Marvin 08131001042D 9 9 0 0 0 0 999 V2000 6.3250 6.6917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1125 6.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0667 5.9042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2875 7.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7250 6.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5542 5.2417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6542 7.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2417 5.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 2 1 0 0 0 0 3 6 1 1 0 0 0 7 1 1 0 0 0 0 8 7 1 0 0 0 0 9 3 1 0 0 0 0 8 9 1 0 0 0 0 M END > AA001 > cis-2-Amino-cyclopentanecarboxylic acid > 37910-65-9 > MFCD00143982 > <250mg> 75 > <500mg> 135 > <1g> 225 > <2.5g> 450 > <5g> 810 > Racemic $$$$ Marvin 08131001042D 10 9 0 0 0 0 999 V2000 5.7417 -2.3417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5292 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4792 -3.1292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7042 -1.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1417 -2.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9667 -3.7917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0667 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7125 -2.8417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.4167 -2.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6542 -3.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 2 1 0 0 0 0 3 6 1 1 0 0 0 7 1 1 0 0 0 0 9 7 1 0 0 0 0 10 3 1 0 0 0 0 9 10 1 0 0 0 0 M END > AA001-1 > cis-2-Amino-cyclopentanecarboxylic acid hydrochloride > 18414-30-7 > MFCD05863555 > <250mg> 65 > <500mg> 115 > <1g> 195 > <2.5g> 390 > <5g> 705 > Racemic > HCl $$$$ Marvin 08131001042D 10 10 0 0 0 0 999 V2000 6.4250 6.4792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1375 6.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4250 5.6542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1375 7.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8500 6.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1375 5.2417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7125 6.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7125 5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 2 1 0 0 0 0 3 6 1 1 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 7 1 0 0 0 0 10 9 1 0 0 0 0 10 8 1 0 0 0 0 M END > AA002 > cis-2-Amino-1-cyclohexanecarboxylic acid > 5691-20-3 > MFCD00143980 > <250mg> 50 > <500mg> 85 > <1g> 140 > <2.5g> 280 > <5g> 505 > Racemic $$$$ Marvin 08131001042D 10 10 0 0 0 0 999 V2000 6.4292 6.4792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1417 6.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4292 5.6542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1500 7.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8542 6.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1417 5.2417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7167 6.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7167 5.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 2 1 0 0 0 0 3 6 1 6 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 7 1 0 0 0 0 10 9 1 0 0 0 0 8 10 1 0 0 0 0 M END > AA003 > trans-2-Amino-cyclohexanecarboxylic acid > 5691-19-0 > MFCD00145418 > <250mg> 55 > <500mg> 100 > <1g> 165 > <2.5g> 330 > <5g> 595 > Racemic $$$$ Marvin 08131001042D 11 10 0 0 0 0 999 V2000 5.7417 -2.5375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4542 -2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7417 -3.3625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4667 -1.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1667 -2.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4542 -3.7750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -2.8042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.0292 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0292 -3.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3167 -2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3167 -3.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 2 1 0 0 0 0 3 6 1 6 0 0 0 8 1 1 0 0 0 0 9 3 1 0 0 0 0 10 8 1 0 0 0 0 11 10 1 0 0 0 0 9 11 1 0 0 0 0 M END > AA003-1 > trans-2-Amino-cyclohexanecarboxylic acid hydrochloride > 57266-57-6 > MFCD05863557 > <250mg> 55 > <500mg> 95 > <1g> 160 > <2.5g> 320 > <5g> 580 > Racemic > HCl $$$$ Marvin 08131001042D 10 10 0 0 0 0 999 V2000 6.4167 6.4792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1375 6.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4167 5.6542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1417 7.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8500 6.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1375 5.2417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7042 6.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7042 5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 9 1 0 0 0 0 6 5 2 0 0 0 0 7 2 1 0 0 0 0 3 8 1 1 0 0 0 9 1 1 0 0 0 0 10 3 1 0 0 0 0 10 6 1 0 0 0 0 M END > AA004 > cis-6-Amino-cyclohex-3-enecarboxylic acid > 54162-90-2 > MFCD00143983 > <250mg> 70 > <500mg> 120 > <1g> 200 > <2.5g> 400 > <5g> 720 > Racemic $$$$ Marvin 08131001042D 10 10 0 0 0 0 999 V2000 6.4167 6.4792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1417 6.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4167 5.6542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1417 7.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8500 6.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1417 5.2417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7042 6.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7042 5.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 9 1 0 0 0 0 6 5 2 0 0 0 0 7 2 1 0 0 0 0 3 8 1 6 0 0 0 9 1 1 0 0 0 0 10 3 1 0 0 0 0 10 6 1 0 0 0 0 M END > AA005 > trans-6-Amino-cyclohex-3-enecarboxylic acid > 97945-19-2 > MFCD00145419 > <250mg> 75 > <500mg> 135 > <1g> 225 > <2.5g> 450 > <5g> 810 > Racemic $$$$ Marvin 08131001042D 12 12 0 0 0 0 999 V2000 6.4342 6.4968 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1477 6.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4342 5.6623 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1519 7.7277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8654 6.4885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1477 5.2492 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7124 6.9099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7124 5.2617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5790 6.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0072 6.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2925 6.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0072 5.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 2 1 0 0 0 0 3 6 1 1 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 5 1 0 0 0 0 10 7 1 0 0 0 0 11 9 1 0 0 0 0 12 10 1 0 0 0 0 12 8 1 0 0 0 0 M END > AA006 > cis-2-Amino-cyclohexanecarboxylic acid ethyl ester > 1436-60-8 > MFCD01318530 > <250mg> 80 > <500mg> 135 > <1g> 230 > <2.5g> 460 > <5g> 830 > Racemic $$$$ Marvin 08131001042D 13 12 0 0 0 0 999 V2000 5.3792 -2.4561 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0923 -2.0433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3792 -3.2943 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0965 -1.2177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8096 -2.4686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0923 -3.6946 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8729 -3.4652 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6579 -2.0433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6579 -3.6946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5226 -2.0433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9531 -2.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2357 -2.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9531 -3.2943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 2 1 0 0 0 0 3 6 1 1 0 0 0 8 1 1 0 0 0 0 9 3 1 0 0 0 0 10 5 1 0 0 0 0 11 8 1 0 0 0 0 12 10 1 0 0 0 0 13 11 1 0 0 0 0 13 9 1 0 0 0 0 M END > AA006-1 > cis-2-Amino-cyclohexanecarboxylic acid ethyl ester hydrochloride > 1127-99-7 > MFCD00144280 > <250mg> 55 > <500mg> 95 > <1g> 160 > <2.5g> 320 > <5g> 580 > Racemic > HCl $$$$ Marvin 08131001042D 11 11 0 0 0 0 999 V2000 -0.5571 -0.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1123 -0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5613 -1.5217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0291 0.6070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1040 -2.0082 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3429 -0.4408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8648 -0.5530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3429 -1.7712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8294 -1.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5259 -0.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2826 -0.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 6 1 0 0 0 0 10 7 1 0 0 0 0 11 10 1 0 0 0 0 9 8 1 0 0 0 0 M END > AA007 > 2-Amino-cyclopent-1-enecarboxylic acid ethyl ester > 7149-18-0 > MFCD00216929 > <250mg> 70 > <500mg> 120 > <1g> 200 > <2.5g> 400 > <5g> 720 > Achiral $$$$ Marvin 08131001042D 12 12 0 0 0 0 999 V2000 1.7450 0.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4621 0.5969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7450 -0.6383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4663 1.4258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4621 -1.0487 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 0.1823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0321 0.6051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0321 -1.0487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8838 0.5969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3233 0.