 0 13 22 1 0 0 0 0 22 23 1 0 0 0 0 M END > (33) 13d > (33) PMID_11277535 > (33) 2001 > (33) SRC > (33) 2 > (33) 1 > (33) 31 > (33) SRC-P31 $$$$ PD0173956 csChFnd70/05230809552D 28 31 0 0 0 0 0 0 0 0999 V2000 12.1245 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3370 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1245 5.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3370 3.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5493 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5493 5.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9120 6.3000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 13.3370 2.0998 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 1.3998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 1.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9120 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6995 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9120 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1245 1.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6995 1.4000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.6995 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0623 2.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4871 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4871 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2748 4.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0623 3.4998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2748 1.3998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.2000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 16 1 1 0 0 0 0 3 1 2 0 0 0 0 1 4 1 0 0 0 0 2 3 1 0 0 0 0 2 6 2 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 4 8 1 0 0 0 0 3 7 1 0 0 0 0 22 9 1 0 0 0 0 9 10 1 0 0 0 0 14 10 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 15 2 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 18 16 1 0 0 0 0 17 16 2 0 0 0 0 17 24 1 0 0 0 0 23 20 1 0 0 0 0 20 18 1 0 0 0 0 18 19 2 0 0 0 0 20 21 1 0 0 0 0 26 22 2 0 0 0 0 22 27 1 0 0 0 0 27 23 2 0 0 0 0 24 23 1 0 0 0 0 25 24 2 0 0 0 0 25 26 1 0 0 0 0 12 28 1 0 0 0 0 M END > (329) PD173956 > (329) Src > (329) 66.3 > (329) 559 > (329) 1 > (329) Src-P327 > (329) P $$$$ 13b.mol csChFnd70/05210813072D 22 25 0 0 0 0 0 0 0 0999 V2000 4.5791 4.7248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7563 5.8575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 5.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 4.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7563 3.5922 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.2123 6.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.4248 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 3.3248 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 7.5201 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 7.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5568 7.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9895 8.8069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0526 9.8473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6833 9.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2506 8.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 2.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3645 1.1326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5189 0.4326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5189 1.8326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3541 9.0969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 3 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 6 10 1 0 0 0 0 2 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 5 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 17 1 0 0 0 0 13 22 1 0 0 0 0 M END > (34) 13e > (34) PMID_11277535 > (34) 2001 > (34) SRC > (34) 1 > (34) 1 > (34) 32 > (34) SRC-P32 $$$$ csChFnd70/05230809552D 32 35 0 0 0 0 0 0 0 0999 V2000 4.1480 13.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1480 10.7207 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9355 12.8208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3605 12.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3605 11.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5727 13.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7852 11.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9976 10.7207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5727 10.7207 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.5727 9.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7852 12.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9976 13.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2099 12.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4224 13.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4224 14.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2099 15.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9976 14.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7852 15.6208 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.2099 11.4209 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.9355 11.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7231 10.7207 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7231 9.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0231 8.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3854 6.7560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7915 5.5437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5271 2.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4173 3.5887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1096 2.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3731 1.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3731 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1537 4.1914 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 3 20 1 0 0 0 0 20 2 2 0 0 0 0 2 5 1 0 0 0 0 6 4 1 0 0 0 0 5 4 2 0 0 0 0 5 9 1 0 0 0 0 6 11 2 0 0 0 0 9 7 1 0 0 0 0 7 11 1 0 0 0 0 7 8 2 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 17 12 1 0 0 0 0 13 12 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 13 19 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 24 1 0 0 0 0 24 25 1 0 0 0 0 25 32 1 0 0 0 0 27 32 1 0 0 0 0 32 28 1 0 0 0 0 30 26 1 0 0 0 0 30 29 1 0 0 0 0 26 27 1 0 0 0 0 28 29 1 0 0 0 0 30 31 1 0 0 0 0 M END > (334) 2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 32 > (334) Src > (334) 70 > (334) 564 > (334) 1 > (334) Src-P332 > (334) P $$$$ 6-arylpyrido[2,3-d]pyrimidine deriv. 13 csChFnd70/05230809552D 35 37 0 0 0 0 0 0 0 0999 V2000 9.3269 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1144 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5392 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5392 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7516 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9639 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9639 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1144 4.1999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3269 2.0999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7516 2.0999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1764 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3888 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1764 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3888 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6013 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6013 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9639 6.9999 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 15.3888 2.7999 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.9019 2.0999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6895 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4772 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2647 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0523 2.1001 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 2.4624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.6747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2350 0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5284 0.1763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1764 2.0999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1764 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9639 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3888 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.8136 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6011 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6011 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8136 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 3 2 0 0 0 0 8 2 2 0 0 0 0 2 9 1 0 0 0 0 9 4 2 0 0 0 0 5 3 1 0 0 0 0 4 3 1 0 0 0 0 4 10 1 0 0 0 0 5 7 2 0 0 0 0 10 6 2 0 0 0 0 6 7 1 0 0 0 0 7 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 14 18 1 0 0 0 0 13 17 1 0 0 0 0 2 19 1 0 0 0 0 6 28 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 23 1 0 0 0 0 23 24 1 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 26 27 1 0 0 0 0 28 29 1 0 0 0 0 29 31 1 0 0 0 0 29 30 2 0 0 0 0 31 34 1 0 0 0 0 32 34 1 0 0 0 0 34 33 1 0 0 0 0 34 35 1 0 0 0 0 M END > (335) 6-arylpyrido[2,3-d]pyrimidine deriv. 13 > (335) Src > (335) 73 > (335) 565 > (335) 1 > (335) Src-P333 > (335) P $$$$ csChFnd70/05230809552D 29 32 0 0 0 0 0 0 0 0999 V2000 3.6374 9.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6374 6.5899 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 8.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 8.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 7.2898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 9.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 7.2898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4870 6.5899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 6.5899 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.2746 8.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4870 9.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6993 8.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 9.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 10.7899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6993 11.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4870 10.7899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 11.4899 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.6993 7.2900 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 7.2898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 6.5899 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 5.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 5.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 4.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.0899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 3.0899 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 2.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 0.9900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2024 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 3 19 1 0 0 0 0 19 2 2 0 0 0 0 2 5 1 0 0 0 0 6 4 1 0 0 0 0 5 4 2 0 0 0 0 5 9 1 0 0 0 0 6 10 2 0 0 0 0 9 7 1 0 0 0 0 7 10 1 0 0 0 0 7 8 2 0 0 0 0 9 21 1 0 0 0 0 10 11 1 0 0 0 0 16 11 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 15 16 2 0 0 0 0 16 17 1 0 0 0 0 12 18 1 0 0 0 0 19 20 1 0 0 0 0 20 22 1 0 0 0 0 23 22 2 0 0 0 0 22 24 1 0 0 0 0 27 26 2 0 0 0 0 27 25 1 0 0 0 0 26 23 1 0 0 0 0 24 25 2 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 M END > (339) 2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 41 > (339) Src > (339) 77 > (339) 569 > (339) 1 > (339) Src-P337 > (339) P $$$$ 13m.mol csChFnd70/05210813072D 20 23 0 0 0 0 0 0 0 0999 V2000 4.5793 4.6140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7565 5.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 5.3139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 3.9139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7565 3.4812 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.2125 6.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.3139 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.9139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 3.2139 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 7.4091 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 7.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5569 7.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9895 8.6959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0528 9.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6833 9.4453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2508 8.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 2.1543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7549 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8875 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0202 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 3 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 6 10 1 0 0 0 0 2 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 5 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 17 20 1 0 0 0 0 M END > (35) 13f > (35) PMID_11277535 > (35) 2001 > (35) SRC > (35) 110 > (35) 1 > (35) 33 > (35) SRC-P33 $$$$ 13f.mol csChFnd70/05210813072D 21 24 0 0 0 0 0 0 0 0999 V2000 4.5793 4.6139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7565 5.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 5.3139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 3.9139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7565 3.4814 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.2125 6.0139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.3139 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.9139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 3.2139 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 7.4090 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 7.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5569 7.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9895 8.6960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0528 9.7364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6833 9.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2508 8.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 2.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7549 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8875 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0202 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4151 11.0888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 3 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 6 10 1 0 0 0 0 2 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 5 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 17 20 1 0 0 0 0 14 21 1 0 0 0 0 M END > (37) 13h > (37) PMID_11277535 > (37) 2001 > (37) SRC > (37) 10 > (37) 1 > (37) 35 > (37) SRC-P35 $$$$ 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 $$$$ 6-arylpyrido[2,3-d]pyrimidine deriv. 15 csChFnd70/05230809552D 27 29 0 0 0 0 0 0 0 0999 V2000 2.4249 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0619 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0619 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 4.1999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 2.0999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 2.0999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2744 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4869 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2744 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4869 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6993 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6993 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.0999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4869 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0619 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2744 2.0999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2744 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0619 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4869 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6992 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9116 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6992 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9116 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 3 2 0 0 0 0 8 2 2 0 0 0 0 2 9 1 0 0 0 0 9 4 2 0 0 0 0 5 3 1 0 0 0 0 4 3 1 0 0 0 0 4 10 1 0 0 0 0 5 7 2 0 0 0 0 10 6 2 0 0 0 0 6 7 1 0 0 0 0 7 11 1 0 0 0 0 13 11 1 0 0 0 0 11 14 2 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 14 18 1 0 0 0 0 13 19 1 0 0 0 0 2 17 1 0 0 0 0 6 20 1 0 0 0 0 20 21 1 0 0 0 0 21 23 1 0 0 0 0 21 22 2 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 M END > (366) PD089828 analog 15 > (366) Src > (366) 110 > (366) 596 > (366) 1 > (366) Src-P364 > (366) P $$$$ 13k.mol csChFnd70/05210813072D 22 25 0 0 0 0 0 0 0 0999 V2000 4.5794 4.6140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7565 5.7466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 5.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 3.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7565 3.4812 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.2125 6.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.3140 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 3.2140 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 7.4091 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 7.0735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5570 7.3647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9896 8.6961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0528 9.7366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6834 9.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2508 8.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 2.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7550 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8876 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3543 8.9862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7166 10.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 3 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 6 10 1 0 0 0 0 2 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 5 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 17 20 1 0 0 0 0 13 21 1 0 0 0 0 21 22 1 0 0 0 0 M END > (38) 13i > (38) PMID_11277535 > (38) 2001 > (38) SRC > (38) 40 > (38) 1 > (38) 36 > (38) SRC-P36 $$$$ 13g.mol csChFnd70/05210813072D 21 24 0 0 0 0 0 0 0 0999 V2000 4.5791 4.6140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7563 5.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 5.3139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 3.9139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7563 3.4812 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.2123 6.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.3139 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.9139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 3.2139 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 7.4091 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 7.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5568 7.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9895 8.6959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0526 9.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6833 9.4453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2506 8.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 2.1543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7547 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8875 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3540 8.9861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 3 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 6 10 1 0 0 0 0 2 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 5 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 17 20 1 0 0 0 0 13 21 1 0 0 0 0 M END > (39) 13k > (39) PMID_11277535 > (39) 2001 > (39) SRC > (39) 4 > (39) 1 > (39) 37 > (39) SRC-P37 $$$$ csChFnd70/05230809552D 31 34 0 0 0 0 0 0 0 0999 V2000 5.0711 12.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0711 9.2339 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8587 11.3340 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2836 11.3340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2836 9.9338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4959 12.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7083 9.9338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9208 9.2339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4959 9.2339 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.4959 7.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7083 11.3340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9208 12.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1331 11.3340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3455 12.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3455 13.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1331 14.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9208 13.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7083 14.1339 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 11.1331 9.9340 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.8587 9.9338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6462 9.2339 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6462 7.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9462 6.6214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3085 5.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3421 1.7146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3623 3.6946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7146 4.0569 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7046 3.0669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.3421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9900 1.3523 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6277 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 3 20 1 0 0 0 0 20 2 2 0 0 0 0 2 5 1 0 0 0 0 6 4 1 0 0 0 0 5 4 2 0 0 0 0 5 9 1 0 0 0 0 6 11 2 0 0 0 0 9 7 1 0 0 0 0 7 11 1 0 0 0 0 7 8 2 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 17 12 1 0 0 0 0 13 12 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 13 19 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 24 1 0 0 0 0 24 27 1 0 0 0 0 27 26 1 0 0 0 0 27 28 1 0 0 0 0 25 28 1 0 0 0 0 30 25 1 0 0 0 0 30 29 1 0 0 0 0 26 29 1 0 0 0 0 30 31 1 0 0 0 0 M END > (385) 2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 31 > (385) Src > (385) 150 > (385) 615 > (385) 1 > (385) Src-P383 > (385) P $$$$ 13d.mol csChFnd70/05210813072D 22 25 0 0 0 0 0 0 0 0999 V2000 4.5793 6.0516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 7.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 6.7516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 5.3516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 4.9189 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.2125 7.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.7516 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.3516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 4.6516 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 8.8467 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1876 8.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5569 8.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9897 10.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0528 11.1740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6835 10.8830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2507 9.5515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1876 3.5920 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3646 2.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1876 1.3269 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.5191 1.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5191 3.