Wcorina 04070615263D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 40 43 0 0 0 999 V2000 -0.0159 1.3201 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 1.1109 2.0295 0.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3060 1.4710 -0.0121 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2593 -0.6590 -0.0135 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4316 0.1372 -0.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1718 -0.7272 0.0098 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0185 3.5104 0.0107 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8480 6.2419 0.0247 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4608 -0.0312 0.0263 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3691 -2.0530 -0.0216 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5778 -1.0427 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6858 -0.4891 -0.0353 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0391 5.6758 0.0116 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2634 5.5321 0.0267 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1704 4.3016 0.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2229 4.1522 0.0196 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0783 -1.5130 1.2316 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1059 -1.4960 -1.1625 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6055 -2.6302 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7583 -1.8506 -0.0428 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1305 -2.4238 -1.1573 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1029 -2.4409 1.2368 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6269 -2.8987 0.0423 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1442 -1.6968 0.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5275 0.5888 0.9203 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5452 0.5984 -0.8595 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4817 -2.6684 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5889 0.1032 -0.0411 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9235 6.2956 0.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2180 6.0370 0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1490 3.8447 -0.0068 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1371 3.5771 0.0206 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6685 -1.1558 2.1648 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7181 -1.1249 -2.0997 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6906 -3.7068 -0.0422 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7253 -2.3315 -0.0543 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5436 -2.7774 -2.0904 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4937 -2.8087 2.1741 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4277 -3.6234 0.0464 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 2 5 1 0 0 0 0 2 7 1 0 0 0 0 3 4 2 0 0 0 0 3 8 1 0 0 0 0 4 6 1 0 0 0 0 5 11 2 0 0 0 0 5 6 1 0 0 0 0 6 13 2 0 0 0 0 7 10 1 0 0 0 0 7 25 1 0 0 0 0 8 16 2 0 0 0 0 8 17 1 0 0 0 0 9 15 1 0 0 0 0 9 14 2 0 0 0 0 10 12 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 20 1 0 0 0 0 11 28 1 0 0 0 0 12 18 2 0 0 0 0 12 19 1 0 0 0 0 13 21 1 0 0 0 0 13 29 1 0 0 0 0 14 16 1 0 0 0 0 14 30 1 0 0 0 0 15 17 2 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 18 23 1 0 0 0 0 18 34 1 0 0 0 0 19 22 2 0 0 0 0 19 35 1 0 0 0 0 20 21 2 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 22 24 1 0 0 0 0 22 38 1 0 0 0 0 23 24 2 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 M END > 295480 > Cyclooxygenase-2 > Homo sapiens > 7658441 > J. Med. Chem.|1995|38|18|3547 > 65 > 1995 > 295480 > Phosphodiesterase 2A > Rattus norvegicus > 7658441 > J. Med. Chem.|1995|38|18|3547 > 65 > 1995 $$$$ Wcorina 04070615253D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 25 26 0 0 0 0 0 0 0 0999 V2000 -0.0168 1.3867 0.0097 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2433 -0.6637 -0.0134 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2602 2.1027 0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4128 1.4063 -0.0134 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4147 0.0596 -0.0202 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2573 2.1021 0.0195 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2413 2.6696 0.0272 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2801 3.3214 0.0073 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2912 -2.1464 -0.0218 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 -4.8812 -0.0375 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7312 -0.6736 -0.0367 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8814 -4.2633 1.0168 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8313 -4.2206 -1.0865 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8181 -2.8862 1.0659 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8053 -2.8419 -1.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9198 -0.5667 0.0082 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2573 1.8835 -0.0193 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5486 0.0475 -0.0411 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8073 -1.3037 0.8494 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7899 -1.2948 -0.9305 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5184 -4.8434 1.8523 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2309 -4.7666 -1.9282 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4094 -2.3870 1.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1763 -2.3077 -1.9822 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 4 1 0 0 0 0 1 7 1 0 0 0 0 2 3 1 0 0 0 0 2 17 1 0 0 0 0 3 10 1 0 0 0 0 3 6 2 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 1 0 0 0 0 5 18 1 0 0 0 0 6 12 1 0 0 0 0 7 8 3 0 0 0 0 10 15 2 0 0 0 0 10 16 1 0 0 0 0 11 14 1 0 0 0 0 11 13 2 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 13 15 1 0 0 0 0 13 22 1 0 0 0 0 14 16 2 0 0 0 0 14 23 1 0 0 0 0 15 24 1 0 0 0 0 16 25 1 0 0 0 0 M END > 480567 > Cyclooxygenase-1 > Homo sapiens > 16290144 > Bioorg. Med. Chem. Lett.