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3233 -0.6383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6008 0.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 6 1 0 0 0 0 10 7 1 0 0 0 0 11 10 1 0 0 0 0 12 9 1 0 0 0 0 11 8 1 0 0 0 0 M END > AA008 > 2-Amino-cyclohex-1-enecarboxylic acid ethyl ester > 1128-00-3 > MFCD01863243 > <1g> DISC $$$$ Marvin 08131001042D 11 12 0 0 0 0 999 V2000 6.1440 -10.3084 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4352 -9.8932 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1440 -11.1388 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8611 -9.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4352 -11.5497 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6407 -10.6942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7223 -10.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8611 -9.0754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7223 -11.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8611 -11.5540 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5782 -10.3168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 1 4 1 1 0 0 0 5 3 1 0 0 0 0 2 6 1 1 0 0 0 7 2 1 0 0 0 0 8 4 2 0 0 0 0 9 5 1 0 0 0 0 3 10 1 1 0 0 0 11 4 1 0 0 0 0 5 6 1 1 0 0 0 9 7 1 0 0 0 0 M END > AA009 > diexo-3-Amino-bicyclo[2.2.1]heptane-2-carboxylic acid > 88330-32-9 > MFCD00143159 > <250mg> 90 > <500mg> 155 > <1g> 265 > <2.5g> 530 > <5g> 955 > Racemic $$$$ Marvin 08131001042D 12 12 0 0 0 0 999 V2000 5.4405 -10.2629 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7265 -9.8496 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4405 -11.0896 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1544 -9.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7265 -11.4988 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9394 -10.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0208 -10.2629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1544 -9.0354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0208 -11.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1502 -11.5030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8642 -10.2712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1669 -10.7890 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 1 4 1 1 0 0 0 5 3 1 0 0 0 0 2 6 1 1 0 0 0 7 2 1 0 0 0 0 8 4 2 0 0 0 0 9 5 1 0 0 0 0 3 10 1 1 0 0 0 11 4 1 0 0 0 0 5 6 1 1 0 0 0 9 7 1 0 0 0 0 M END > AA009-1 > diexo-3-Amino-bicyclo[2.2.1]heptane-2-carboxylic acid hydrochloride > 14932-25-3 > MFCD07783733 > <1g> DISC > Racemic > HCl $$$$ Marvin 08131001042D 11 12 0 0 0 0 999 V2000 6.1440 -10.3084 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4352 -9.8932 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1440 -11.1388 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4352 -11.5497 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8611 -9.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7223 -10.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7223 -11.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6407 -10.6942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8611 -9.0754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8611 -11.5540 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5782 -10.3168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 1 5 1 1 0 0 0 6 2 1 0 0 0 0 7 4 1 0 0 0 0 2 8 1 1 0 0 0 9 5 2 0 0 0 0 3 10 1 1 0 0 0 11 5 1 0 0 0 0 4 8 1 1 0 0 0 7 6 2 0 0 0 0 M END > AA010 > diexo-3-Amino-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid > 92511-32-5 > MFCD00143158 > <100mg> 55 > <250mg> 105 > <500mg> 180 > <1g> 310 > <2.5g> 620 > <5g> 1120 > Racemic $$$$ Marvin 08131001042D 12 12 0 0 0 0 999 V2000 6.1440 -10.3084 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4352 -9.8932 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1440 -11.1388 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4352 -11.5497 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8611 -9.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7223 -10.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7223 -11.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6407 -10.6942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8611 -9.0754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8611 -11.5540 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5782 -10.3168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0209 -11.0255 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 1 5 1 1 0 0 0 6 2 1 0 0 0 0 7 4 1 0 0 0 0 2 8 1 1 0 0 0 9 5 2 0 0 0 0 3 10 1 1 0 0 0 11 5 1 0 0 0 0 4 8 1 1 0 0 0 7 6 2 0 0 0 0 M END > AA010-1 > diexo-3-Amino-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid hydrochloride > 947601-81-2 > MFCD07783734 > <100mg> 55 > <250mg> 105 > <500mg> 180 > <1g> 305 > <2.5g> 610 > <5g> 1100 > Racemic > HCl $$$$ Marvin 08131001042D 11 12 0 0 0 0 999 V2000 6.1440 -10.3084 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4352 -9.8932 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1440 -11.1388 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4352 -11.5497 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8611 -9.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7223 -10.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7223 -11.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6407 -10.6942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8611 -9.0754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8611 -11.5540 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5782 -10.3168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 1 5 1 6 0 0 0 6 2 1 0 0 0 0 7 4 1 0 0 0 0 2 8 1 1 0 0 0 9 5 2 0 0 0 0 3 10 1 6 0 0 0 11 5 1 0 0 0 0 4 8 1 1 0 0 0 7 6 2 0 0 0 0 M END > AA012 > diendo-3-Amino-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid > 88330-29-4 > MFCD00143119 > <100mg> 65 > <250mg> 120 > <500mg> 210 > <1g> 360 > <2.5g> 720 > <5g> 1300 > Racemic $$$$ Marvin 08131001042D 13 14 0 0 0 0 999 V2000 7.7028 6.7030 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4154 5.9281 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0529 7.2112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5988 5.9614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4985 6.9280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3739 6.7530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6984 7.7278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8778 5.2408 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0901 6.3531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0281 5.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5740 6.9530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2241 5.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9991 6.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 1 5 1 1 0 0 0 6 3 1 0 0 0 0 7 5 2 0 0 0 0 2 8 1 1 0 0 0 9 5 1 0 0 0 0 10 4 1 0 0 0 0 11 6 1 0 0 0 0 12 10 2 0 0 0 0 13 11 2 0 0 0 0 4 6 2 0 0 0 0 12 13 1 0 0 0 0 M END > AA014 > cis-1-Amino-indan-2-carboxylic acid > 135053-20-2 > MFCD09260354 > <100mg> 55 > <250mg> 105 > <500mg> 180 > <1g> 310 > <2.5g> 620 > <5g> 1120 > Racemic $$$$ Marvin 08131001042D 14 14 0 0 0 0 999 V2000 6.7535 -2.0128 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4666 -2.7863 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1048 -1.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6515 -2.7488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5478 -1.7882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4269 -1.9629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7474 -0.9898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 -3.4724 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1383 -2.3621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5980 -2.7738 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.0818 -3.3477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6285 -1.7633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 -3.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0546 -2.3621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 1 5 1 1 0 0 0 6 3 1 0 0 0 0 7 5 2 0 0 0 0 2 8 1 1 0 0 0 9 5 1 0 0 0 0 11 4 1 0 0 0 0 12 6 1 0 0 0 0 13 11 2 0 0 0 0 14 12 2 0 0 0 0 4 6 2 0 0 0 0 13 14 1 0 0 0 0 M END > AA014-1 > cis-1-Amino-indan-2-carboxylic acid hydrochloride > 135053-09-7 > MFCD05863564 > <100mg> 55 > <250mg> 105 > <500mg> 180 > <1g> 310 > <2.5g> 620 > <5g> 1120 > Racemic > HCl $$$$ Marvin 08131001042D 17 17 0 0 0 0 999 V2000 6.1167 -11.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 -9.1375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1250 -10.3875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1250 -8.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 -9.9625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8250 -11.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3917 -11.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1250 -7.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5417 -11.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9750 -9.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9750 -9.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8417 -9.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6917 -8.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6917 -10.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2542 -11.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5500 -10.