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 3 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 6 10 1 0 0 0 0 2 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 5 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 17 1 0 0 0 0 19 22 1 0 0 0 0 M END > (40) 13l > (40) PMID_11277535 > (40) 2001 > (40) SRC > (40) 50 > (40) 1 > (40) 38 > (40) SRC-P38 $$$$ 13l.mol csChFnd70/05210813072D 21 24 0 0 0 0 0 0 0 0999 V2000 4.5793 6.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7565 7.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 6.7090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 5.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7565 4.8765 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.2125 7.4091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.7090 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 4.6090 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 8.8043 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 8.4686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5570 8.7597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9895 10.0912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0528 11.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6833 10.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2508 9.5089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 3.5496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7549 2.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8875 1.3951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0203 2.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8875 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 3 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 6 10 1 0 0 0 0 2 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 5 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 17 20 1 0 0 0 0 M END > (41) 13m > (41) PMID_11277535 > (41) 2001 > (41) SRC > (41) 20 > (41) 1 > (41) 39 > (41) SRC-P39 $$$$ 13i.mol csChFnd70/05210813072D 24 27 0 0 0 0 0 0 0 0999 V2000 4.5793 6.7066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7565 7.8392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 7.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 6.0067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7565 5.5739 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.2125 8.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.4067 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.0067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 5.3066 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 9.5018 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 9.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5569 9.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9897 10.7888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0528 11.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6833 11.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2507 10.2065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 4.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7549 2.9156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8875 2.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0202 2.9156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3542 11.0788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7854 12.4056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8875 0.6976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0957 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 3 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 6 10 1 0 0 0 0 2 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 5 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 17 20 1 0 0 0 0 13 21 1 0 0 0 0 21 22 1 0 0 0 0 19 23 1 0 0 0 0 23 24 1 0 0 0 0 M END > (42) 13n > (42) PMID_11277535 > (42) 2001 > (42) SRC > (42) 30 > (42) 1 > (42) 40 > (42) SRC-P40 $$$$ csChFnd70/05230809552D 25 28 0 0 0 0 0 0 0 0999 V2000 2.4795 10.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4795 8.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6920 8.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9044 8.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6920 6.8808 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4795 6.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3470 7.0038 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2145 6.1809 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1001 4.8496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 4.8496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8001 3.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1001 2.4247 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.6372 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 2.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 3.6372 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 2.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 1.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2999 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9999 1.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2999 2.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3999 1.2124 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.6920 11.0809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9044 10.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1169 11.0809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23 1 2 0 0 0 0 23 24 1 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 24 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 9 6 1 0 0 0 0 7 6 2 0 0 0 0 7 8 1 0 0 0 0 8 10 1 0 0 0 0 11 9 1 0 0 0 0 13 10 1 0 0 0 0 13 14 2 0 0 0 0 14 12 1 0 0 0 0 12 11 2 0 0 0 0 10 9 2 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 21 16 2 0 0 0 0 17 16 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 24 25 1 0 0 0 0 M END > (413) 4-(Phenylamino)pyrazolo[3,4-d]pyrimidine deriv. 15 > (413) Src > (413) 220 > (413) 643 > (413) 1 > (413) Src-P411 > (413) P $$$$ 6-arylpyrido[2,3-d]pyrimidine deriv. 1 csChFnd70/05230809552D 27 29 0 0 0 0 0 0 0 0999 V2000 2.4249 7.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 5.5999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 6.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 5.5999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 7.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0619 5.5999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0619 6.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 6.9998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 4.8999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 4.8999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2744 4.8999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2744 3.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 2.7999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4869 2.7999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4869 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6993 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2744 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4869 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2744 7.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4869 9.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2744 9.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4869 6.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6993 7.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6993 9.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0619 9.7998 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.4869 5.5999 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.8999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 3 2 0 0 0 0 8 2 2 0 0 0 0 2 9 1 0 0 0 0 9 4 2 0 0 0 0 5 3 1 0 0 0 0 4 3 1 0 0 0 0 4 10 1 0 0 0 0 5 7 2 0 0 0 0 10 6 2 0 0 0 0 6 7 1 0 0 0 0 7 19 1 0 0 0 0 6 11 1 0 0 0 0 11 12 1 0 0 0 0 12 14 1 0 0 0 0 12 13 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 21 19 1 0 0 0 0 19 22 2 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 22 26 1 0 0 0 0 21 25 1 0 0 0 0 2 27 1 0 0 0 0 M END > (416) PD089828 > (416) Src > (416) 220 > (416) 646 > (416) 1 > (416) Src-P414 > (416) P $$$$ 13o.mol csChFnd70/05210813072D 27 30 0 0 0 0 0 0 0 0999 V2000 4.5794 10.1947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7565 11.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 10.8948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 9.4947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7565 9.0620 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.2125 11.5948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 10.8948 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 9.4947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 8.7947 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 12.9899 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 12.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5570 12.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9897 14.2767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0528 15.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6833 15.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2508 13.6947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 7.7351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7550 6.4037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8875 5.5808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0203 6.4037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3543 14.5669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7855 15.8938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8875 4.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0958 3.4880 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0958 2.0928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3041 1.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3041 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 3 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 6 10 1 0 0 0 0 2 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 5 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 17 20 1 0 0 0 0 13 21 1 0 0 0 0 21 22 1 0 0 0 0 19 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 M END > (43) 13p > (43) PMID_11277535 > (43) 2001 > (43) SRC > (43) 20 > (43) 1 > (43) 41 > (43) SRC-P41 $$$$ 4-Anilidoquinazoline deriv. 9a csChFnd70/05230809552D 24 26 0 0 0 0 0 0 0 0999 V2000 3.6372 2.8001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 2.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 2.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 2.8001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2744 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2744 2.1001 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 4.2001 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.2745 4.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4868 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2745 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4868 4.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6993 4.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6993 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 4.9001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 2.8001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0002 2.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 4.2001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 4.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 6 2 0 0 0 0 7 5 1 0 0 0 0 6 5 1 0 0 0 0 6 10 1 0 0 0 0 7 9 2 0 0 0 0 10 8 2 0 0 0 0 8 9 1 0 0 0 0 7 11 1 0 0 0 0 11 12 1 0 0 0 0 14 12 1 0 0 0 0 12 15 2 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 11 18 1 0 0 0 0 2 19 1 0 0 0 0 3 21 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 16 23 1 0 0 0 0 23 24 1 0 0 0 0 M END > (427) 4-Anilidoquinazoline deriv. 9a > (427) Src > (427) 253 > (427) 657 > (427) 1 > (427) Src-P425 > (427) P $$$$ csChFnd70/05230809552D 21 23 0 0 0 0 0 0 0 0999 V2000 2.4247 4.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4247 1.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 3.5001 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 3.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8495 4.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0619 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2744 1.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8495 1.4000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.8495 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0619 3.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2744 4.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4867 3.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6991 4.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6991 5.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4867 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2744 5.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0619 6.3000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.4867 2.1001 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 6 1 0 0 0 0 3 4 1 0 0 0 0 4 2 2 0 0 0 0 2 7 1 0 0 0 0 4 5 1 0 0 0 0 8 6 1 0 0 0 0 7 6 2 0 0 0 0 7 11 1 0 0 0 0 8 13 2 0 0 0 0 11 9 1 0 0 0 0 9 13 1 0 0 0 0 9 10 2 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 19 14 1 0 0 0 0 15 14 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 15 21 1 0 0 0 0 M END > (428) 2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 2 > (428) Src > (428) 260 > (428) 658 > (428) 1 > (428) Src-P426 > (428) P $$$$ 13n.mol csChFnd70/05210813072D 28 31 0 0 0 0 0 0 0 0999 V2000 4.5794 10.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7565 11.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 10.8949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 9.4948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7565 9.0621 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.2125 11.5949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 10.8949 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 9.4948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 8.7948 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 12.9900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 12.6543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5571 12.9454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9898 14.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0529 15.3173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6834 15.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2508 13.6948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 7.7352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7550 6.4037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8876 5.5808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0203 6.4037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3544 14.5671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7856 15.8940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8876 4.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6795 3.4881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0959 3.4881 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0959 2.0928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3041 1.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3041 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 3 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 6 10 1 0 0 0 0 2 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 5 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 17 20 1 0 0 0 0 13 21 1 0 0 0 0 21 22 1 0 0 0 0 19 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 M END > (44) 13o > (44) PMID_11277535 > (44) 2001 > (44) SRC > (44) 20 > (44) 1 > (44) 42 > (44) SRC-P42 $$$$ RPR-108518A csChFnd70/05230809552D 27 29 0 0 0 0 0 0 0 0999 V2000 3.7771 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5648 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5648 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7771 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3523 2.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1398 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3523 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9896 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9896 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2020 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4143 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4143 2.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2020 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2020 4.2000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4145 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6268 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4145 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6268 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8393 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8393 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6268 8.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8393 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0518 7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0518 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0518 4.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2641 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 9 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 10 2 0 0 0 0 2 5 1 0 0 0 0 3 7 1 0 0 0 0 5 6 1 0 0 0 0 7 8 1 0 0 0 0 11 9 1 0 0 0 0 10 9 1 0 0 0 0 10 14 1 0 0 0 0 11 13 2 0 0 0 0 14 12 2 0 0 0 0 12 13 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 18 16 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 21 2 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 17 22 1 0 0 0 0 21 24 1 0 0 0 0 20 26 1 0 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 26 27 1 0 0 0 0 M END > (432) RPR-108518A > (432) Src > (432) 280 > (432) 662 > (432) 1 > (432) Src-P430 > (432) P $$$$ csChFnd70/05230809552D 29 31 0 0 0 0 0 0 0 0999 V2000 4.9649 11.5795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9649 8.7794 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7524 10.8795 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1773 10.8795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1773 9.4794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3896 11.5795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6021 9.4794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8145 8.7794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3896 8.7794 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.3896 7.3794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6021 10.8795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8145 11.5795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0268 10.8795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2392 11.5795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2392 12.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0268 13.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8145 12.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6021 13.6794 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 11.0268 9.4795 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7524 9.4794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5399 8.7794 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5399 7.3794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8400 6.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5399 4.9545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8400 3.7421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2023 2.3898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.0999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 3 20 1 0 0 0 0 20 2 2 0 0 0 0 2 5 1 0 0 0 0 6 4 1 0 0 0 0 5 4 2 0 0 0 0 5 9 1 0 0 0 0 6 11 2 0 0 0 0 9 7 1 0 0 0 0 7 11 1 0 0 0 0 7 8 2 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 17 12 1 0 0 0 0 13 12 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 13 19 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 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 28 1 0 0 0 0 28 27 2 0 0 0 0 28 29 1 0 0 0 0 M END > (450) 2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 37 > (450) Src > (450) 370 > (450) 680 > (450) 1 > (450) Src-P448 > (450) P $$$$ 43.mol csChFnd70/05210813072D 22 24 0 0 0 0 0 0 0 0999 V2000 4.1999 1.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8999 2.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1999 3.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 3.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 2.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 1.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8999 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2999 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9999 1.2124 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2999 2.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0999 2.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3998 3.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9999 3.6373 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4998 2.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1998 3.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4998 4.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0999 4.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 4.8497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7001 4.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7001 2.4248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5997 3.6373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 2 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 10 1 0 0 0 0 11 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 4 18 1 0 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 21 5 1 0 0 0 0 15 22 1 0 0 0 0 M END > (46) 11 > (46) PMID_11401553 > (46) 2001 > (46) SRC > (46) 88 > (46) 1 > (46) 44 > (46) SRC-P44 $$$$ csChFnd70/05230809552D 25 28 0 0 0 0 0 0 0 0999 V2000 2.4795 10.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4795 8.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6920 8.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9044 8.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9044 10.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6920 6.8808 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4795 6.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3470 7.0038 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2145 6.1809 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1001 4.8496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 4.8496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8001 3.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1001 2.4247 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.6372 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 2.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 3.6372 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 2.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 1.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2999 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9999 1.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2999 2.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3999 1.2124 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.6920 11.0809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6920 12.4808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24 1 2 0 0 0 0 24 5 1 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 3 6 1 0 0 0 0 6 7 1 0 0 0 0 10 7 1 0 0 0 0 8 7 2 0 0 0 0 8 9 1 0 0 0 0 9 11 1 0 0 0 0 12 10 1 0 0 0 0 14 11 1 0 0 0 0 14 15 2 0 0 0 0 15 13 1 0 0 0 0 13 12 2 0 0 0 0 11 10 2 0 0 0 0 12 16 1 0 0 0 0 16 17 1 0 0 0 0 22 17 2 0 0 0 0 18 17 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 24 25 1 0 0 0 0 M END > (454) 4-(Phenylamino)pyrazolo[3,4-d]pyrimidine deriv. 13 > (454) Src > (454) 400 > (454) 684 > (454) 1 > (454) Src-P452 > (454) P $$$$ Structure4 csChFnd70/05230809552D 30 33 0 0 0 0 0 0 0 0999 V2000 1.2125 3.8854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.1854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 1.0852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 1.