|2006|16|4|1080 > Milrinone > 2006 > 480567 > Phosphodiesterase 4A > Sus scrofa > 10891111 > J. Med. Chem.|2000|43|13|2523 > Milrinone > 2000 $$$$ Wcorina 04070615253D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 62 63 0 1 0 999 V2000 -0.3899 1.1735 0.1007 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6848 1.6749 0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7652 0.8128 0.0777 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1685 -0.1959 0.0265 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2377 -1.0714 -0.0176 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5501 -0.5724 0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6942 -1.4969 -0.0543 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1854 -2.0914 1.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2981 -2.8597 1.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0194 -2.4086 -0.0906 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2193 -1.7514 -1.1242 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0295 1.3045 0.1034 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1719 2.7243 0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6650 2.0264 0.1432 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2408 -0.7286 -0.0066 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7719 -0.8551 1.4227 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2217 -1.2646 1.3855 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9624 -1.9126 2.1758 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6355 -2.5042 0.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1222 -0.5430 2.0055 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 -1.9508 3.6164 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5200 -1.8194 4.5752 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8061 -3.4746 2.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1418 -3.2684 3.5456 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6222 -3.8472 4.6973 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7666 -4.6383 4.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4332 -4.8502 3.4613 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9657 -4.2691 2.2964 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6165 -4.4749 1.1238 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2329 -5.2057 5.8015 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9470 -1.7315 4.2415 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9711 -1.7563 6.0116 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8485 2.7408 0.1838 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6710 -1.9307 2.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8124 -3.0204 0.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9510 -2.7472 -0.9937 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6977 3.0878 1.0927 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6960 3.1851 -0.6846 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2307 2.9830 0.1941 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9679 2.3209 -0.7266 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2479 -1.7080 -0.4849 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8747 -0.0442 -0.5705 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6783 0.1044 1.9313 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0973 -1.6623 2.1265 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1267 -2.8889 1.7197 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7861 -2.2591 -0.4163 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5645 -2.8899 1.0549 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8552 -3.2601 0.7237 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1613 -0.8365 1.9789 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8257 0.3453 2.5434 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4467 -2.0863 3.8585 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2529 -2.6558 3.5787 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1090 -3.6875 5.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3206 -5.4654 3.4389 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3065 -3.8236 0.9373 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8662 -4.6564 6.2835 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3565 -2.7361 4.1361 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4707 -1.2078 5.0412 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0749 -1.1870 3.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1569 -0.7186 6.2889 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1948 -2.1708 6.6548 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8879 -2.3338 6.1302 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 14 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 3 12 1 0 0 0 0 3 6 2 0 0 0 0 4 15 1 0 0 0 0 4 5 2 0 0 0 0 5 10 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 8 9 2 0 0 0 0 8 34 1 0 0 0 0 9 23 1 0 0 0 0 9 35 1 0 0 0 0 10 36 1 0 0 0 0 12 13 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 43 1 0 0 0 0 17 19 1 0 0 0 0 17 20 2 0 0 0 0 18 21 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 22 2 0 0 0 0 21 51 1 0 0 0 0 22 31 1 0 0 0 0 22 32 1 0 0 0 0 23 24 2 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 25 26 2 0 0 0 0 25 53 1 0 0 0 0 26 27 1 0 0 0 0 26 30 1 0 0 0 0 27 28 2 0 0 0 0 27 54 1 0 0 0 0 28 29 1 0 0 0 0 29 55 1 0 0 0 0 30 56 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 31 59 1 0 0 0 0 32 60 1 0 0 0 0 32 61 1 0 0 0 0 32 62 1 0 0 0 0 M END > 491229 > Cyclooxygenase-1 > Homo sapiens > 16038536 > J. Nat. Prod.|2005|68|7|985 > kuraridin > 2005 > 491229 > Phosphodiesterase 4D > Rattus norvegicus > 12161123 > Bioorg. Med. Chem. Lett.|2002|12|17|2313 > 5 (Kuraridine) > 2002 $$$$