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2542 -10.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 1 0 0 0 0 2 4 1 1 0 0 0 5 3 1 1 0 0 0 6 1 1 0 0 0 0 7 1 2 0 0 0 0 8 4 2 0 0 0 0 9 6 1 0 0 0 0 10 11 2 0 0 0 0 11 14 1 0 0 0 0 12 4 1 0 0 0 0 13 2 1 0 0 0 0 14 5 1 0 0 0 0 15 9 1 0 0 0 0 16 9 1 0 0 0 0 17 9 1 0 0 0 0 13 10 1 0 0 0 0 M END > AA062 > cis-6-tert-Butoxycarbonylamino-cyclohex-3-enecarboxylic acid > 63216-52-4 > MFCD02682627 > <250mg> 50 > <500mg> 90 > <1g> 150 > <2.5g> 300 > <5g> 540 > Racemic $$$$ Marvin 08131001042D 17 17 0 0 0 0 999 V2000 6.1250 -11.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 -9.1292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1250 -10.3667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1250 -8.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 -9.9542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8417 -11.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4125 -11.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1250 -7.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5542 -11.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -9.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -9.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8375 -9.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6917 -8.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6917 -10.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2667 -11.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5500 -10.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2667 -10.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 1 0 0 0 0 2 4 1 1 0 0 0 5 3 1 6 0 0 0 6 1 1 0 0 0 0 7 1 2 0 0 0 0 8 4 2 0 0 0 0 9 6 1 0 0 0 0 10 11 2 0 0 0 0 11 14 1 0 0 0 0 12 4 1 0 0 0 0 13 2 1 0 0 0 0 14 5 1 0 0 0 0 15 9 1 0 0 0 0 16 9 1 0 0 0 0 17 9 1 0 0 0 0 13 10 1 0 0 0 0 M END > AA063 > trans-6-tert-Butoxycarbonylamino-cyclohex-3-enecarboxylic acid > 865689-24-3 > MFCD02682629 > <250mg> 55 > <500mg> 100 > <1g> 165 > <2.5g> 330 > <5g> 595 > Racemic $$$$ Marvin 08131001042D 18 19 0 0 0 0 999 V2000 6.1169 -10.2629 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1169 -11.0896 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4112 -9.8496 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8266 -12.3297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8308 -11.5030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4112 -11.4988 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8308 -9.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6158 -10.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5406 -12.7431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7014 -10.2629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1043 -12.7305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7014 -11.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8308 -9.0354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2588 -12.3297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5448 -10.2712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9728 -12.7431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2588 -11.5030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9728 -11.9163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 2 5 1 6 0 0 0 6 2 1 0 0 0 0 1 7 1 6 0 0 0 3 8 1 1 0 0 0 9 4 1 0 0 0 0 10 3 1 0 0 0 0 11 4 2 0 0 0 0 12 10 1 0 0 0 0 13 7 2 0 0 0 0 14 9 1 0 0 0 0 15 7 1 0 0 0 0 16 14 1 0 0 0 0 17 14 1 0 0 0 0 18 14 1 0 0 0 0 6 8 1 1 0 0 0 6 12 1 0 0 0 0 M END > AA064 > diendo-3-tert-Butoxycarbonylamino-bicyclo[2.2.1]heptane-2-carboxylic acid > 1212306-15-4 > MFCD02682611 > <100mg> 85 > <250mg> 165 > <500mg> 290 > <1g> 500 > <2.5g> 1000 > <5g> 1800 > Racemic $$$$ Marvin 08131001042D 18 19 0 0 0 0 999 V2000 5.4319 -9.6785 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4319 -10.5035 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7240 -9.2639 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1438 -11.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1480 -10.9181 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7240 -10.9097 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1480 -9.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9293 -10.0554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8599 -12.1619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0121 -9.6785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4193 -12.1536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0121 -10.5035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1480 -8.4430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5803 -11.7515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8641 -9.6785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2964 -12.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5803 -10.9223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2964 -11.3327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 2 5 1 1 0 0 0 6 2 1 0 0 0 0 1 7 1 1 0 0 0 3 8 1 1 0 0 0 9 4 1 0 0 0 0 10 3 1 0 0 0 0 11 4 2 0 0 0 0 12 10 1 0 0 0 0 13 7 2 0 0 0 0 14 9 1 0 0 0 0 15 7 1 0 0 0 0 16 14 1 0 0 0 0 17 14 1 0 0 0 0 18 14 1 0 0 0 0 6 8 1 1 0 0 0 6 12 1 0 0 0 0 M END > AA065 > diexo-3-tert-Butoxycarbonylamino-bicyclo[2.2.1]heptane-2-carboxylic acid > 1212373-01-7 > MFCD02682613 > <250mg> 50 > <500mg> 100 > <1g> 200 > <2.5g> 500 > <5g> 1000 > Racemic $$$$ Marvin 08131001042D 18 19 0 0 0 0 999 V2000 5.4319 -9.6785 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4319 -10.5035 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7240 -9.2639 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1438 -11.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7240 -10.9097 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1480 -10.9181 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1480 -9.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0121 -9.6785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0121 -10.5035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9293 -10.0554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8599 -12.1619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4193 -12.1536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1480 -8.4430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5803 -11.7515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8641 -9.6785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2964 -12.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5803 -10.9223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2964 -11.3327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 6 1 0 0 0 0 5 2 1 0 0 0 0 2 6 1 6 0 0 0 1 7 1 6 0 0 0 8 3 1 0 0 0 0 9 8 2 0 0 0 0 3 10 1 1 0 0 0 11 4 1 0 0 0 0 12 4 2 0 0 0 0 13 7 2 0 0 0 0 14 11 1 0 0 0 0 15 7 1 0 0 0 0 16 14 1 0 0 0 0 17 14 1 0 0 0 0 18 14 1 0 0 0 0 5 10 1 1 0 0 0 5 9 1 0 0 0 0 M END > AA066 > diendo-3-tert-Butoxycarbonylamino-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid > 148257-12-9 > MFCD02682615 > <100mg> 80 > <250mg> 160 > <500mg> 275 > <1g> 470 > <2.5g> 940 > <5g> 1695 > Racemic $$$$ Marvin 08131001042D 18 19 0 0 0 0 999 V2000 5.4319 -9.6785 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4319 -10.5035 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7240 -9.2639 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1438 -11.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7240 -10.9097 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1480 -10.9181 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1480 -9.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0121 -9.6785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0121 -10.5035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9293 -10.0554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8599 -12.1619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4193 -12.1536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1480 -8.4430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5803 -11.7515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8641 -9.6785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2964 -12.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5803 -10.9223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2964 -11.3327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 6 1 0 0 0 0 5 2 1 0 0 0 0 2 6 1 1 0 0 0 1 7 1 1 0 0 0 8 3 1 0 0 0 0 9 8 2 0 0 0 0 3 10 1 1 0 0 0 11 4 1 0 0 0 0 12 4 2 0 0 0 0 13 7 2 0 0 0 0 14 11 1 0 0 0 0 15 7 1 0 0 0 0 16 14 1 0 0 0 0 17 14 1 0 0 0 0 18 14 1 0 0 0 0 5 10 1 1 0 0 0 5 9 1 0 0 0 0 M END > AA067 > diexo-3-tert-Butoxycarbonylamino-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid > 148257-06-1 > MFCD02682617 > <100mg> 90 > <250mg> 175 > <500mg> 305 > <1g> 525 > <2.5g> 1050 > <5g> 1890 > Racemic $$$$ Marvin 08131001042D 12 12 0 0 0 0 999 V2000 6.4167 6.4792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1375 6.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4167 5.6542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1417 7.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8500 6.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1375 5.2417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7042 6.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7042 5.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 6.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2750 6.