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 3.1854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5793 2.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 3.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 1.3527 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.1891 4.9494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5584 5.2404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 0.0212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9793 2.4852 0.0000 Se 0 0 0 0 0 0 0 0 0 0 0 0 7.3793 2.4852 0.0000 Se 0 0 0 0 0 0 0 0 0 0 0 0 8.7793 2.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9451 3.2602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0425 2.3909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5548 1.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4228 2.6247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4474 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8277 0.2338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3154 1.5461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1560 1.1370 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.2866 0.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7911 5.3590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0035 4.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9935 5.6490 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6312 7.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2522 5.9898 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2522 7.3898 0.0000 C 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 3 4 2 0 0 0 0 4 5 1 0 0 0 0 9 5 1 0 0 0 0 5 6 2 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 7 8 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 9 12 1 0 0 0 0 10 29 1 0 0 0 0 7 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 16 15 2 0 0 0 0 15 23 1 0 0 0 0 16 17 1 0 0 0 0 23 18 1 0 0 0 0 19 17 2 0 0 0 0 18 17 1 0 0 0 0 18 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 23 24 1 0 0 0 0 16 26 1 0 0 0 0 26 25 2 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 29 30 1 0 0 0 0 M END > (459) diselenobis(1H-indole) deriv. 23 > (459) Src > (459) 400 > (459) 689 > (459) 1 > (459) Src-P457 > (459) P $$$$ csChFnd70/05230809552D 24 27 0 0 0 0 0 0 0 0999 V2000 2.5327 5.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 6.7816 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2674 5.9586 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1002 4.6273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 4.6273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8002 3.4148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 2.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1002 2.2023 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.4148 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2002 3.4148 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1900 2.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2902 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5900 2.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4900 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1900 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5900 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6902 1.2125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.8642 6.3913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8145 7.7904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1008 5.7347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2874 6.4775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2377 7.8766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0011 8.5330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0011 9.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 1 2 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 6 4 1 0 0 0 0 5 4 2 0 0 0 0 5 9 1 0 0 0 0 6 8 2 0 0 0 0 9 7 2 0 0 0 0 7 8 1 0 0 0 0 6 10 1 0 0 0 0 10 11 1 0 0 0 0 13 11 2 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 16 2 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 12 17 1 0 0 0 0 1 18 1 0 0 0 0 19 18 1 0 0 0 0 18 20 2 0 0 0 0 23 19 2 0 0 0 0 23 22 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 23 24 1 0 0 0 0 M END > (47) 4-(Phenylamino)pyrazolo[3,4-d]pyrimidine deriv. 24 > (47) Src > (47) 2 > (47) 277 > (47) 1 > (47) Src-P45 > (47) P $$$$ csChFnd70/05230809552D 54 59 0 0 0 0 0 0 0 0999 V2000 1.2125 9.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 9.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.7347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 7.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 7.7347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 9.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 9.5673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 7.3022 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 8.4347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 8.4347 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.9692 7.4449 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.3692 7.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8018 6.1135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5018 8.2677 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2017 6.1135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6343 7.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9406 6.6957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0037 7.7361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1385 5.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5079 5.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1891 10.8989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4016 11.5988 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.6140 13.6988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4016 12.9989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4116 13.9888 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.0593 13.6266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7739 15.3411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6140 10.8989 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8263 11.5988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0388 10.8989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8263 12.9989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9864 16.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2345 15.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4077 16.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3329 17.5688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0850 18.2029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9115 17.4391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9789 4.9809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5484 3.7019 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.9406 3.5556 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 10.7636 4.6882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5101 2.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6872 1.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9024 2.1304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3331 2.7157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7254 2.5694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7254 1.1694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7356 0.1794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3833 0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0924 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5596 1.9306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4449 2.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1540 2.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9777 0.8471 0.0000 C 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 3 4 2 0 0 0 0 4 5 1 0 0 0 0 8 5 1 0 0 0 0 5 6 2 0 0 0 0 7 6 1 0 0 0 0 8 9 1 0 0 0 0 9 7 2 0 0 0 0 7 21 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 14 12 1 0 0 0 0 12 13 2 0 0 0 0 14 16 1 0 0 0 0 13 15 1 0 0 0 0 13 38 1 0 0 0 0 15 19 1 0 0 0 0 15 16 2 0 0 0 0 18 16 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 19 20 2 0 0 0 0 21 22 1 0 0 0 0 22 24 1 0 0 0 0 24 23 2 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 27 32 1 0 0 0 0 22 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 2 0 0 0 0 37 32 1 0 0 0 0 33 32 2 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 38 39 1 0 0 0 0 39 46 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 42 43 1 0 0 0 0 42 44 2 0 0 0 0 46 45 2 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 50 49 2 0 0 0 0 49 51 1 0 0 0 0 50 54 1 0 0 0 0 51 52 2 0 0 0 0 52 53 1 0 0 0 0 53 54 2 0 0 0 0 M END > (481) 1 H-indole-3-alkanamide deriv. 10p > (481) Src > (481) 500 > (481) 711 > (481) 1 > (481) Src-P479 > (481) P $$$$ csChFnd70/05230809552D 23 25 0 0 0 0 0 0 0 0999 V2000 3.6374 4.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6374 2.0999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 4.2001 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 4.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 4.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4870 2.0999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 2.0999 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.0621 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 4.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4870 4.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6993 4.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 4.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6993 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4870 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 7.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.6993 2.8001 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 2.0999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 3 20 1 0 0 0 0 20 2 2 0 0 0 0 2 5 1 0 0 0 0 6 4 1 0 0 0 0 5 4 2 0 0 0 0 5 9 1 0 0 0 0 6 11 2 0 0 0 0 9 7 1 0 0 0 0 7 11 1 0 0 0 0 7 8 2 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 17 12 1 0 0 0 0 13 12 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 13 19 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 M END > (496) 2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 22 > (496) Src > (496) 590 > (496) 726 > (496) 1 > (496) Src-P494 > (496) P $$$$ Structure6 csChFnd70/05230809552D 48 53 0 0 0 0 0 0 0 0999 V2000 2.0523 4.8353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8398 4.1353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8398 2.7353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0523 2.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 2.7353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 4.1353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4189 3.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5960 4.5678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5960 2.3026 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.0288 0.9712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8189 3.4353 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.5188 2.2228 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9188 2.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3516 3.5543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0516 1.4000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 10.0516 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5285 4.6868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1364 4.5405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1841 2.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7516 3.5543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4903 2.9722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0577 4.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6883 4.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5535 1.9318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3982 6.1903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0288 5.8993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0979 5.9658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3288 7.1118 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9764 7.4740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7640 6.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9764 8.8740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7640 9.5740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5517 8.8740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5517 7.4740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2750 7.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0626 6.3984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2750 8.4983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0626 9.1983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8502 8.4983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8502 7.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2555 5.9261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0523 6.2353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 6.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.3851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1643 7.8910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1923 6.9665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5617 6.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7595 8.2979 0.0000 O 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 3 4 2 0 0 0 0 4 5 1 0 0 0 0 9 5 1 0 0 0 0 5 6 2 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 7 8 2 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 7 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 14 13 2 0 0 0 0 15 13 1 0 0 0 0 15 19 1 0 0 0 0 20 14 1 0 0 0 0 15 16 1 0 0 0 0 14 17 1 0 0 0 0 17 18 2 0 0 0 0 19 24 1 0 0 0 0 19 20 2 0 0 0 0 23 20 1 0 0 0 0 21 22 1 0 0 0 0 21 24 2 0 0 0 0 22 23 2 0 0 0 0 1 42 1 0 0 0 0 26 25 2 0 0 0 0 26 28 1 0 0 0 0 17 27 1 0 0 0 0 27 35 1 0 0 0 0 28 29 1 0 0 0 0 30 29 2 0 0 0 0 29 31 1 0 0 0 0 30 34 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 36 35 2 0 0 0 0 35 37 1 0 0 0 0 36 40 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 23 41 1 0 0 0 0 41 46 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 43 45 2 0 0 0 0 46 48 2 0 0 0 0 46 47 1 0 0 0 0 M END > (506) dithiobis(1H-indole-3-carboxamide) deriv. 10e > (506) Src > (506) 650 > (506) 736 > (506) 1 > (506) Src-P504 > (506) 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 $$$$ csChFnd70/05230809552D 22 24 0 0 0 0 0 0 0 0999 V2000 2.4249 4.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 1.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 3.5001 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6374 3.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6374 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 4.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 1.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 1.4000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.8497 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 3.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 4.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4868 3.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6993 4.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6993 5.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4868 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 5.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 6.3000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.4868 2.1001 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 3 20 1 0 0 0 0 20 2 2 0 0 0 0 2 5 1 0 0 0 0 6 4 1 0 0 0 0 5 4 2 0 0 0 0 5 9 1 0 0 0 0 6 11 2 0 0 0 0 9 7 1 0 0 0 0 7 11 1 0 0 0 0 7 8 2 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 17 12 1 0 0 0 0 13 12 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 13 19 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 M END > (514) 2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 21 > (514) Src > (514) 750 > (514) 744 > (514) 1 > (514) Src-P512 > (514) P $$$$ csChFnd70/05230809552D 34 37 0 0 0 0 0 0 0 0999 V2000 1.2125 7.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 4.4401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 5.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 6.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 6.9726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 4.7075 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 5.8401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 5.8401 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.9692 4.8502 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.3692 4.8502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8018 3.5188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5018 5.6731 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2017 3.5188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6343 4.8502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9406 4.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0037 5.1414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1385 2.4784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5079 2.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1891 8.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4016 9.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9789 2.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5866 2.5325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6140 11.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4637 0.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4016 10.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4116 11.3942 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.7739 12.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0593 11.0319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7637 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6637 2.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3637 1.4000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.3637 0.0000 0.0000 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 3 4 2 0 0 0 0 4 5 1 0 0 0 0 8 5 1 0 0 0 0 5 6 2 0 0 0 0 7 6 1 0 0 0 0 8 9 1 0 0 0 0 9 7 2 0 0 0 0 7 21 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 14 12 1 0 0 0 0 12 13 2 0 0 0 0 14 16 1 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 15 19 1 0 0 0 0 15 16 2 0 0 0 0 18 16 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 19 20 2 0 0 0 0 21 22 1 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 24 31 1 0 0 0 0 27 25 2 0 0 0 0 27 28 1 0 0 0 0 31 26 2 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 31 33 1 0 0 0 0 33 32 1 0 0 0 0 33 34 1 0 0 0 0 M END > (515) 1 H-indole-3-alkanamide deriv. 10f > (515) Src > (515) 750 > (515) 745 > (515) 1 > (515) Src-P513 > (515) P $$$$ 6,7-dialkoxyquinoline-3-carbonitrile deriv. 11 csChFnd70/05230809552D 27 29 0 0 0 0 0 0 0 0999 V2000 6.2019 2.8001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4144 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9895 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9895 2.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7772 2.8001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5647 2.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5647 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7772 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2019 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4144 2.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3523 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3523 2.8001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6267 2.8001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8391 3.5001 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2019 4.2001 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4144 4.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6267 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4144 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6267 4.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8391 4.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8391 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6267 8.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8390 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0516 7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2639 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 10 2 0 0 0 0 3 9 1 0 0 0 0 9 2 2 0 0 0 0 2 10 1 0 0 0 0 8 3 2 0 0 0 0 4 3 1 0 0 0 0 5 4 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 1 15 1 0 0 0 0 10 13 1 0 0 0 0 6 12 1 0 0 0 0 7 11 1 0 0 0 0 11 22 1 0 0 0 0 12 21 1 0 0 0 0 13 14 3 0 0 0 0 15 16 1 0 0 0 0 18 16 1 0 0 0 0 16 19 2 0 0 0 0 17 18 2 0 0 0 0 17 23 1 0 0 0 0 19 20 1 0 0 0 0 20 23 2 0 0 0 0 17 24 1 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 26 27 1 0 0 0 0 M END > (535) 6,7-dialkoxyquinoline-3-carbonitrile deriv. 11 > (535) Src > (535) 950 > (535) 765 > (535) 1 > (535) Src-P533 > (535) P $$$$ csChFnd70/05230809552D 29 31 0 0 0 0 0 0 0 0999 V2000 5.6649 8.9671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6649 6.1670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4524 8.2671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8774 8.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8774 6.8670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0896 8.9671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3021 6.8670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5146 6.1670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0896 6.1670 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.0896 4.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3021 8.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5146 8.9671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7268 8.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9393 8.9671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9393 10.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7268 11.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5146 10.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3021 11.0670 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 11.7268 6.8671 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.4524 6.8670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2400 6.1670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2400 4.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5400 3.5546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9023 2.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2023 0.9900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1923 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5446 0.3623 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 0.0000 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 3 20 1 0 0 0 0 20 2 2 0 0 0 0 2 5 1 0 0 0 0 6 4 1 0 0 0 0 5 4 2 0 0 0 0 5 9 1 0 0 0 0 6 11 2 0 0 0 0 9 7 1 0 0 0 0 7 11 1 0 0 0 0 7 8 2 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 17 12 1 0 0 0 0 13 12 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 13 19 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 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 28 29 1 0 0 0 0 M END > (536) 2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 29 > (536) Src > (536) 960 > (536) 766 > (536) 1 > (536) Src-P534 > (536) P $$$$ csChFnd70/05230809552D 29 32 0 0 0 0 0 0 0 0999 V2000 6.0621 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 4.1999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 6.3000 0.0000 N 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 7.2746 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4869 7.0000 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 10.9118 4.1999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4869 4.1999 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.6993 6.3000 0.0000 C 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 12.1240 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3365 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3365 8.3999 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 10.9118 8.