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 9 1 0 0 0 0 6 5 2 0 0 0 0 7 2 1 0 0 0 0 3 8 1 6 0 0 0 9 1 1 0 0 0 0 10 3 1 0 0 0 0 11 7 1 0 0 0 0 12 11 1 0 0 0 0 6 10 1 0 0 0 0 M END > AA068 > trans-6-Amino-cyclohex-3-enecarboxylic acid ethyl ester > 126474-24-6 > MFCD09260358 > <100mg> 75 > <250mg> 140 > <500mg> 245 > <1g> 415 > <2.5g> 830 > <5g> 1495 > Racemic $$$$ Marvin 08131001042D 13 12 0 0 0 0 999 V2000 5.4042 -2.5375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1250 -2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 -3.3625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1292 -1.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -3.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8375 -2.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1250 -3.7750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6917 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0250 -3.5875 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6917 -3.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5417 -2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2625 -2.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 9 1 0 0 0 0 6 5 2 0 0 0 0 7 2 1 0 0 0 0 3 8 1 6 0 0 0 9 1 1 0 0 0 0 11 3 1 0 0 0 0 12 7 1 0 0 0 0 13 12 1 0 0 0 0 6 11 1 0 0 0 0 M END > AA068-1 > trans-6-Amino-cyclohex-3-enecarboxylic acid ethyl ester hydrochloride > 142547-16-8 > MFCD01863252 > <100mg> 55 > <250mg> 100 > <500mg> 175 > <1g> 300 > <2.5g> 600 > <5g> 1080 > Racemic > HCl $$$$ Marvin 08131001042D 12 12 0 0 0 0 999 V2000 6.4250 6.4792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1375 6.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4250 5.6542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1417 7.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8542 6.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1375 5.2417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7042 6.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7042 5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5667 6.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2792 6.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 9 1 0 0 0 0 6 5 2 0 0 0 0 7 2 1 0 0 0 0 3 8 1 1 0 0 0 9 1 1 0 0 0 0 10 3 1 0 0 0 0 11 7 1 0 0 0 0 12 11 1 0 0 0 0 6 10 1 0 0 0 0 M END > AA069 > cis-6-Amino-cyclohex-3-enecarboxylic acid ethyl ester > 57266-62-3 > MFCD09260359 > <100mg> 55 > <250mg> 105 > <500mg> 180 > <1g> 310 > <2.5g> 620 > <5g> 1120 > Racemic $$$$ Marvin 08131001042D 13 12 0 0 0 0 999 V2000 5.4116 -2.5410 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1251 -2.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4116 -3.3671 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1334 -1.3018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9847 -2.5410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9847 -3.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8469 -2.5410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1251 -3.7802 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6939 -2.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0652 -3.4965 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6939 -3.7719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5604 -2.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2738 -2.5410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 9 1 0 0 0 0 6 5 2 0 0 0 0 7 2 1 0 0 0 0 3 8 1 1 0 0 0 9 1 1 0 0 0 0 11 3 1 0 0 0 0 12 7 1 0 0 0 0 13 12 1 0 0 0 0 6 11 1 0 0 0 0 M END > AA069-1 > cis-6-Amino-cyclohex-3-enecarboxylic acid ethyl ester hydrochloride > 57266-61-2 > MFCD00144281 > <100mg> 55 > <250mg> 105 > <500mg> 180 > <1g> 310 > <2.5g> 620 > <5g> 1120 > Racemic > HCl $$$$ Marvin 08131001042D 13 14 0 0 0 0 999 V2000 5.4280 -10.2867 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7207 -9.8724 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4280 -11.1153 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1436 -9.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7207 -11.5254 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9258 -10.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0092 -10.2867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0092 -11.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1519 -9.0563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1436 -11.5297 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8592 -10.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5749 -9.8850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2905 -10.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 1 4 1 6 0 0 0 5 3 1 0 0 0 0 2 6 1 1 0 0 0 7 2 1 0 0 0 0 8 5 1 0 0 0 0 9 4 2 0 0 0 0 3 10 1 6 0 0 0 11 4 1 0 0 0 0 12 11 1 0 0 0 0 13 12 1 0 0 0 0 5 6 1 1 0 0 0 8 7 1 0 0 0 0 M END > AA076 > diendo-3-Amino-bicyclo[2.2.1]heptane-2-carboxylic acid ethyl ester > 95630-77-6 > MFCD09260360 > <100mg> 85 > <250mg> 165 > <500mg> 290 > <1g> 500 > <2.5g> 1000 > <5g> 1800 > Racemic $$$$ Marvin 08131001042D 14 14 0 0 0 0 999 V2000 5.4280 -10.2867 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7207 -9.8724 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4280 -11.1153 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1436 -9.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7207 -11.5254 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9258 -10.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0092 -10.2867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0092 -11.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1519 -9.0563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1436 -11.5297 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8592 -10.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6209 -11.5673 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.5749 -9.8850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2905 -10.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 1 4 1 6 0 0 0 5 3 1 0 0 0 0 2 6 1 1 0 0 0 7 2 1 0 0 0 0 8 5 1 0 0 0 0 9 4 2 0 0 0 0 3 10 1 6 0 0 0 11 4 1 0 0 0 0 13 11 1 0 0 0 0 14 13 1 0 0 0 0 5 6 1 1 0 0 0 8 7 1 0 0 0 0 M END > AA076-1 > diendo-3-Amino-bicyclo[2.2.1]heptane-2-carboxylic acid ethyl ester hydrochloride > 95630-76-5 > MFCD00144271 > <100mg> 85 > <250mg> 160 > <500mg> 280 > <1g> 480 > <2.5g> 960 > <5g> 1730 > Racemic > HCl $$$$ Marvin 08131001042D 13 14 0 0 0 0 999 V2000 5.4280 -10.2867 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7207 -9.8724 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4280 -11.1153 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1436 -9.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7207 -11.5254 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9258 -10.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0092 -10.2867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0092 -11.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1519 -9.0563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1436 -11.5297 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8592 -10.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5749 -9.8850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2905 -10.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 1 4 1 1 0 0 0 5 3 1 0 0 0 0 2 6 1 1 0 0 0 7 2 1 0 0 0 0 8 5 1 0 0 0 0 9 4 2 0 0 0 0 3 10 1 1 0 0 0 11 4 1 0 0 0 0 12 11 1 0 0 0 0 13 12 1 0 0 0 0 5 6 1 1 0 0 0 8 7 1 0 0 0 0 M END > AA077 > diexo-3-Amino-bicyclo[2.2.1]heptane-2-carboxylic acid ethyl ester > 105786-35-4 > MFCD09260361 > <100mg> 80 > <250mg> 160 > <500mg> 275 > <1g> 470 > <2.5g> 940 > <5g> 1695 > Racemic $$$$ Marvin 08131001042D 14 14 0 0 0 0 999 V2000 5.4280 -10.2867 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7207 -9.8724 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4280 -11.1153 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1436 -9.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7207 -11.5254 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9258 -10.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0092 -10.2867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0092 -11.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1519 -9.0563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1436 -11.5297 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8592 -10.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5246 -11.6008 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.5749 -9.8850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2905 -10.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 1 4 1 1 0 0 0 5 3 1 0 0 0 0 2 6 1 1 0 0 0 7 2 1 0 0 0 0 8 5 1 0 0 0 0 9 4 2 0 0 0 0 3 10 1 1 0 0 0 11 4 1 0 0 0 0 13 11 1 0 0 0 0 14 13 1 0 0 0 0 5 6 1 1 0 0 0 8 7 1 0 0 0 0 M END > AA077-1 > diexo-3-Amino-bicyclo[2.2.1]heptane-2-carboxylic acid ethyl ester hydrochloride > 95630-75-4 > MFCD00144273 > <100mg> 80 > <250mg> 155 > <500mg> 270 > <1g> 460 > <2.5g> 920 > <5g> 1660 > Racemic > HCl $$$$ Marvin 08131001042D 13 14 0 0 0 0 999 V2000 5.4280 -10.2867 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7207 -9.8724 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4280 -11.1153 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7207 -11.5254 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1436 -9.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0092 -10.2867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0092 -11.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9258 -10.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1519 -9.0563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1436 -11.5297 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8592 -10.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5749 -9.8850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2905 -10.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 1 5 1 6 0 0 0 6 2 1 0 0 0 0 7 4 1 0 0 0 0 2 8 1 1 0 0 0 9 5 2 0 0 0 0 3 10 1 6 0 0 0 11 5 1 0 0 0 0 12 11 1 0 0 0 0 13 12 1 0 0 0 0 4 8 1 1 0 0 0 7 6 2 0 0 0 0 M END > AA078 > diendo-3-Amino-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid ethyl ester > 105786-34-3 > MFCD09260362 > <100mg> 70 > <250mg> 135 > <500mg> 235 > <1g> 400 > <2.5g> 800 > <5g> 1440 > Racemic $$$$ Marvin 08131001042D 14 14 0 0 0 0 999 V2000 5.4280 -10.2867 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7207 -9.8724 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4280 -11.1153 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7207 -11.5254 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1436 -9.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0092 -10.2867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0092 -11.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9258 -10.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1519 -9.0563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1436 -11.5297 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8592 -10.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8092 -11.6301 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.5749 -9.8850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2905 -10.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 1 5 1 6 0 0 0 6 2 1 0 0 0 0 7 4 1 0 0 0 0 2 8 1 1 0 0 0 9 5 2 0 0 0 0 3 10 1 6 0 0 0 11 5 1 0 0 0 0 13 11 1 0 0 0 0 14 13 1 0 0 0 0 4 8 1 1 0 0 0 7 6 2 0 0 0 0 M END > AA078-1 > diendo-3-Amino-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid ethyl ester hydrochloride > 95630-74-3 > MFCD00144270 > <100mg> 65 > <250mg> 120 > <500mg> 210 > <1g> 360 > <2.5g> 720 > <5g> 1300 > Racemic > HCl $$$$ Marvin 08131001042D 13 14 0 0 0 0 999 V2000 5.4280 -10.2867 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7207 -9.8724 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4280 -11.1153 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7207 -11.5254 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1436 -9.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0092 -10.2867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0092 -11.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9258 -10.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1519 -9.0563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1436 -11.5297 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8592 -10.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5749 -9.8850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2905 -10.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 1 5 1 1 0 0 0 6 2 1 0 0 0 0 7 4 1 0 0 0 0 2 8 1 1 0 0 0 9 5 2 0 0 0 0 3 10 1 1 0 0 0 11 5 1 0 0 0 0 12 11 1 0 0 0 0 13 12 1 0 0 0 0 4 8 1 1 0 0 0 7 6 2 0 0 0 0 M END > AA079 > diexo-3-Amino-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid ethyl ester > 105786-36-5 > MFCD09260363 > <100mg> 80 > <250mg> 160 > <500mg> 275 > <1g> 470 > <2.5g> 940 > <5g> 1695 > Racemic $$$$ Marvin 08131001042D 14 14 0 0 0 0 999 V2000 5.4280 -10.2867 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7207 -9.8724 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4280 -11.1153 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7207 -11.5254 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1436 -9.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0092 -10.2867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0092 -11.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9258 -10.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1519 -9.0563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1436 -11.5297 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8592 -10.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7464 -11.6301 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.5749 -9.8850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2905 -10.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 1 5 1 1 0 0 0 6 2 1 0 0 0 0 7 4 1 0 0 0 0 2 8 1 1 0 0 0 9 5 2 0 0 0 0 3 10 1 1 0 0 0 11 5 1 0 0 0 0 13 11 1 0 0 0 0 14 13 1 0 0 0 0 4 8 1 1 0 0 0 7 6 2 0 0 0 0 M END > AA079-1 > diexo-3-Amino-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid ethyl ester hydrochloride > 104770-18-5 > MFCD00144272 > <100mg> 75 > <250mg> 145 > <500mg> 250 > <1g> 425 > <2.5g> 850 > <5g> 1530 > Racemic > HCl $$$$ Marvin 08131001042D 11 12 0 0 0 0 999 V2000 6.1440 -10.3084 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4352 -9.8932 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6407 -10.6942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4352 -11.5497 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1440 -11.1388 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8611 -9.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7223 -10.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7223 -11.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8611 -9.0754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8611 -11.5540 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5782 -10.3168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 3 1 1 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 1 6 1 1 0 0 0 7 2 1 0 0 0 0 8 4 1 0 0 0 0 9 6 2 0 0 0 0 5 10 1 1 0 0 0 11 6 1 0 0 0 0 4 3 1 1 0 0 0 8 7 2 0 0 0 0 M END > AA118 > diexo-3-Amino-7-oxa-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid > 783340-43-2 > MFCD07783748 > <100mg> 65 > <250mg> 125 > <500mg> 215 > <1g> 365 > <2.5g> 730 > <5g> 1315 > Racemic $$$$ Marvin 08131001042D 18 19 0 0 0 0 999 V2000 5.3869 -5.5457 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3869 -6.3655 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6717 -5.1317 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8850 -5.9264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6717 -6.7796 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0895 -7.6077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0978 -6.7796 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1020 -5.1359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9648 -5.5457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9648 -6.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8047 -8.0217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3743 -8.0217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1020 -4.3078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5282 -7.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8130 -5.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2433 -8.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5282 -6.7879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3228 -7.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 3 4 1 1 0 0 0 5 2 1 0 0 0 0 6 7 1 0 0 0 0 2 7 1 1 0 0 0 1 8 1 1 0 0 0 9 3 1 0 0 0 0 10 9 2 0 0 0 0 11 6 1 0 0 0 0 12 6 2 0 0 0 0 13 8 2 0 0 0 0 14 11 1 0 0 0 0 15 8 1 0 0 0 0 16 14 1 0 0 0 0 17 14 1 0 0 0 0 18 14 1 0 0 0 0 5 4 1 1 0 0 0 5 10 1 0 0 0 0 M END > AA119 > diexo-3-tert-Butoxycarbonylamino-7-oxa-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid > 148257-14-1 > MFCD07783749 > <250mg> 95 > <500mg> 160 > <1g> 275 > <2.5g> 550 > <5g> 990 > Racemic $$$$ Marvin 08131001042D 11 12 0 0 0 0 999 V2000 0.7358 -0.8198 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0252 -0.4036 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2313 -1.2025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7358 -1.6439 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0252 -2.0602 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4547 -0.4079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6895 -0.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6895 -1.6439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4547 0.4246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4547 -2.0602 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1737 -0.8241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 3 1 1 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 1 6 1 1 0 0 0 7 2 1 0 0 0 0 8 5 1 0 0 0 0 9 6 2 0 0 0 0 4 10 1 1 0 0 0 11 6 1 0 0 0 0 5 3 1 1 0 0 0 8 7 1 0 0 0 0 M END > AA120 > diexo-3-Amino-7-oxa-bicyclo[2.2.1]heptane-2-carboxylic acid > 4576-30-1 > MFCD07783750 > <250mg> 95 > <500mg> 165 > <1g> 280 > <2.5g> 560 > <5g> 1010 > Racemic $$$$ Marvin 08131001042D 18 19 0 0 0 0 999 V2000 5.4394 -5.5610 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4394 -6.3830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7306 -5.1458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9361 -5.9427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1523 -7.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7306 -6.7982 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1565 -6.7982 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1565 -5.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8695 -8.0437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0177 -5.5610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4268 -8.0437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0177 -6.3830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1565 -4.3197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5908 -7.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8737 -5.5652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3080 -8.0521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5908 -6.8065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3080 -7.