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6993 9.0999 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 12.1240 4.9000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 4.1999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4247 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4869 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4247 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 2.7999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 3 19 1 0 0 0 0 19 2 2 0 0 0 0 2 5 1 0 0 0 0 6 4 1 0 0 0 0 5 4 2 0 0 0 0 5 9 1 0 0 0 0 6 10 2 0 0 0 0 9 7 1 0 0 0 0 7 10 1 0 0 0 0 7 8 2 0 0 0 0 9 23 1 0 0 0 0 10 11 1 0 0 0 0 16 11 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 15 16 2 0 0 0 0 16 17 1 0 0 0 0 12 18 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 26 21 1 0 0 0 0 21 27 2 0 0 0 0 25 24 1 0 0 0 0 25 22 2 0 0 0 0 24 26 2 0 0 0 0 27 22 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 M END > (546) 2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 47 > (546) Src > (546) 1200 > (546) 776 > (546) 1 > (546) Src-P544 > (546) P $$$$ csChFnd70/05230809552D 34 37 0 0 0 0 0 0 0 0999 V2000 1.2125 7.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 4.4401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 5.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 6.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 6.9726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 4.7075 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 5.8401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 5.8401 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.9692 4.8502 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.3692 4.8502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8018 3.5188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5018 5.6731 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2018 3.5188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6343 4.8502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9407 4.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0038 5.1414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1385 2.4784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5079 2.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1891 8.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4016 9.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9789 2.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5866 2.5325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6141 11.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4637 0.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4016 10.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4116 11.3942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7637 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7739 12.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3637 1.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0114 1.7623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3637 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0593 11.0319 0.0000 C 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 3 4 2 0 0 0 0 4 5 1 0 0 0 0 8 5 1 0 0 0 0 5 6 2 0 0 0 0 7 6 1 0 0 0 0 8 9 1 0 0 0 0 9 7 2 0 0 0 0 7 21 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 14 12 1 0 0 0 0 12 13 2 0 0 0 0 14 16 1 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 15 19 1 0 0 0 0 15 16 2 0 0 0 0 18 16 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 19 20 2 0 0 0 0 21 22 1 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 24 29 1 0 0 0 0 27 25 2 0 0 0 0 27 28 1 0 0 0 0 29 26 2 0 0 0 0 28 34 1 0 0 0 0 29 31 1 0 0 0 0 31 33 1 0 0 0 0 28 30 1 0 0 0 0 31 32 1 0 0 0 0 M END > (547) 1 H-indole-3-alkanamide deriv. 10h > (547) Src > (547) 1200 > (547) 777 > (547) 1 > (547) Src-P545 > (547) P $$$$ csChFnd70/05230809552D 22 24 0 0 0 0 0 0 0 0999 V2000 2.4022 7.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6147 5.5997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6147 8.3999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4022 6.2997 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8271 7.7528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8271 6.3528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0394 8.4528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0394 5.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2519 7.7528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2519 6.3528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4643 8.4528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6767 7.7528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4643 5.6528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6767 6.3528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 4.1999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 3.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 3 5 1 0 0 0 0 1 4 1 0 0 0 0 4 2 2 0 0 0 0 2 6 1 0 0 0 0 7 5 2 0 0 0 0 6 5 1 0 0 0 0 6 8 2 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 10 9 2 0 0 0 0 9 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 2 15 1 0 0 0 0 15 16 1 0 0 0 0 21 16 2 0 0 0 0 17 16 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 M END > (556) PD153035 > (556) Src > (556) 1400 > (556) 786 > (556) 1 > (556) Src-P554 > (556) P $$$$ Structure7 csChFnd70/05230809552D 46 51 0 0 0 0 0 0 0 0999 V2000 1.3929 3.4849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1806 2.7849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1806 1.3849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3929 0.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6054 1.3849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6054 2.7849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7597 2.0849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9368 3.2175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9368 0.9522 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1597 2.0849 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.8596 0.8724 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.2597 0.8724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7511 2.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1497 2.1211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5227 0.7718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1318 3.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8778 0.4200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8600 1.4177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4870 2.7671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3547 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9793 3.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3695 4.5489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4328 5.5893 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8655 6.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2350 7.2118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0633 5.2984 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9288 7.9614 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3615 9.2928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 10.3332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 12.4332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 11.7332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 10.3332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 9.6332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 11.7332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6050 4.6037 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.8332 5.7718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0024 4.6880 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4403 5.9126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5576 6.9698 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8822 8.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6067 9.3941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8192 11.4943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6067 10.7943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8192 8.6941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0315 9.3941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0315 10.7943 0.0000 C 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 3 4 2 0 0 0 0 4 5 1 0 0 0 0 9 5 1 0 0 0 0 5 6 2 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 7 8 2 0 0 0 0 8 22 1 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 13 12 2 0 0 0 0 20 12 1 0 0 0 0 20 15 1 0 0 0 0 14 13 1 0 0 0 0 16 14 1 0 0 0 0 15 14 2 0 0 0 0 15 17 1 0 0 0 0 16 19 2 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 13 21 1 0 0 0 0 21 35 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 2 0 0 0 0 23 26 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 33 29 2 0 0 0 0 29 34 1 0 0 0 0 30 31 1 0 0 0 0 30 34 2 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 36 38 2 0 0 0 0 36 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 43 41 1 0 0 0 0 41 44 2 0 0 0 0 42 43 2 0 0 0 0 42 46 1 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 M END > (563) dithiobis(1H-indoles) deriv. 4 > (563) Src > (563) 1500 > (563) 793 > (563) 1 > (563) Src-P561 > (563) P $$$$ csChFnd70/05230809552D 52 57 0 0 0 0 0 0 0 0999 V2000 2.6910 11.3176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4786 10.6176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4786 9.2174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6910 8.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9035 9.2174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9035 10.6176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2350 11.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2350 8.7849 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0578 9.9174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4578 9.9174 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.4478 8.9276 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.8478 8.9276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2804 7.5961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9804 9.7504 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6804 7.5961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1130 8.9276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4193 8.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4824 9.2188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6171 6.5557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9866 6.8469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6677 12.3816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8802 13.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4575 6.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0652 6.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0926 15.1816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9423 4.2648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8802 14.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8902 15.4716 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.2423 5.4773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8423 5.4773 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.8423 4.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5379 15.1093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4900 5.8396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5002 4.8496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 3.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 2.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5002 2.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2002 3.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 4.8496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2525 16.8239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4650 17.5239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6773 16.8239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8897 17.5239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8897 18.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6773 19.6239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4650 18.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1022 19.6239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1022 21.0239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3145 18.9239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 1.2123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2123 0.0000 O 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 3 4 2 0 0 0 0 4 5 1 0 0 0 0 8 5 1 0 0 0 0 5 6 2 0 0 0 0 7 6 1 0 0 0 0 8 9 1 0 0 0 0 9 7 2 0 0 0 0 7 21 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 14 12 1 0 0 0 0 12 13 2 0 0 0 0 14 16 1 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 15 19 1 0 0 0 0 15 16 2 0 0 0 0 18 16 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 19 20 2 0 0 0 0 21 22 1 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 24 29 1 0 0 0 0 27 25 2 0 0 0 0 27 28 1 0 0 0 0 29 26 2 0 0 0 0 28 32 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 28 40 1 0 0 0 0 30 33 1 0 0 0 0 33 34 1 0 0 0 0 38 34 1 0 0 0 0 34 39 2 0 0 0 0 35 36 2 0 0 0 0 35 39 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 40 41 1 0 0 0 0 46 41 1 0 0 0 0 42 41 2 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 44 47 1 0 0 0 0 47 48 2 0 0 0 0 47 49 1 0 0 0 0 36 50 1 0 0 0 0 50 51 2 0 0 0 0 50 52 1 0 0 0 0 M END > (566) 1 H-indole-3-alkanamide deriv. 10l > (566) Src > (566) 1500 > (566) 796 > (566) 1 > (566) Src-P564 > (566) P $$$$ csChFnd70/05230809552D 30 33 0 0 0 0 0 0 0 0999 V2000 1.2125 7.0527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.9525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 4.2525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 4.9525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 6.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 6.7851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 4.5200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 5.6525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 5.6525 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.9692 4.6627 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.3692 4.6627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8017 3.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5018 5.4855 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2017 3.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6343 4.6627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9406 3.9135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0037 4.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1384 2.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5079 2.5821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1891 8.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4016 8.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9789 2.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5866 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6140 10.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4637 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4016 10.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4116 11.2066 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7637 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7208 0.3285 0.0000 N 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 3 4 2 0 0 0 0 4 5 1 0 0 0 0 8 5 1 0 0 0 0 5 6 2 0 0 0 0 7 6 1 0 0 0 0 8 9 1 0 0 0 0 9 7 2 0 0 0 0 7 21 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 14 12 1 0 0 0 0 12 13 2 0 0 0 0 14 16 1 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 15 19 1 0 0 0 0 15 16 2 0 0 0 0 18 16 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 19 20 2 0 0 0 0 21 22 1 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 24 29 1 0 0 0 0 27 25 2 0 0 0 0 27 28 1 0 0 0 0 29 26 2 0 0 0 0 29 30 1 0 0 0 0 M END > (567) 1 H-indole-3-alkanamide deriv. 10e > (567) Src > (567) 1500 > (567) 797 > (567) 1 > (567) Src-P565 > (567) P $$$$ Structure8 csChFnd70/05230809552D 42 45 0 0 0 0 0 0 0 0999 V2000 1.2125 7.9593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 5.1591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 5.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 7.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5793 6.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 7.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1891 9.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5584 9.3143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9793 6.5591 0.0000 Se 0 0 0 0 0 0 0 0 0 0 0 0 7.3793 6.5591 0.0000 Se 0 0 0 0 0 0 0 0 0 0 0 0 8.7793 6.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9451 7.3341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0425 6.4648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5548 5.1525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4228 6.6986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4474 4.0739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8277 4.3078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3154 5.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1560 5.2109 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.7911 9.4329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0035 8.7329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9935 9.7229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6312 11.0753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2522 10.0637 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6848 11.3951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 5.4266 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7564 4.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5439 3.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5439 1.9266 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8962 1.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8863 2.5541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3316 1.2266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6316 2.4391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2866 4.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8022 2.8119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9328 1.7146 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4484 0.4131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8334 0.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5805 1.3523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2182 0.0000 0.0000 C 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 3 4 2 0 0 0 0 4 5 1 0 0 0 0 28 5 1 0 0 0 0 5 6 2 0 0 0 0 8 6 1 0 0 0 0 28 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 9 26 1 0 0 0 0 7 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 14 13 2 0 0 0 0 13 21 1 0 0 0 0 14 15 1 0 0 0 0 21 16 1 0 0 0 0 17 15 2 0 0 0 0 16 15 1 0 0 0 0 16 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 14 23 1 0 0 0 0 23 22 2 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 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 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 21 36 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 38 41 1 0 0 0 0 39 40 1 0 0 0 0 41 42 1 0 0 0 0 M END > (575) diselenobis(1H-indole) deriv. 27 > (575) Src > (575) 1700 > (575) 805 > (575) 1 > (575) Src-P573 > (575) P $$$$ Structure9 csChFnd70/05230809552D 42 45 0 0 0 0 0 0 0 0999 V2000 1.7373 3.8854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5249 3.1853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5249 1.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7373 1.0852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9498 1.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9498 3.1853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1041 2.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2813 3.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2813 1.3526 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.7140 4.9493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0833 5.2404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7138 0.0212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5041 2.4852 0.0000 Se 0 0 0 0 0 0 0 0 0 0 0 0 7.9041 2.4852 0.0000 Se 0 0 0 0 0 0 0 0 0 0 0 0 9.3041 2.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4699 3.2602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5673 2.3908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0796 1.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9476 2.6247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9722 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3525 0.2338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8402 1.5461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6808 1.1370 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.8115 0.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3160 5.3590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5283 4.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5183 5.6490 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7771 5.9898 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7771 7.3898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5646 8.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5646 9.4897 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3523 10.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 9.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7771 10.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1560 7.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 7.9912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7837 9.3435 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7737 10.3335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4114 11.6858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7771 11.5897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4314 9.7059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4414 8.7159 0.0000 C 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 3 4 2 0 0 0 0 4 5 1 0 0 0 0 9 5 1 0 0 0 0 5 6 2 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 7 8 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 9 12 1 0 0 0 0 10 28 1 0 0 0 0 7 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 16 15 2 0 0 0 0 15 23 1 0 0 0 0 16 17 1 0 0 0 0 23 18 1 0 0 0 0 19 17 2 0 0 0 0 18 17 1 0 0 0 0 18 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 23 24 1 0 0 0 0 16 26 1 0 0 0 0 26 25 2 0 0 0 0 26 27 1 0 0 0 0 27 35 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 31 34 1 0 0 0 0 35 36 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 37 41 1 0 0 0 0 34 40 1 0 0 0 0 41 42 1 0 0 0 0 M END > (578) diselenobis(1H-indole) deriv. 24 > (578) Src > (578) 1800 > (578) 808 > (578) 1 > (578) Src-P576 > (578) P $$$$ csChFnd70/05230809552D 54 59 0 0 0 0 0 0 0 0999 V2000 3.3911 11.3176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1786 10.6176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1786 9.2174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3911 8.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6036 9.2174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6036 10.6176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9350 11.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9350 8.7849 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7578 9.9174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1578 9.9174 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.1479 8.9276 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.5479 8.9276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9804 7.5961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6804 9.7504 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3804 7.5961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8130 8.9276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1193 8.