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 3 4 1 1 0 0 0 5 7 1 0 0 0 0 6 2 1 0 0 0 0 2 7 1 1 0 0 0 1 8 1 1 0 0 0 9 5 1 0 0 0 0 10 3 1 0 0 0 0 11 5 2 0 0 0 0 12 10 1 0 0 0 0 13 8 2 0 0 0 0 14 9 1 0 0 0 0 15 8 1 0 0 0 0 16 14 1 0 0 0 0 17 14 1 0 0 0 0 18 14 1 0 0 0 0 6 4 1 1 0 0 0 6 12 1 0 0 0 0 M END > AA121 > diexo-3-tert-Butoxycarbonylamino-7-oxa-bicyclo[2.2.1]heptane-2-carboxylic acid > 1212286-70-8 > MFCD07783751 > <100mg> 75 > <250mg> 140 > <500mg> 245 > <1g> 420 > <2.5g> 840 > <5g> 1515 > Racemic $$$$ Marvin 08131001042D 16 16 0 0 0 0 999 V2000 6.0542 -7.4780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3528 -5.3987 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0625 -6.6513 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0667 -4.9853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3486 -6.2379 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7557 -7.8913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3402 -7.8830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -4.1586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4780 -7.4822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7807 -5.3861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5636 -5.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5636 -6.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0751 -5.8120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1919 -7.9081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4947 -6.6638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2713 -7.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 1 0 0 0 0 2 4 1 1 0 0 0 5 3 1 1 0 0 0 6 1 1 0 0 0 0 7 1 2 0 0 0 0 8 4 2 0 0 0 0 9 6 1 0 0 0 0 10 4 1 0 0 0 0 11 2 1 0 0 0 0 12 5 1 0 0 0 0 13 12 1 0 0 0 0 14 9 1 0 0 0 0 15 9 1 0 0 0 0 16 9 1 0 0 0 0 11 13 1 0 0 0 0 M END > AA122 > cis-2-tert-Butoxycarbonylamino-cyclopentanecarboxylic acid > 136315-70-3 > MFCD00800539 > <250mg> 35 > <500mg> 60 > <1g> 95 > Racemic $$$$ Marvin 08131001042D 17 17 0 0 0 0 999 V2000 6.1294 -7.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4237 -5.3653 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1294 -6.6930 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1294 -4.9519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4237 -6.1920 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8434 -7.9331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4154 -7.9331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1169 -4.1252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5573 -7.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8434 -5.3528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7097 -4.9519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7097 -6.6054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5699 -6.7014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2713 -7.9414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3590 -7.3068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -5.3653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -6.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 1 0 0 0 0 2 4 1 1 0 0 0 5 3 1 1 0 0 0 6 1 1 0 0 0 0 7 1 2 0 0 0 0 8 4 2 0 0 0 0 9 6 1 0 0 0 0 10 4 1 0 0 0 0 11 2 1 0 0 0 0 12 5 1 0 0 0 0 13 9 1 0 0 0 0 14 9 1 0 0 0 0 15 9 1 0 0 0 0 16 17 1 0 0 0 0 17 12 1 0 0 0 0 11 16 1 0 0 0 0 M END > AA123 > cis-2-tert-Butoxycarbonylamino-cyclohexanecarboxylic acid > 63216-49-9 > MFCD01863244 > <250mg> 35 > <500mg> 60 > <1g> 100 > <2.5g> 200 > Racemic $$$$ Marvin 08131001042D 17 17 0 0 0 0 999 V2000 6.1294 -7.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4237 -5.3653 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1294 -6.6930 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1294 -4.9519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4237 -6.1920 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8434 -7.9331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4154 -7.9331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1169 -4.1252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5573 -7.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8434 -5.3528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7097 -4.9519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7097 -6.6054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5699 -6.7014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2713 -7.9414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3590 -7.3068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -5.3653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -6.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 1 0 0 0 0 2 4 1 1 0 0 0 5 3 1 6 0 0 0 6 1 1 0 0 0 0 7 1 2 0 0 0 0 8 4 2 0 0 0 0 9 6 1 0 0 0 0 10 4 1 0 0 0 0 11 2 1 0 0 0 0 12 5 1 0 0 0 0 13 9 1 0 0 0 0 14 9 1 0 0 0 0 15 9 1 0 0 0 0 16 17 1 0 0 0 0 17 12 1 0 0 0 0 11 16 1 0 0 0 0 M END > AA124 > trans-2-tert-Butoxycarbonylamino-cyclohexanecarboxylic acid > 209128-50-7 > MFCD02094138 > <250mg> 50 > <500mg> 90 > <1g> 150 > Racemic $$$$ Marvin 08131001042D 20 21 0 0 0 0 999 V2000 6.3917 -4.2875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9000 -4.9500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5875 -6.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9125 -3.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -4.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1417 -5.7292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2167 -4.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 -3.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 -7.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7792 -6.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6375 -3.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6375 -7.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6250 -5.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4125 -5.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4125 -3.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8875 -8.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1917 -6.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4292 -7.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -4.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -3.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 6 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 2 6 1 1 0 0 0 1 7 1 1 0 0 0 8 4 1 0 0 0 0 9 3 1 0 0 0 0 10 3 2 0 0 0 0 11 7 2 0 0 0 0 12 9 1 0 0 0 0 13 7 1 0 0 0 0 14 5 2 0 0 0 0 15 8 2 0 0 0 0 16 12 1 0 0 0 0 17 12 1 0 0 0 0 18 12 1 0 0 0 0 19 14 1 0 0 0 0 20 15 1 0 0 0 0 8 5 1 0 0 0 0 20 19 2 0 0 0 0 M END > AA125 > cis-1-tert-Butoxycarbonylamino-indan-2-carboxylic acid > 401843-70-7 > MFCD05863623 > <100mg> 60 > <250mg> 115 > <500mg> 200 > <1g> 340 > <2.5g> 680 > <5g> 1225 > Racemic $$$$ Marvin 08131001042D 23 24 0 0 0 0 999 V2000 6.4982 -5.7455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2127 -7.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4982 -6.5705 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7965 -5.3330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2127 -5.3330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2127 -7.0936 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0905 -5.7455 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9739 -8.4205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4344 -8.4120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2127 -4.5080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7965 -6.9831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0905 -6.5705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7394 -7.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3676 -5.3330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9272 -5.7327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4666 -8.4077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5475 -7.7613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7309 -7.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3676 -4.5080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6531 -5.7455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9514 -5.3457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6531 -4.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9472 -4.5080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 1 5 1 1 0 0 0 3 6 1 1 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 2 2 0 0 0 0 10 5 2 0 0 0 0 11 3 1 0 0 0 0 12 7 1 0 0 0 0 13 8 1 0 0 0 0 7 14 1 6 0 0 0 15 5 1 0 0 0 0 16 13 1 0 0 0 0 17 13 1 0 0 0 0 18 13 1 0 0 0 0 19 14 2 0 0 0 0 20 14 1 0 0 0 0 21 20 2 0 0 0 0 22 19 1 0 0 0 0 23 21 1 0 0 0 0 12 11 1 0 0 0 0 22 23 2 0 0 0 0 M END > AA129 > cis-2-tert-Butoxycarbonylamino-trans-5-phenyl-cyclohexanecarboxylic acid > MFCD05863627 > <100mg> 80 > <250mg> 160 > <500mg> 275 > <1g> 470 > <2.5g> 940 > <5g> 1695 > Racemic $$$$ Marvin 08131001042D 24 25 0 0 0 0 999 V2000 6.9829 -5.7581 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6931 -7.9908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9829 -6.5831 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2812 -5.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6973 -5.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6973 -7.1062 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5668 -5.7581 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4585 -8.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8523 -5.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9191 -8.4246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6973 -4.5206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2812 -6.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5668 -6.5831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2240 -7.9908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1379 -5.7581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8523 -4.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4118 -5.7454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4319 -4.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4319 -5.