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1824 9.2188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3171 6.5557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6866 6.8469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3677 12.3816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5802 13.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1576 6.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7652 6.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7927 15.1816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6423 4.2648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5802 14.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5902 15.4716 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.9423 5.4773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5423 5.4773 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.5423 4.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2379 15.1093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1900 5.8396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2002 4.8496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 3.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 2.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2002 2.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9002 3.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 4.8496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9525 16.8239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1650 17.5239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3773 16.8239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5898 17.5239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5898 18.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3773 19.6239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1650 18.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8022 19.6239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8022 21.0239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0146 18.9239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0146 17.5239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 1.2123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 1.2123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.4248 0.0000 C 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 3 4 2 0 0 0 0 4 5 1 0 0 0 0 8 5 1 0 0 0 0 5 6 2 0 0 0 0 7 6 1 0 0 0 0 8 9 1 0 0 0 0 9 7 2 0 0 0 0 7 21 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 14 12 1 0 0 0 0 12 13 2 0 0 0 0 14 16 1 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 15 19 1 0 0 0 0 15 16 2 0 0 0 0 18 16 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 19 20 2 0 0 0 0 21 22 1 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 24 29 1 0 0 0 0 27 25 2 0 0 0 0 27 28 1 0 0 0 0 29 26 2 0 0 0 0 28 32 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 28 40 1 0 0 0 0 30 33 1 0 0 0 0 33 34 1 0 0 0 0 38 34 1 0 0 0 0 34 39 2 0 0 0 0 35 36 2 0 0 0 0 35 39 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 40 41 1 0 0 0 0 46 41 1 0 0 0 0 42 41 2 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 44 47 1 0 0 0 0 47 48 2 0 0 0 0 47 49 1 0 0 0 0 49 50 1 0 0 0 0 36 51 1 0 0 0 0 51 52 2 0 0 0 0 51 53 1 0 0 0 0 53 54 1 0 0 0 0 M END > (581) 1 H-indole-3-alkanamide deriv. 10k > (581) Src > (581) 1800 > (581) 811 > (581) 1 > (581) Src-P579 > (581) P $$$$ diselenobis(1H-indole) deriv. 33 csChFnd70/05230809552D 46 51 0 0 0 0 0 0 0 0999 V2000 1.2125 3.7189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.0189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 0.9189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 3.0189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 1.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 3.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5793 2.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 1.1863 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1889 4.7831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2522 5.8235 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8828 5.5324 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6848 7.1549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 7.4459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7481 8.1953 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1104 9.5476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4627 9.9099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6024 12.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4146 11.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6984 9.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8861 9.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8381 11.3924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 2.3189 0.0000 Se 0 0 0 0 0 0 0 0 0 0 0 0 7.3792 2.3189 0.0000 Se 0 0 0 0 0 0 0 0 0 0 0 0 8.7792 2.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9118 3.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9118 4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2118 0.9874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0445 2.3720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6118 1.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5487 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9181 0.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3507 1.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4138 2.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1243 5.2417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3367 4.5417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1243 6.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9118 7.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3367 7.3417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3367 8.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5491 9.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7615 11.5419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5491 10.8419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7615 8.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9740 9.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9740 10.8419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 6 1 0 0 0 0 7 5 1 0 0 0 0 6 5 2 0 0 0 0 6 9 1 0 0 0 0 7 8 2 0 0 0 0 9 8 1 0 0 0 0 8 23 1 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 11 13 1 0 0 0 0 11 12 1 1 0 0 0 13 15 1 0 0 0 0 13 14 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 19 17 1 0 0 0 0 17 20 2 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 26 25 2 0 0 0 0 25 28 1 0 0 0 0 26 29 1 0 0 0 0 28 30 1 0 0 0 0 26 27 1 0 0 0 0 27 35 1 0 0 0 0 34 29 1 0 0 0 0 30 29 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 35 37 1 0 0 0 0 35 36 1 6 0 0 0 37 39 1 0 0 0 0 37 38 2 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 43 41 1 0 0 0 0 41 44 2 0 0 0 0 42 43 2 0 0 0 0 42 46 1 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 M END > (583) diselenobis(1H-indole) deriv. 33 > (583) Src > (583) 2000 > (583) 813 > (583) 1 > (583) Src-P581 > (583) P $$$$ csChFnd70/05230809552D 15 16 0 0 0 0 0 0 0 0999 V2000 1.2124 2.8003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2128 0.8061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2128 2.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3672 1.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5443 2.6388 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5443 0.3735 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7673 1.5061 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9770 3.9704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0403 5.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4730 6.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8655 6.4887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7730 7.5548 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 9 5 1 0 0 0 0 5 6 2 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 7 8 1 0 0 0 0 7 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 15 1 0 0 0 0 13 14 2 0 0 0 0 M END > (587) 1 H-indole-3-alkanamide deriv. 11e > (587) Src > (587) 2000 > (587) 817 > (587) 1 > (587) Src-P585 > (587) P $$$$ csChFnd70/05230809552D 26 29 0 0 0 0 0 0 0 0999 V2000 2.4796 6.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3470 7.0040 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2145 6.1810 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1001 4.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 4.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8001 3.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1001 2.4248 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.6373 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 2.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2001 3.6373 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9001 2.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2001 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9001 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3000 2.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4000 1.2125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.8030 6.6378 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0691 8.0121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2814 8.7121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5678 10.7676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3313 10.1113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4682 7.9694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7048 8.6257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7547 10.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8915 7.8830 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4 1 1 0 0 0 0 2 1 2 0 0 0 0 2 3 1 0 0 0 0 3 5 1 0 0 0 0 6 4 1 0 0 0 0 8 5 1 0 0 0 0 8 9 2 0 0 0 0 9 7 1 0 0 0 0 7 6 2 0 0 0 0 5 4 2 0 0 0 0 6 10 1 0 0 0 0 10 11 1 0 0 0 0 16 11 2 0 0 0 0 12 11 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 1 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 22 20 1 0 0 0 0 20 23 2 0 0 0 0 21 22 2 0 0 0 0 21 25 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 M END > (589) 4-(Phenylamino)pyrazolo[3,4-d]pyrimidine deriv. 20 > (589) Src > (589) 2090 > (589) 819 > (589) 1 > (589) Src-P587 > (589) P $$$$ csChFnd70/05230809552D 24 27 0 0 0 0 0 0 0 0999 V2000 3.6920 11.0809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4795 10.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4795 8.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6920 8.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9044 8.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9044 10.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6920 6.8808 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4795 6.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3470 7.0038 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2145 6.1809 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1001 4.8496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 4.8496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8001 3.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1001 2.4247 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.6372 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 2.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 3.6372 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 2.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 1.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2999 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9999 1.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2999 2.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1169 11.0809 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 11 8 1 0 0 0 0 9 8 2 0 0 0 0 9 10 1 0 0 0 0 10 12 1 0 0 0 0 13 11 1 0 0 0 0 15 12 1 0 0 0 0 15 16 2 0 0 0 0 16 14 1 0 0 0 0 14 13 2 0 0 0 0 12 11 2 0 0 0 0 13 17 1 0 0 0 0 17 18 1 0 0 0 0 23 18 2 0 0 0 0 19 18 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 6 24 1 0 0 0 0 M END > (592) 4-(Phenylamino)pyrazolo[3,4-d]pyrimidine deriv. 8 > (592) Src > (592) 2250 > (592) 822 > (592) 1 > (592) Src-P590 > (592) P $$$$ csChFnd70/05230809552D 25 27 0 0 0 0 0 0 0 0999 V2000 2.4249 7.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 4.3022 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 6.4023 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6374 6.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6374 5.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 7.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 5.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 4.3022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 4.3022 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.8497 2.9022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 6.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 7.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4868 6.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6993 7.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6993 8.5023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4868 9.2022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 8.5023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 9.2022 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.4868 5.0023 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 5.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.3022 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.9022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 2.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5125 0.9898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5025 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 3 20 1 0 0 0 0 20 2 2 0 0 0 0 2 5 1 0 0 0 0 6 4 1 0 0 0 0 5 4 2 0 0 0 0 5 9 1 0 0 0 0 6 11 2 0 0 0 0 9 7 1 0 0 0 0 7 11 1 0 0 0 0 7 8 2 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 17 12 1 0 0 0 0 13 12 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 13 19 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 M END > (593) 2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 24 > (593) Src > (593) 2300 > (593) 823 > (593) 1 > (593) Src-P591 > (593) P $$$$ csChFnd70/05230809552D 25 28 0 0 0 0 0 0 0 0999 V2000 2.4795 10.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4795 8.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6920 8.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9044 8.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6920 6.8808 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4795 6.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3470 7.0038 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2145 6.1809 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1001 4.8496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 4.8496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8001 3.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1001 2.4247 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.6372 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 2.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 3.6372 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 2.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 1.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2999 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9999 1.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2999 2.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3999 1.2124 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.6920 11.0809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9044 10.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6920 12.4808 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23 1 2 0 0 0 0 23 24 1 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 24 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 9 6 1 0 0 0 0 7 6 2 0 0 0 0 7 8 1 0 0 0 0 8 10 1 0 0 0 0 11 9 1 0 0 0 0 13 10 1 0 0 0 0 13 14 2 0 0 0 0 14 12 1 0 0 0 0 12 11 2 0 0 0 0 10 9 2 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 21 16 2 0 0 0 0 17 16 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 23 25 1 0 0 0 0 M END > (595) 4-(Phenylamino)pyrazolo[3,4-d]pyrimidine deriv. 17 > (595) Src > (595) 2400 > (595) 825 > (595) 1 > (595) Src-P593 > (595) P $$$$ csChFnd70/05230809552D 28 31 0 0 0 0 0 0 0 0999 V2000 1.2125 3.8854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.1854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 1.0852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 1.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 3.1854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5793 2.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 3.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 1.3527 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.1891 4.9494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5584 5.2404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 0.0212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2522 5.9898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9793 2.4852 0.0000 Se 0 0 0 0 0 0 0 0 0 0 0 0 7.3793 2.4852 0.0000 Se 0 0 0 0 0 0 0 0 0 0 0 0 8.7793 2.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9451 3.2602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0425 2.3909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5548 1.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4228 2.6247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4474 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8277 0.2338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3154 1.5461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1560 1.1370 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.2866 0.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7911 5.3590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0035 4.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9935 5.6490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 9 5 1 0 0 0 0 5 6 2 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 7 8 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 7 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 17 16 2 0 0 0 0 16 24 1 0 0 0 0 17 18 1 0 0 0 0 24 19 1 0 0 0 0 20 18 2 0 0 0 0 19 18 1 0 0 0 0 19 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 24 25 1 0 0 0 0 17 27 1 0 0 0 0 27 26 2 0 0 0 0 27 28 1 0 0 0 0 M END > (596) diselenobis(1H-indole) deriv. 22 > (596) Src > (596) 2400 > (596) 826 > (596) 1 > (596) Src-P594 > (596) P $$$$ csChFnd70/05230809552D 26 29 0 0 0 0 0 0 0 0999 V2000 1.2125 7.3453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.2451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 4.5451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 5.2451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 6.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 7.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 4.8126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1891 8.4093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5793 5.9451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9793 5.9451 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.9693 4.9553 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.3693 4.9553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8018 3.6239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5018 5.7781 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2018 3.6239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6344 4.9553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9408 4.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0038 5.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1386 2.5835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5080 2.8746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2522 9.4497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2622 10.4397 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9790 2.4913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5485 1.2123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2485 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 8 5 1 0 0 0 0 5 6 2 0 0 0 0 7 6 1 0 0 0 0 8 10 1 0 0 0 0 10 7 2 0 0 0 0 7 9 1 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 15 13 1 0 0 0 0 13 14 2 0 0 0 0 15 17 1 0 0 0 0 14 16 1 0 0 0 0 14 24 1 0 0 0 0 16 20 1 0 0 0 0 16 17 2 0 0 0 0 19 17 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 20 21 2 0 0 0 0 22 23 3 0 0 0 0 24 25 1 0 0 0 0 25 26 3 0 0 0 0 M END > (598) 1 H-indole-3-alkanamide deriv. 10b > (598) Src > (598) 2500 > (598) 828 > (598) 1 > (598) Src-P596 > (598) P $$$$ Structure10 csChFnd70/05230809552D 28 31 0 0 0 0 0 0 0 0999 V2000 1.2125 3.8854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.1854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 1.0852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 1.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 3.1854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5793 2.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 3.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 1.3527 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1891 4.9494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5584 5.2404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9793 2.4852 0.0000 Se 0 0 0 0 0 0 0 0 0 0 0 0 7.3793 2.4852 0.0000 Se 0 0 0 0 0 0 0 0 0 0 0 0 8.7793 2.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9451 3.2602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0425 2.3909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5548 1.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4228 2.6247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4474 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8277 0.2338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3154 1.5461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1560 1.1370 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7911 5.3590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0035 4.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2522 5.9898 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6848 7.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9935 5.6490 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6312 7.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 9 5 1 0 0 0 0 5 6 2 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 7 8 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 25 1 0 0 0 0 7 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 15 14 2 0 0 0 0 14 22 1 0 0 0 0 15 16 1 0 0 0 0 22 17 1 0 0 0 0 18 16 2 0 0 0 0 17 16 1 0 0 0 0 17 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 15 24 1 0 0 0 0 24 23 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 27 28 1 0 0 0 0 M END > (603) diselenobis(1H-indole) deriv. 25 > (603) Src > (603) 2800 > (603) 833 > (603) 1 > (603) Src-P601 > (603) P $$$$ csChFnd70/05230809552D 36 39 0 0 0 0 0 0 0 0999 V2000 1.2125 7.2403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.5403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 4.4401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 5.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 6.5403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 6.9727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 4.7075 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5793 5.8401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9793 5.8401 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.9693 4.8503 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.3693 4.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8018 3.5188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5018 5.6731 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2018 3.5188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6344 4.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9408 4.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0038 5.1415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1386 2.4784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5080 2.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1891 8.3043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4016 9.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9790 2.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5866 2.5325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6141 11.1043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4638 0.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4016 10.4043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4116 11.3943 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.0593 11.0320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7638 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3638 1.4000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.3638 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7739 12.7466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7839 13.7364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6638 2.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2638 2.6125 0.0000 C 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 3 4 2 0 0 0 0 4 5 1 0 0 0 0 8 5 1 0 0 0 0 5 6 2 0 0 0 0 7 6 1 0 0 0 0 8 9 1 0 0 0 0 9 7 2 0 0 0 0 7 21 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 14 12 1 0 0 0 0 12 13 2 0 0 0 0 14 16 1 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 15 19 1 0 0 0 0 15 16 2 0 0 0 0 18 16 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 19 20 2 0 0 0 0 21 22 1 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 24 30 1 0 0 0 0 27 25 2 0 0 0 0 27 28 1 0 0 0 0 30 26 2 0 0 0 0 28 33 1 0 0 0 0 28 29 1 0 0 0 0 30 31 1 0 0 0 0 31 35 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 M END > (604) 1 H-indole-3-alkanamide deriv. 10g > (604) Src > (604) 2900 > (604) 834 > (604) 1 > (604) Src-P602 > (604) P $$$$ csChFnd70/05230809552D 46 51 0 0 0 0 0 0 0 0999 V2000 1.2910 8.8928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0786 8.1927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0786 6.7926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2910 6.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5035 6.7926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5035 8.1927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8350 8.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8350 6.3600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6578 7.4926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0578 7.4926 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.0478 6.5028 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.4478 6.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8804 5.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5804 7.3256 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2803 5.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7129 6.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0193 5.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0823 6.7940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2171 4.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5865 4.4221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2677 9.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4802 10.6567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0575 4.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6652 4.1850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6926 12.7567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5423 1.8400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4802 12.0567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4902 13.0467 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.8423 3.0525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4423 3.0525 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.4423 1.6525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1379 12.6844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0900 3.4148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1002 2.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1002 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8002 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 2.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8525 14.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0650 15.0991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2772 14.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4897 15.0991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4897 16.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2772 17.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0650 16.4990 0.0000 C 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 3 4 2 0 0 0 0 4 5 1 0 0 0 0 8 5 1 0 0 0 0 5 6 2 0 0 0 0 7 6 1 0 0 0 0 8 9 1 0 0 0 0 9 7 2 0 0 0 0 7 21 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 14 12 1 0 0 0 0 12 13 2 0 0 0 0 14 16 1 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 15 19 1 0 0 0 0 15 16 2 0 0 0 0 18 16 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 19 20 2 0 0 0 0 21 22 1 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 24 29 1 0 0 0 0 27 25 2 0 0 0 0 27 28 1 0 0 0 0 29 26 2 0 0 0 0 28 32 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 28 40 1 0 0 0 0 30 33 1 0 0 0 0 33 34 1 0 0 0 0 38 34 1 0 0 0 0 34 39 2 0 0 0 0 35 36 2 0 0 0 0 35 39 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 40 41 1 0 0 0 0 46 41 1 0 0 0 0 42 41 2 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 M END > (605) 1 H-indole-3-alkanamide deriv. 10j > (605) Src > (605) 2900 > (605) 835 > (605) 1 > (605) Src-P603 > (605) P $$$$ Structure11 csChFnd70/05230809552D 40 45 0 0 0 0 0 0 0 0999 V2000 1.2125 4.8353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.1353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.7353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 2.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 2.7353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 4.1353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5791 3.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7562 4.5679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1889 5.8993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2522 6.9397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5584 6.1903 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9911 7.5218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9911 10.3217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7786 9.6217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7786 8.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2034 8.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2034 9.6217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7562 2.3026 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.1889 0.9712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9791 3.4353 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6790 2.2228 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0790 2.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5117 3.5543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2118 1.4000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.2118 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6887 4.6868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2966 4.5405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2582 5.9658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6506 6.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7955 8.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6060 7.5116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8846 5.4511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0742 6.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0295 7.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3443 2.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9118 3.5543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6505 2.9722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2179 4.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8485 4.5947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7137 1.9318 0.0000 C 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 3 4 2 0 0 0 0 4 5 1 0 0 0 0 18 5 1 0 0 0 0 5 6 2 0 0 0 0 8 6 1 0 0 0 0 18 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 9 11 1 0 0 0 0 11 12 1 0 0 0 0 15 12 2 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 16 17 2 0 0 0 0 18 19 1 0 0 0 0 7 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 23 22 2 0 0 0 0 24 22 1 0 0 0 0 24 35 1 0 0 0 0 36 23 1 0 0 0 0 24 25 1 0 0 0 0 23 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 31 29 2 0 0 0 0 29 32 1 0 0 0 0 30 31 1 0 0 0 0 30 34 2 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 35 40 1 0 0 0 0 35 36 2 0 0 0 0 39 36 1 0 0 0 0 37 38 1 0 0 0 0 37 40 2 0 0 0 0 38 39 2 0 0 0 0 M END > (609) dithiobis(1H-indole-3-carboxamide) deriv. 10a > (609) Src > (609) 3200 > (609) 839 > (609) 1 > (609) Src-P607 > (609) P $$$$ Structure13 csChFnd70/05230809552D 32 35 0 0 0 0 0 0 0 0999 V2000 1.2125 4.9843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 2.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 2.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5791 3.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7562 4.7169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 4.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7562 2.4516 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9791 3.5844 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 6.0483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2523 7.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6850 8.4202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7482 9.4608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6791 2.3719 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0791 2.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2117 3.1947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5117 1.0404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2117 4.5947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4242 5.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4242 6.6947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2117 7.3947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9117 1.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3444 2.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6506 1.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7139 2.6631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8486 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2181 0.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0544 8.7112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4872 10.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6367 7.3947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6367 8.7947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 8 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 9 5 1 0 0 0 0 9 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 5 8 2 0 0 0 0 7 11 1 0 0 0 0 6 10 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 29 1 0 0 0 0 15 16 1 0 0 0 0 17 16 2 0 0 0 0 16 18 1 0 0 0 0 17 24 1 0 0 0 0 18 23 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 31 1 0 0 0 0 21 22 2 0 0 0 0 23 27 2 0 0 0 0 23 24 1 0 0 0 0 26 24 2 0 0 0 0 25 26 1 0 0 0 0 25 28 2 0 0 0 0 27 28 1 0 0 0 0 29 30 1 0 0 0 0 31 32 1 0 0 0 0 M END > (614) dithiobis(1H-indole-3-alkanoic acid) deriv. 29 > (614) Src > (614) 3500 > (614) 844 > (614) 1 > (614) Src-P612 > (614) P $$$$ Structure14 csChFnd70/05230809552D 40 43 0 0 0 0 0 0 0 0999 V2000 1.2125 3.8854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.1854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 1.0852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 1.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 3.1854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5793 2.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 3.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 1.3527 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1891 4.9494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5584 5.2404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9793 2.4852 0.0000 Se 0 0 0 0 0 0 0 0 0 0 0 0 7.3793 2.4852 0.0000 Se 0 0 0 0 0 0 0 0 0 0 0 0 8.7793 2.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9451 3.2602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0425 2.3909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5548 1.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4228 2.6247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4474 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8277 0.2338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3154 1.5461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1560 1.1370 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7911 5.3590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0035 4.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2522 5.9898 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9935 5.6490 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6848 7.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7479 8.3616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6312 7.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6212 7.9912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2489 10.3335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8866 11.6858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2589 9.3435 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8589 9.3435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1589 8.1312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5328 10.0554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8953 11.4077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1806 9.6931 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8283 10.0554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8383 9.0656 0.0000 C 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 3 4 2 0 0 0 0 4 5 1 0 0 0 0 9 5 1 0 0 0 0 5 6 2 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 7 8 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 25 1 0 0 0 0 7 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 15 14 2 0 0 0 0 14 22 1 0 0 0 0 15 16 1 0 0 0 0 22 17 1 0 0 0 0 18 16 2 0 0 0 0 17 16 1 0 0 0 0 17 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 15 24 1 0 0 0 0 24 23 2 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 28 38 1 0 0 0 0 29 30 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 33 34 1 0 0 0 0 34 35 1 0 0 0 0 38 36 1 0 0 0 0 36 37 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 M END > (615) diselenobis(1H-indole) deriv. 26 > (615) Src > (615) 3600 > (615) 845 > (615) 1 > (615) Src-P613 > (615) P $$$$ Structure15 csChFnd70/05230809552D 44 49 0 0 0 0 0 0 0 0999 V2000 2.4249 4.8353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 4.1353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 2.7353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 2.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 2.7353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 4.1353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7915 3.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9687 4.5678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9687 2.3026 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.4014 0.9711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1915 3.4353 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.8915 2.2228 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.2915 2.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7242 3.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4242 1.4000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 10.4242 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9012 4.6868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5090 4.5405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5567 2.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1242 3.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8629 2.9722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4304 4.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0609 4.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9262 1.9318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7708 6.1903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4014 5.8993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4705 5.9658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7014 7.1117 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6477 7.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4352 6.3983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6477 8.4983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4352 9.1983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2229 8.4983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2229 7.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3491 7.4740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0491 8.6865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3491 9.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9491 9.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2491 8.6865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9491 7.4740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.0353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2323 2.6812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6649 1.3496 0.0000 C 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 3 4 2 0 0 0 0 4 5 1 0 0 0 0 9 5 1 0 0 0 0 5 6 2 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 7 8 2 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 7 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 14 13 2 0 0 0 0 15 13 1 0 0 0 0 15 19 1 0 0 0 0 20 14 1 0 0 0 0 15 16 1 0 0 0 0 14 17 1 0 0 0 0 17 18 2 0 0 0 0 19 24 1 0 0 0 0 19 20 2 0 0 0 0 23 20 1 0 0 0 0 21 22 1 0 0 0 0 21 24 2 0 0 0 0 22 23 2 0 0 0 0 26 25 2 0 0 0 0 26 28 1 0 0 0 0 17 27 1 0 0 0 0 27 29 1 0 0 0 0 28 35 1 0 0 0 0 30 29 2 0 0 0 0 29 31 1 0 0 0 0 30 34 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 40 35 1 0 0 0 0 36 35 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 39 40 2 0 0 0 0 3 41 1 0 0 0 0 41 42 1 0 0 0 0 21 43 1 0 0 0 0 43 44 1 0 0 0 0 M END > (616) dithiobis(1H-indole-3-carboxamide) deriv. 10r > (616) Src > (616) 3600 > (616) 846 > (616) 1 > (616) Src-P614 > (616) P $$$$ Structure16 csChFnd70/05230809552D 44 49 0 0 0 0 0 0 0 0999 V2000 1.2125 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 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 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5791 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7562 4.6325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7562 2.3673 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.1889 1.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9791 3.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6790 2.2875 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0790 2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5117 3.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2118 1.4646 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.2118 0.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6887 4.7515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2966 4.6052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3443 2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9118 3.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6505 3.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2179 4.3683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8485 4.6593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7137 1.9965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5584 6.2550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1889 5.9639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2581 6.0305 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4889 7.1764 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4352 7.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2228 6.4630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4352 8.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2228 9.2630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0104 8.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0104 7.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1366 7.5387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8366 8.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1366 9.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7367 9.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0367 8.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7367 7.5387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 0.7000 0.0000 O 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 12.1465 0.6650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5159 0.3740 0.0000 C 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 3 4 2 0 0 0 0 4 5 1 0 0 0 0 9 5 1 0 0 0 0 5 6 2 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 7 8 2 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 7 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 14 13 2 0 0 0 0 15 13 1 0 0 0 0 15 19 1 0 0 0 0 20 14 1 0 0 0 0 15 16 1 0 0 0 0 14 17 1 0 0 0 0 17 18 2 0 0 0 0 19 24 1 0 0 0 0 19 20 2 0 0 0 0 23 20 1 0 0 0 0 21 22 1 0 0 0 0 21 24 2 0 0 0 0 22 23 2 0 0 0 0 26 25 2 0 0 0 0 26 28 1 0 0 0 0 17 27 1 0 0 0 0 27 29 1 0 0 0 0 28 35 1 0 0 0 0 30 29 2 0 0 0 0 29 31 1 0 0 0 0 30 34 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 40 35 1 0 0 0 0 36 35 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 39 40 2 0 0 0 0 4 41 1 0 0 0 0 24 43 1 0 0 0 0 41 42 1 0 0 0 0 43 44 1 0 0 0 0 M END > (618) dithiobis(1H-indole-3-carboxamide) deriv. 10w > (618) Src > (618) 3600 > (618) 848 > (618) 1 > (618) Src-P616 > (618) P $$$$ csChFnd70/05230809552D 42 47 0 0 0 0 0 0 0 0999 V2000 1.2125 11.7773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 11.0773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 9.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 8.9771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 9.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 11.0773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 11.5097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 9.2446 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1891 12.8413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2522 13.8817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8830 13.5907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6850 15.2131 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7482 16.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1810 17.5850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1810 20.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9685 19.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9685 18.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3933 18.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3933 19.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5793 10.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9793 10.3771 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.9693 9.3873 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.3693 9.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8018 8.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5018 10.2101 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9790 6.9233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5483 5.6443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9407 5.4978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7254 4.5115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2949 3.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4719 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2596 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0471 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0471 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2596 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4719 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2018 8.