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1379 -4.1081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7090 -4.1081 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.9512 -8.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0321 -7.7739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2155 -7.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 1 5 1 1 0 0 0 3 6 1 1 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 7 9 1 6 0 0 0 10 2 2 0 0 0 0 11 5 2 0 0 0 0 12 3 1 0 0 0 0 13 7 1 0 0 0 0 14 8 1 0 0 0 0 15 9 1 0 0 0 0 16 9 2 0 0 0 0 17 5 1 0 0 0 0 18 20 2 0 0 0 0 19 15 2 0 0 0 0 20 16 1 0 0 0 0 21 18 1 0 0 0 0 22 14 1 0 0 0 0 23 14 1 0 0 0 0 24 14 1 0 0 0 0 13 12 1 0 0 0 0 19 18 1 0 0 0 0 M END > AA131 > cis-2-tert-Butoxycarbonylamino-trans-5-(4-chlorophenyl)-cyclohexanecarboxylic acid > MFCD05863629 > <100mg> 80 > <250mg> 160 > <500mg> 275 > <1g> 470 > <2.5g> 940 > <5g> 1695 > Racemic $$$$ Marvin 08131001042D 23 24 0 0 0 0 999 V2000 6.4982 -5.7455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2127 -7.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4982 -6.5705 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7965 -5.3330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2127 -5.3330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2127 -7.0936 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0905 -5.7455 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9739 -8.4205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4344 -8.4120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2127 -4.5080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7965 -6.9831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0905 -6.5705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7394 -7.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3676 -5.3330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9272 -5.7327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4666 -8.4077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5475 -7.7613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7309 -7.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3676 -4.5080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6531 -5.7455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9514 -5.3457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6531 -4.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9472 -4.5080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 1 5 1 1 0 0 0 3 6 1 6 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 2 2 0 0 0 0 10 5 2 0 0 0 0 11 3 1 0 0 0 0 12 7 1 0 0 0 0 13 8 1 0 0 0 0 7 14 1 6 0 0 0 15 5 1 0 0 0 0 16 13 1 0 0 0 0 17 13 1 0 0 0 0 18 13 1 0 0 0 0 19 14 2 0 0 0 0 20 14 1 0 0 0 0 21 20 2 0 0 0 0 22 19 1 0 0 0 0 23 21 1 0 0 0 0 12 11 1 0 0 0 0 22 23 2 0 0 0 0 M END > AA132 > trans-2-tert-Butoxycarbonylamino-trans-5-phenyl-cyclohexanecarboxylic acid > MFCD05863630 > <100mg> 80 > <250mg> 160 > <500mg> 275 > <1g> 470 > <2.5g> 940 > <5g> 1695 > Racemic $$$$ Marvin 08131001042D 11 11 0 0 0 0 999 V2000 6.4250 6.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1375 5.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4250 7.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8542 6.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1375 7.4667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1375 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7125 5.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4167 7.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7125 7.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 7.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 3 5 1 1 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 3 1 0 0 0 0 10 7 1 0 0 0 0 11 10 1 0 0 0 0 11 9 1 0 0 0 0 M END > AA190 > cis-2-Amino-2-methyl-cyclohexanecarboxylic acid > 791764-65-3 > MFCD09260364 > <250mg> 95 > <500mg> 170 > <1g> 285 > <2.5g> 570 > <5g> 1030 > Racemic $$$$ Marvin 08131001042D 12 11 0 0 0 0 999 V2000 5.7667 -2.7292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4792 -3.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7667 -1.9042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2000 -2.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4792 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4792 -3.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7750 -1.4917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 -3.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7625 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 -1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 3 5 1 1 0 0 0 6 2 1 0 0 0 0 8 1 1 0 0 0 0 9 3 1 0 0 0 0 10 3 1 0 0 0 0 11 8 1 0 0 0 0 12 11 1 0 0 0 0 12 10 1 0 0 0 0 M END > AA190-1 > cis-2-Amino-2-methyl-cyclohexanecarboxylic acid hydrochloride > 202921-88-8 > MFCD05863637 > <250mg> 95 > <500mg> 170 > <1g> 285 > <2.5g> 570 > <5g> 1030 > Racemic > HCl $$$$ Marvin 08131001042D 18 18 0 0 0 0 999 V2000 5.3750 -5.0292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3750 -5.8625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0542 -3.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0917 -4.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0917 -6.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7542 -3.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -3.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8167 -5.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4917 -3.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0917 -7.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3750 -4.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6542 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6542 -6.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5375 -4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1792 -3.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2042 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9500 -5.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9500 -5.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 1 4 1 1 0 0 0 2 5 1 1 0 0 0 6 3 1 0 0 0 0 7 3 2 0 0 0 0 8 5 2 0 0 0 0 9 6 1 0 0 0 0 10 5 1 0 0 0 0 11 1 1 0 0 0 0 12 1 1 0 0 0 0 13 2 1 0 0 0 0 14 9 1 0 0 0 0 15 9 1 0 0 0 0 16 9 1 0 0 0 0 17 12 1 0 0 0 0 18 17 1 0 0 0 0 13 18 1 0 0 0 0 M END > AA191 > cis-2-tert-Butoxycarbonylamino-2-methyl-cyclohexanecarboxylic acid > MFCD05863638 > <250mg> 30 > <500mg> 60 > <1g> 115 > <2.5g> 290 > <5g> 575 > Racemic $$$$ Marvin 08131001042D 10 10 0 0 0 0 999 V2000 6.2778 6.2571 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9643 5.8078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2321 7.0808 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6924 6.1822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8769 7.6008 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9185 4.9923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5082 5.9575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4333 7.3013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2321 7.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9923 6.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 3 5 1 1 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 3 1 0 0 0 0 10 7 1 0 0 0 0 8 10 1 0 0 0 0 M END > AA192 > cis-2-Amino-2-methyl-cyclopentanecarboxylic acid > 756450-21-2 > MFCD09260365 > <100mg> 65 > <250mg> 120 > <500mg> 210 > <1g> 355 > <2.5g> 710 > <5g> 1280 > Racemic $$$$ Marvin 08131001042D 11 10 0 0 0 0 999 V2000 5.7811 -2.6992 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4673 -3.1484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7312 -1.8758 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1910 -2.7741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3800 -1.3600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4174 -3.9677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0075 -2.9987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6965 -1.3642 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.9326 -1.6595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7312 -1.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4960 -2.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 3 5 1 1 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 9 3 1 0 0 0 0 10 3 1 0 0 0 0 11 7 1 0 0 0 0 9 11 1 0 0 0 0 M END > AA192-1 > cis-2-Amino-2-methyl-cyclopentanecarboxylic acid hydrochloride > 156292-34-1 > MFCD05863639 > <250mg> 40 > <500mg> 80 > <1g> 160 > <2.5g> 400 > <5g> 800 > Racemic > HCl $$$$ Marvin 08131001042D 17 17 0 0 0 0 999 V2000 5.4625 -5.2417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4667 -6.0667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0417 -3.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1292 -4.7542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1375 -6.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7042 -3.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2875 -3.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8875 -6.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4542 -3.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -7.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -4.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6792 -6.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -4.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 -5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5292 -4.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1292 -3.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2417 -4.