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6344 9.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9408 8.6381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0038 9.6785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1386 7.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5080 7.3066 0.0000 C 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 3 4 2 0 0 0 0 4 5 1 0 0 0 0 8 5 1 0 0 0 0 5 6 2 0 0 0 0 7 6 1 0 0 0 0 8 20 1 0 0 0 0 20 7 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 12 1 0 0 0 0 10 11 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 17 14 1 0 0 0 0 14 18 2 0 0 0 0 15 16 1 0 0 0 0 15 19 2 0 0 0 0 16 17 2 0 0 0 0 18 19 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 25 23 1 0 0 0 0 23 24 2 0 0 0 0 25 38 1 0 0 0 0 24 37 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 29 1 0 0 0 0 27 28 2 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 36 31 1 0 0 0 0 32 31 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 37 41 1 0 0 0 0 37 38 2 0 0 0 0 40 38 1 0 0 0 0 39 40 2 0 0 0 0 39 42 1 0 0 0 0 41 42 2 0 0 0 0 M END > (622) 1 H-indole-3-alkanamide deriv. 10a > (622) Src > (622) 3800 > (622) 852 > (622) 1 > (622) Src-P620 > (622) P $$$$ Structure17 csChFnd70/05230809552D 42 47 0 0 0 0 0 0 0 0999 V2000 2.4250 4.8353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 4.1353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 2.7353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 2.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 2.7353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 4.1353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7916 3.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9687 4.5679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9687 2.3026 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.4014 0.9712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1916 3.4353 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.8915 2.2228 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.2915 2.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7242 3.5543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4243 1.4000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 10.4243 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9012 4.6868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5090 4.5405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5568 2.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1243 3.5543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8630 2.9722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4304 4.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0610 4.5947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9262 1.9318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7709 6.1903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4014 5.8993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4706 5.9658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7014 7.1118 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6477 7.0984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4352 6.3984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6477 8.4984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4352 9.1983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2229 8.4984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2229 7.0984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3491 7.4741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0491 8.6866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3491 9.8989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9491 9.8989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2491 8.6866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9491 7.4741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3671 5.3440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.8353 0.0000 O 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 3 4 2 0 0 0 0 4 5 1 0 0 0 0 9 5 1 0 0 0 0 5 6 2 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 7 8 2 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 7 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 14 13 2 0 0 0 0 15 13 1 0 0 0 0 15 19 1 0 0 0 0 20 14 1 0 0 0 0 15 16 1 0 0 0 0 14 17 1 0 0 0 0 17 18 2 0 0 0 0 19 24 1 0 0 0 0 19 20 2 0 0 0 0 23 20 1 0 0 0 0 21 22 1 0 0 0 0 21 24 2 0 0 0 0 22 23 2 0 0 0 0 26 25 2 0 0 0 0 26 28 1 0 0 0 0 17 27 1 0 0 0 0 27 29 1 0 0 0 0 28 35 1 0 0 0 0 30 29 2 0 0 0 0 29 31 1 0 0 0 0 30 34 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 40 35 1 0 0 0 0 36 35 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 39 40 2 0 0 0 0 2 42 1 0 0 0 0 22 41 1 0 0 0 0 M END > (623) dithiobis(1H-indole-3-carboxamide) deriv. 10l > (623) Src > (623) 3900 > (623) 853 > (623) 1 > (623) Src-P621 > (623) P $$$$ csChFnd70/05230809552D 44 49 0 0 0 0 0 0 0 0999 V2000 1.2125 7.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 4.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 5.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 6.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 6.9726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 4.7075 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 5.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 5.8400 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.9692 4.8502 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.3692 4.8502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8017 3.5188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5018 5.6731 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2017 3.5188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6343 4.8502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9406 4.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0037 5.1414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1384 2.4784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5079 2.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1891 8.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4016 9.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9789 2.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5866 2.5325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6140 11.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4637 0.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4016 10.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4116 11.3942 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.7637 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3637 1.4000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.3637 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0114 1.7623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3114 2.9748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9114 2.9748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2114 1.7623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9114 0.5498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3114 0.5498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0593 11.0319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7739 12.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8738 13.9589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1739 15.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7739 15.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0739 13.9589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1739 12.7465 0.0000 C 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 3 4 2 0 0 0 0 4 5 1 0 0 0 0 8 5 1 0 0 0 0 5 6 2 0 0 0 0 7 6 1 0 0 0 0 8 9 1 0 0 0 0 9 7 2 0 0 0 0 7 21 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 14 12 1 0 0 0 0 12 13 2 0 0 0 0 14 16 1 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 15 19 1 0 0 0 0 15 16 2 0 0 0 0 18 16 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 19 20 2 0 0 0 0 21 22 1 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 24 29 1 0 0 0 0 27 25 2 0 0 0 0 27 28 1 0 0 0 0 29 26 2 0 0 0 0 28 38 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 28 39 1 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 32 37 2 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 43 39 1 0 0 0 0 39 44 2 0 0 0 0 40 41 2 0 0 0 0 40 44 1 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 M END > (633) 1 H-indole-3-alkanamide deriv. 10i > (633) Src > (633) 4400 > (633) 863 > (633) 1 > (633) Src-P631 > (633) P $$$$ csChFnd70/05230809552D 24 27 0 0 0 0 0 0 0 0999 V2000 2.5327 5.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 6.7815 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2674 5.9585 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1001 4.6272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 4.6272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8001 3.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 2.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1001 2.2023 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.4147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2001 3.4147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1900 2.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2901 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5899 2.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4900 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1900 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5899 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6901 1.2125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.8641 6.3912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8144 7.7904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1007 5.7347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2874 6.4774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2376 7.8766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0011 8.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4245 8.6191 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 1 2 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 6 4 1 0 0 0 0 5 4 2 0 0 0 0 5 9 1 0 0 0 0 6 8 2 0 0 0 0 9 7 2 0 0 0 0 7 8 1 0 0 0 0 6 10 1 0 0 0 0 10 11 1 0 0 0 0 13 11 2 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 16 2 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 12 17 1 0 0 0 0 1 18 1 0 0 0 0 19 18 1 0 0 0 0 18 20 2 0 0 0 0 23 19 2 0 0 0 0 23 22 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 24 1 0 0 0 0 M END > (639) 4-(Phenylamino)pyrazolo[3,4-d]pyrimidine deriv. 30 > (639) Src > (639) 4900 > (639) 869 > (639) 1 > (639) Src-P637 > (639) P $$$$ Structure19 csChFnd70/05230809552D 42 47 0 0 0 0 0 0 0 0999 V2000 2.4249 4.8353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 4.1353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 2.7353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 2.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 2.7353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 4.1353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7915 3.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9687 4.5678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9687 2.3026 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.4014 0.9711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1915 3.4353 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.8915 2.2228 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.2915 2.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7242 3.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4242 1.4000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 10.4242 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9012 4.6868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5090 4.5405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5567 2.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1242 3.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8629 2.9722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4304 4.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0609 4.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9262 1.9318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7708 6.1903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4014 5.8993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4705 5.9658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7014 7.1117 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6477 7.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4352 6.3983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6477 8.4983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4352 9.1983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2229 8.4983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2229 7.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3491 7.4740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0491 8.6865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3491 9.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9491 9.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2491 8.6865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9491 7.4740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.0353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2323 2.6812 0.0000 O 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 3 4 2 0 0 0 0 4 5 1 0 0 0 0 9 5 1 0 0 0 0 5 6 2 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 7 8 2 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 7 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 14 13 2 0 0 0 0 15 13 1 0 0 0 0 15 19 1 0 0 0 0 20 14 1 0 0 0 0 15 16 1 0 0 0 0 14 17 1 0 0 0 0 17 18 2 0 0 0 0 19 24 1 0 0 0 0 19 20 2 0 0 0 0 23 20 1 0 0 0 0 21 22 1 0 0 0 0 21 24 2 0 0 0 0 22 23 2 0 0 0 0 26 25 2 0 0 0 0 26 28 1 0 0 0 0 17 27 1 0 0 0 0 27 29 1 0 0 0 0 28 35 1 0 0 0 0 30 29 2 0 0 0 0 29 31 1 0 0 0 0 30 34 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 40 35 1 0 0 0 0 36 35 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 39 40 2 0 0 0 0 3 41 1 0 0 0 0 21 42 1 0 0 0 0 M END > (643) dithiobis(1H-indole-3-carboxamide) deriv. 10t > (643) Src > (643) 5100 > (643) 873 > (643) 1 > (643) Src-P641 > (643) P $$$$ Structure20 csChFnd70/05230809552D 40 45 0 0 0 0 0 0 0 0999 V2000 1.2125 4.8353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.1353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.7353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 2.7353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 4.1353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5791 3.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7562 4.5679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7562 2.3026 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.1889 0.9712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9791 3.4353 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6790 2.2228 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0790 2.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5117 3.5543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2118 1.4000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.2118 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6887 4.6868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2966 4.5405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3443 2.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9118 3.5543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6505 2.9722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2179 4.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8485 4.5947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5584 6.1903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1889 5.8993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2581 5.9658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4889 7.1118 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4352 7.0984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2228 6.3984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4352 8.4984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2228 9.1983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0104 8.4984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0104 7.0984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1366 7.4741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8366 8.6866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1366 9.8989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7367 9.8989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0367 8.6866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7367 7.4741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 2.0353 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7137 1.9318 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 2 3 1 0 0 0 0 3 39 2 0 0 0 0 39 4 1 0 0 0 0 8 4 1 0 0 0 0 4 5 2 0 0 0 0 7 5 1 0 0 0 0 8 6 1 0 0 0 0 6 7 2 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 6 10 1 0 0 0 0 10 11 1 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 18 1 0 0 0 0 19 13 1 0 0 0 0 14 15 1 0 0 0 0 13 16 1 0 0 0 0 16 17 2 0 0 0 0 18 40 1 0 0 0 0 18 19 2 0 0 0 0 22 19 1 0 0 0 0 20 21 1 0 0 0 0 20 40 2 0 0 0 0 21 22 2 0 0 0 0 24 23 2 0 0 0 0 24 26 1 0 0 0 0 16 25 1 0 0 0 0 25 27 1 0 0 0 0 26 33 1 0 0 0 0 28 27 2 0 0 0 0 27 29 1 0 0 0 0 28 32 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 38 33 1 0 0 0 0 34 33 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 M END > (645) dithiobis(1H-indole-3-carboxamide) deriv. 10z > (645) Src > (645) 5200 > (645) 875 > (645) 1 > (645) Src-P643 > (645) P $$$$ csChFnd70/05230809552D 25 28 0 0 0 0 0 0 0 0999 V2000 3.6920 11.0809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4795 10.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4795 8.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6920 8.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9044 8.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9044 10.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6920 6.8808 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4795 6.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3470 7.0038 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2145 6.1809 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1001 4.8496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 4.8496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8001 3.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1001 2.4247 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.6372 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 2.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 3.6372 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 2.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 1.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2999 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9999 1.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2999 2.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1169 11.0809 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.3999 1.2124 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 11 8 1 0 0 0 0 9 8 2 0 0 0 0 9 10 1 0 0 0 0 10 12 1 0 0 0 0 13 11 1 0 0 0 0 15 12 1 0 0 0 0 15 16 2 0 0 0 0 16 14 1 0 0 0 0 14 13 2 0 0 0 0 12 11 2 0 0 0 0 13 17 1 0 0 0 0 17 18 1 0 0 0 0 23 18 2 0 0 0 0 19 18 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 6 24 1 0 0 0 0 22 25 1 0 0 0 0 M END > (647) 4-(Phenylamino)pyrazolo[3,4-d]pyrimidine deriv. 9 > (647) Src > (647) 5300 > (647) 877 > (647) 1 > (647) Src-P645 > (647) P $$$$ csChFnd70/05230809552D 18 20 0 0 0 0 0 0 0 0999 V2000 3.6919 8.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4795 7.9561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4795 6.5560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6919 5.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9044 6.5560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9044 7.9561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1167 8.6561 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.6919 4.4561 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4795 3.7561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3470 4.5791 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2145 3.7561 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1001 2.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 2.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8001 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1001 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 1.2125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 4 8 1 0 0 0 0 8 9 1 0 0 0 0 12 9 1 0 0 0 0 10 9 2 0 0 0 0 10 11 1 0 0 0 0 11 13 1 0 0 0 0 14 12 1 0 0 0 0 16 13 1 0 0 0 0 16 18 2 0 0 0 0 18 15 1 0 0 0 0 15 14 2 0 0 0 0 13 12 2 0 0 0 0 14 17 1 0 0 0 0 M END > (650) pyrazolopyrimidine deriv. 6 > (650) Src > (650) 6000 > (650) 880 > (650) 1 > (650) Src-P648 > (650) P $$$$ Structure23 csChFnd70/05230809552D 58 63 0 0 0 0 0 0 0 0999 V2000 2.9973 3.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 3.0189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 1.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9973 0.9189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2098 3.0189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2098 1.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5412 3.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3641 2.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5412 1.1863 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9738 4.7830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0371 5.8234 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6676 5.5324 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7309 6.5726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1285 7.9150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4696 7.1548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8391 7.4459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5329 8.1952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8952 9.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2475 9.9098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3872 12.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1995 11.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4832 9.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6709 9.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6229 11.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7641 2.3189 0.0000 Se 0 0 0 0 0 0 0 0 0 0 0 0 9.1640 2.3189 0.0000 Se 0 0 0 0 0 0 0 0 0 0 0 0 10.5640 2.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6966 3.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6966 4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9966 0.9874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8293 2.3720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3965 1.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3334 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7029 0.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1354 1.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1985 2.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9090 5.2417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1215 4.5417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3338 5.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9090 6.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3338 6.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6966 7.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1215 7.3417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1215 8.7416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3338 9.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5463 11.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3338 10.8418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5463 8.7416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7587 9.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7587 10.8418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5463 4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7586 5.2417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 17.7587 3.8417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 16.5463 3.1417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.3656 6.2636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4151 7.2916 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.9546 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.9503 4.9266 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 6 1 0 0 0 0 7 5 1 0 0 0 0 6 5 2 0 0 0 0 6 9 1 0 0 0 0 7 8 2 0 0 0 0 9 8 1 0 0 0 0 8 25 1 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 11 15 1 0 0 0 0 11 12 1 1 0 0 0 12 13 1 0 0 0 0 13 14 2 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 18 19 1 0 0 0 0 21 19 1 0 0 0 0 19 22 2 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 28 27 2 0 0 0 0 27 30 1 0 0 0 0 28 31 1 0 0 0 0 30 32 1 0 0 0 0 28 29 1 0 0 0 0 29 37 1 0 0 0 0 36 31 1 0 0 0 0 32 31 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 37 40 1 0 0 0 0 37 38 1 6 0 0 0 38 39 1 0 0 0 0 40 43 1 0 0 0 0 39 41 2 0 0 0 0 40 42 2 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 47 45 1 0 0 0 0 45 48 2 0 0 0 0 46 47 2 0 0 0 0 46 50 1 0 0 0 0 48 49 1 0 0 0 0 49 50 2 0 0 0 0 39 51 1 0 0 0 0 51 52 1 0 0 0 0 51 54 1 0 0 0 0 51 53 1 0 0 0 0 13 55 1 0 0 0 0 55 56 1 0 0 0 0 55 58 1 0 0 0 0 55 57 1 0 0 0 0 M END > (653) diselenobis(1H-indole) deriv. 32a > (653) Src > (653) 6200 > (653) 883 > (653) 1 > (653) Src-P651 > (653) P $$$$ Structure24 csChFnd70/05230809552D 30 33 0 0 0 0 0 0 0 0999 V2000 1.2123 4.8835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 2.0835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 2.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 4.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5791 3.4835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7562 4.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7562 2.3508 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.1890 1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9791 3.4835 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6790 2.2710 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0791 2.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5705 3.5819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9691 3.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3421 2.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9512 4.5175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6971 1.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6794 2.8163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3063 4.1657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1741 1.3986 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.1118 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 5.9475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7987 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2522 6.9879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5584 6.2385 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9911 7.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4013 4.6658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4244 6.0023 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8218 6.0867 0.0000 C 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 3 4 2 0 0 0 0 4 5 1 0 0 0 0 9 5 1 0 0 0 0 5 6 2 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 7 8 2 0 0 0 0 9 10 1 0 0 0 0 8 23 1 0 0 0 0 7 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 14 13 2 0 0 0 0 21 13 1 0 0 0 0 21 16 1 0 0 0 0 15 14 1 0 0 0 0 17 15 1 0 0 0 0 16 15 2 0 0 0 0 16 18 1 0 0 0 0 17 20 2 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 14 24 1 0 0 0 0 21 22 1 0 0 0 0 23 25 2 0 0 0 0 24 28 2 0 0 0 0 23 26 1 0 0 0 0 26 27 1 0 0 0 0 24 29 1 0 0 0 0 29 30 1 0 0 0 0 M END > (654) dithiobis(1H-indoles) deriv. 3 > (654) Src > (654) 6700 > (654) 884 > (654) 1 > (654) Src-P652 > (654) P $$$$ Structure25 csChFnd70/05230809552D 46 51 0 0 0 0 0 0 0 0999 V2000 3.6374 4.8353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 4.1353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 2.7353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6374 2.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 2.7353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 4.1353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0040 3.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1812 4.5679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1812 2.3026 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.6139 0.9712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4041 3.4353 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.1040 2.2228 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.5040 2.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9367 3.5543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6368 1.4000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 11.6368 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1137 4.6868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7215 4.5405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7693 2.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3368 3.5543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0755 2.9722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6429 4.3037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2735 4.5947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1388 1.9318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9834 6.1903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6139 5.8993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6831 5.9658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9139 7.1118 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 7.0984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6477 6.3984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 8.4984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6477 9.1984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4354 8.4984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4354 7.0984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5616 7.4741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2616 8.6866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5616 9.8989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1616 9.8989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4616 8.6866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1616 7.4741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.1353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 4.8353 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.2125 6.2353 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 15.1469 6.6755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5796 5.3441 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 16.9796 5.3441 0.0000 O 0 5 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 3 4 2 0 0 0 0 4 5 1 0 0 0 0 9 5 1 0 0 0 0 5 6 2 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 7 8 2 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 7 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 14 13 2 0 0 0 0 15 13 1 0 0 0 0 15 19 1 0 0 0 0 20 14 1 0 0 0 0 15 16 1 0 0 0 0 14 17 1 0 0 0 0 17 18 2 0 0 0 0 19 24 1 0 0 0 0 19 20 2 0 0 0 0 23 20 1 0 0 0 0 21 22 1 0 0 0 0 21 24 2 0 0 0 0 22 23 2 0 0 0 0 26 25 2 0 0 0 0 26 28 1 0 0 0 0 17 27 1 0 0 0 0 27 29 1 0 0 0 0 28 35 1 0 0 0 0 30 29 2 0 0 0 0 29 31 1 0 0 0 0 30 34 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 40 35 1 0 0 0 0 36 35 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 39 40 2 0 0 0 0 2 42 1 0 0 0 0 22 45 1 0 0 0 0 42 41 2 0 0 0 0 42 43 1 0 0 0 0 45 44 2 0 0 0 0 45 46 1 0 0 0 0 M END > (658) dithiobis(1H-indole-3-carboxamide) deriv. 10o > (658) Src > (658) 7200 > (658) 888 > (658) 1 > (658) Src-P656 > (658) P $$$$ Structure26 csChFnd70/05230809552D 48 53 0 0 0 0 0 0 0 0999 V2000 4.8499 4.8353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6374 4.1353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6374 2.7353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8499 2.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 2.7353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 4.1353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2165 3.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3936 4.5678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3936 2.3026 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.8263 0.9711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6165 3.4353 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.3164 2.2228 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.7164 2.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1491 3.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8491 1.4000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 12.8491 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3261 4.6868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9339 4.5405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9817 2.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5491 3.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2878 2.9722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8553 4.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4858 4.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3511 1.9318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1958 6.1903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8263 5.8993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8954 5.9658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1264 7.1117 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0726 7.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8601 6.3983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0726 8.4983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8601 9.1983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6478 8.4983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6478 7.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7740 7.4740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4740 8.6865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7740 9.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3741 9.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6741 8.6865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3741 7.4740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7920 5.3440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 4.8353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 4.1353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.8353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 2.7353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3593 6.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2960 7.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9898 6.9665 0.0000 O 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 3 4 2 0 0 0 0 4 5 1 0 0 0 0 9 5 1 0 0 0 0 5 6 2 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 7 8 2 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 7 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 14 13 2 0 0 0 0 15 13 1 0 0 0 0 15 19 1 0 0 0 0 20 14 1 0 0 0 0 15 16 1 0 0 0 0 14 17 1 0 0 0 0 17 18 2 0 0 0 0 19 24 1 0 0 0 0 19 20 2 0 0 0 0 23 20 1 0 0 0 0 21 22 1 0 0 0 0 21 24 2 0 0 0 0 22 23 2 0 0 0 0 26 25 2 0 0 0 0 26 28 1 0 0 0 0 17 27 1 0 0 0 0 27 29 1 0 0 0 0 28 35 1 0 0 0 0 30 29 2 0 0 0 0 29 31 1 0 0 0 0 30 34 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 40 35 1 0 0 0 0 36 35 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 39 40 2 0 0 0 0 2 42 1 0 0 0 0 22 41 1 0 0 0 0 41 46 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 43 45 2 0 0 0 0 46 47 1 0 0 0 0 46 48 2 0 0 0 0 M END > (660) dithiobis(1H-indole-3-carboxamide) deriv. 10k > (660) Src > (660) 7700 > (660) 890 > (660) 1 > (660) Src-P658 > (660) P $$$$ csChFnd70/05230809552D 26 29 0 0 0 0 0 0 0 0999 V2000 2.4795 10.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4795 8.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6920 8.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9044 8.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6920 6.8808 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4795 6.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3470 7.0038 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2145 6.1809 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1001 4.8496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 4.8496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8001 3.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1001 2.4247 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.6372 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 2.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 3.6372 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 2.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 1.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2999 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9999 1.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2999 2.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3999 1.2124 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.6920 11.0809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9044 10.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1169 11.0809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1169 12.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23 1 2 0 0 0 0 23 24 1 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 24 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 9 6 1 0 0 0 0 7 6 2 0 0 0 0 7 8 1 0 0 0 0 8 10 1 0 0 0 0 11 9 1 0 0 0 0 13 10 1 0 0 0 0 13 14 2 0 0 0 0 14 12 1 0 0 0 0 12 11 2 0 0 0 0 10 9 2 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 21 16 2 0 0 0 0 17 16 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 M END > (662) 4-(Phenylamino)pyrazolo[3,4-d]pyrimidine deriv. 14 > (662) Src > (662) 7800 > (662) 892 > (662) 1 > (662) Src-P660 > (662) P $$$$ csChFnd70/05230809552D 25 28 0 0 0 0 0 0 0 0999 V2000 3.6920 11.0809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4795 10.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4795 8.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6920 8.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9044 8.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9044 10.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6920 6.8808 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4795 6.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3470 7.0038 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2145 6.1809 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1001 4.8496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 4.8496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8001 3.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1001 2.4247 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.6372 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 2.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 3.6372 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 2.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 1.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2999 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9999 1.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2999 2.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1169 11.0809 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.3999 1.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 11 8 1 0 0 0 0 9 8 2 0 0 0 0 9 10 1 0 0 0 0 10 12 1 0 0 0 0 13 11 1 0 0 0 0 15 12 1 0 0 0 0 15 16 2 0 0 0 0 16 14 1 0 0 0 0 14 13 2 0 0 0 0 12 11 2 0 0 0 0 13 17 1 0 0 0 0 17 18 1 0 0 0 0 23 18 2 0 0 0 0 19 18 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 6 24 1 0 0 0 0 22 25 1 0 0 0 0 M END > (664) 4-(Phenylamino)pyrazolo[3,4-d]pyrimidine deriv. 11 > (664) Src > (664) 8080 > (664) 894 > (664) 1 > (664) Src-P662 > (664) P $$$$ csChFnd70/05230809552D 24 27 0 0 0 0 0 0 0 0999 V2000 2.5327 5.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 6.7815 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2674 5.9585 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1001 4.6272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 4.6272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8001 3.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 2.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1001 2.2023 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.4147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2001 3.4147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1900 2.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2901 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5899 2.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4900 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1900 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5899 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6901 1.2125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.8641 6.3912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8144 7.7904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1007 5.7347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2874 6.4774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2376 7.8766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0011 8.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4245 8.6191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 1 2 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 6 4 1 0 0 0 0 5 4 2 0 0 0 0 5 9 1 0 0 0 0 6 8 2 0 0 0 0 9 7 2 0 0 0 0 7 8 1 0 0 0 0 6 10 1 0 0 0 0 10 11 1 0 0 0 0 13 11 2 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 16 2 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 12 17 1 0 0 0 0 1 18 1 0 0 0 0 19 18 1 0 0 0 0 18 20 2 0 0 0 0 23 19 2 0 0 0 0 23 22 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 24 1 0 0 0 0 M END > (668) 4-(Phenylamino)pyrazolo[3,4-d]pyrimidine deriv. 26 > (668) Src > (668) 8550 > (668) 898 > (668) 1 > (668) Src-P666 > (668) P $$$$ Structure27 csChFnd70/05230809552D 20 22 0 0 0 0 0 0 0 0999 V2000 1.2125 3.9171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 1.1170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3718 3.1640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3718 1.7640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7033 3.5967 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5261 2.4640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7033 1.3315 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.1360 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9261 2.4640 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1358 4.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1991 5.9685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5053 5.2192 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9378 6.5506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9378 9.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7255 8.6508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7255 7.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1503 7.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1503 8.6508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 6 1 0 0 0 0 7 5 1 0 0 0 0 6 5 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 9 8 1 0 0 0 0 9 10 1 0 0 0 0 8 11 2 0 0 0 0 7 12 1 0 0 0 0 12 14 1 0 0 0 0 12 13 2 0 0 0 0 14 15 1 0 0 0 0 18 15 2 0 0 0 0 15 19 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 19 20 2 0 0 0 0 M END > (673) 2-thioxo-1H-indole-3-carboxamide deriv. 9a > (673) Src > (673) 9700 > (673) 903 > (673) 1 > (673) Src-P671 > (673) P $$$$ csChFnd70/05230809552D 31 34 0 0 0 0 0 0 0 0999 V2000 2.5327 5.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 6.7815 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2674 5.9585 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1001 4.6272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 4.6272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8001 3.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 2.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1001 2.2023 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.4147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2001 3.4147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1900 2.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2901 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5899 2.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4900 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1900 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5899 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6901 1.2125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.8641 6.3912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8144 7.7904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1007 5.7347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2874 6.4774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2376 7.8766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0011 8.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4245 8.6191 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6609 7.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6609 6.5628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8734 8.6628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5780 7.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2257 8.3005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9257 9.5129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8634 6.9481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 1 2 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 6 4 1 0 0 0 0 5 4 2 0 0 0 0 5 9 1 0 0 0 0 6 8 2 0 0 0 0 9 7 2 0 0 0 0 7 8 1 0 0 0 0 6 10 1 0 0 0 0 10 11 1 0 0 0 0 13 11 2 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 16 2 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 12 17 1 0 0 0 0 1 18 1 0 0 0 0 19 18 1 0 0 0 0 18 20 2 0 0 0 0 23 19 2 0 0 0 0 23 22 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 27 1 0 0 0 0 25 26 2 0 0 0 0 27 29 1 0 0 0 0 29 28 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 M END > (674) 4-(Phenylamino)pyrazolo[3,4-d]pyrimidine deriv. 29 > (674) Src > (674) 9800 > (674) 904 > (674) 1 > (674) Src-P672 > (674) P $$$$ 3g.mol csChFnd70/05210813072D 27 30 0 0 0 0 0 0 0 0999 V2000 2.4206 6.2928 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4206 4.8927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6331 4.1928 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8456 4.8927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8456 6.2928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6331 6.9928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0579 4.1928 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.2704 4.8927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2704 6.2928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0579 6.9928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4787 4.1953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6912 4.8951 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.6912 6.2904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4787 6.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9035 6.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9035 8.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6912 9.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4787 8.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2704 9.0880 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.0579 2.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 4.1953 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 8 11 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 9 1 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 14 1 0 0 0 0 18 19 1 0 0 0 0 7 20 1 0 0 0 0 2 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 22 1 0 0 0 0 M END > (82) 3 > (82) PMID_12941336 > (82) 2003 > (82) SRC > (82) 16 > (82) 1 > (82) 80 > (82) SRC-P80 $$$$