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 1 4 1 1 0 0 0 2 5 1 1 0 0 0 6 3 1 0 0 0 0 7 3 2 0 0 0 0 8 5 2 0 0 0 0 9 6 1 0 0 0 0 10 5 1 0 0 0 0 11 1 1 0 0 0 0 12 2 1 0 0 0 0 13 1 1 0 0 0 0 14 11 1 0 0 0 0 15 9 1 0 0 0 0 16 9 1 0 0 0 0 17 9 1 0 0 0 0 14 12 1 0 0 0 0 M END > AA193 > cis-2-tert-Butoxycarbonylamino-2-methyl-cyclopentanecarboxylic acid > 1212127-10-0 > MFCD05863640 > <100mg> 70 > <250mg> 130 > <500mg> 230 > <1g> 390 > <2.5g> 780 > <5g> 1405 > Racemic $$$$ Marvin 08131001042D 21 22 0 0 1 0 999 V2000 3.9922 -5.9321 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9922 -6.7589 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2694 -6.3434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4212 -5.9321 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4212 -6.7589 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7025 -5.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7025 -7.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1233 -4.6901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1357 -5.5126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1357 -7.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8336 -4.2664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4087 -4.2788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8461 -6.7589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5523 -4.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5590 -6.7589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5590 -5.9321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1357 -7.9885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4087 -5.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2544 -4.2414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5565 -5.4877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2626 -5.0764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 1 3 1 1 0 0 0 4 6 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 9 1 0 0 0 0 4 9 1 6 0 0 0 5 10 1 6 0 0 0 11 8 1 0 0 0 0 12 8 2 0 0 0 0 13 10 2 0 0 0 0 14 11 1 0 0 0 0 15 3 1 0 0 0 0 16 3 1 0 0 0 0 17 10 1 0 0 0 0 18 4 1 0 0 0 0 19 14 1 0 0 0 0 20 14 1 0 0 0 0 21 14 1 0 0 0 0 2 3 1 1 0 0 0 7 5 1 0 0 0 0 M END > AA194 > (1R,3R,4S,6S)-4-tert-Butoxycarbonylamino-4,7,7-trimethyl-bicyclo[4.1.0]heptane-3-carboxylic acid > 654680-62-3 > MFCD05863641 > <100mg> 100 > <250mg> 195 > <500mg> 340 > <1g> 580 > <2.5g> 1160 > <5g> 2090 > Chiral $$$$ Marvin 08131001042D 15 16 0 0 1 0 999 V2000 5.4780 -5.3903 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4780 -4.5636 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7641 -4.1628 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0501 -4.5636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0501 -5.3903 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7641 -5.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7515 -4.9770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1920 -5.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1920 -6.6304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1920 -4.1628 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9060 -5.3903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4655 -3.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2484 -4.7766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8329 -3.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6325 -5.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 5 7 1 1 0 0 0 1 8 1 1 0 0 0 9 8 2 0 0 0 0 2 10 1 1 0 0 0 11 8 1 0 0 0 0 12 2 1 0 0 0 0 13 4 1 0 0 0 0 14 4 1 0 0 0 0 15 11 1 0 0 0 0 3 7 1 1 0 0 0 3 4 1 0 0 0 0 M END > AA197 > (1R,2R,3S,5R)-2-Amino-2,6,6-trimethyl-bicyclo[3.1.1]heptane-3-carboxylic acid methyl ester > 705949-02-6 > MFCD09260366 > <100mg> 100 > <250mg> 195 > <500mg> 340 > <1g> 580 > <2.5g> 1160 > <5g> 2090 > Chiral $$$$ Marvin 08131001042D 16 16 0 0 1 0 999 V2000 5.4780 -5.3903 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4780 -4.5636 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7641 -4.1628 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0459 -4.5636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0501 -5.3903 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7641 -5.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7515 -4.9770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1920 -5.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1920 -6.6304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1920 -4.1628 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9060 -5.3903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4655 -3.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2442 -4.7766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8246 -3.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6346 -4.6596 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.6325 -5.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 5 7 1 1 0 0 0 1 8 1 1 0 0 0 9 8 2 0 0 0 0 2 10 1 1 0 0 0 11 8 1 0 0 0 0 12 2 1 0 0 0 0 13 4 1 0 0 0 0 14 4 1 0 0 0 0 16 11 1 0 0 0 0 3 7 1 1 0 0 0 3 4 1 0 0 0 0 M END > AA197-1 > (1R,2R,3S,5R)-2-Amino-2,6,6-trimethyl-bicyclo[3.1.1]heptane-3-carboxylic acid methyl ester hydrochloride > 705949-01-5 > MFCD05863644 > <100mg> 30 > <250mg> 75 > <500mg> 150 > <1g> 300 > <2.5g> 750 > <5g> 1500 > Chiral > HCl $$$$ Marvin 08131001042D 15 16 0 0 1 0 999 V2000 5.4780 -5.3903 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4780 -4.5636 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7641 -4.1628 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0501 -4.5636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0501 -5.3903 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7641 -5.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7641 -4.9770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1920 -5.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1920 -6.6304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1920 -4.1628 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9060 -5.3903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4780 -3.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2484 -4.7766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8329 -3.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6325 -5.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 5 7 1 6 0 0 0 1 8 1 6 0 0 0 9 8 2 0 0 0 0 2 10 1 6 0 0 0 11 8 1 0 0 0 0 12 2 1 0 0 0 0 13 4 1 0 0 0 0 14 4 1 0 0 0 0 15 11 1 0 0 0 0 3 7 1 6 0 0 0 4 3 1 0 0 0 0 M END > AA198 > (1S,2S,3R,5S)-2-Amino-2,6,6-trimethyl-bicyclo[3.1.1]heptane-3-carboxylic acid methyl ester > 705949-09-3 > MFCD09260367 > <100mg> 100 > <250mg> 195 > <500mg> 340 > <1g> 580 > <2.5g> 1160 > <5g> 2090 > Chiral $$$$ Marvin 08131001042D 16 16 0 0 1 0 999 V2000 5.4780 -5.3903 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4780 -4.5636 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7641 -4.1628 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0459 -4.5636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0501 -5.3903 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7641 -5.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7641 -4.9770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1920 -5.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1920 -6.6304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1920 -4.1628 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9060 -5.3903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4780 -3.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2442 -4.7766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8246 -3.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6053 -4.7849 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.6325 -5.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 5 7 1 6 0 0 0 1 8 1 6 0 0 0 9 8 2 0 0 0 0 2 10 1 6 0 0 0 11 8 1 0 0 0 0 12 2 1 0 0 0 0 13 4 1 0 0 0 0 14 4 1 0 0 0 0 16 11 1 0 0 0 0 3 7 1 6 0 0 0 4 3 1 0 0 0 0 M END > AA198-1 > (1S,2S,3R,5S)-2-Amino-2,6,6-trimethyl-bicyclo[3.1.1]heptane-3-carboxylic acid methyl ester hydrochloride > MFCD05863645 > <100mg> 100 > <250mg> 195 > <500mg> 340 > <1g> 580 > <2.5g> 1160 > <5g> 2090 > Chiral > HCl $$$$ Marvin 08131001042D 20 22 0 0 0 0 999 V2000 6.6641 -7.9961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6727 -8.8108 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2416 -7.9961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6727 -9.6384 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0952 -9.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3840 -10.0522 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9615 -8.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2416 -8.8108 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3840 -7.5779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0952 -8.8064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8064 -10.0522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9615 -10.0522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2416 -9.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5220 -9.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2289 -10.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9401 -9.6255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2289 -10.8798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9401 -11.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6557 -10.0522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6687 -10.8755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 6 1 0 0 0 0 4 6 1 1 0 0 0 7 2 1 0 0 0 0 8 3 1 1 0 0 0 9 1 2 0 0 0 0 10 5 2 0 0 0 0 11 5 1 0 0 0 0 12 4 1 0 0 0 0 13 8 1 0 0 0 0 14 11 1 0 0 0 0 15 14 1 0 0 0 0 16 15 2 0 0 0 0 17 15 1 0 0 0 0 18 17 2 0 0 0 0 19 16 1 0 0 0 0 20 18 1 0 0 0 0 7 8 1 0 0 0 0 12 13 1 0 0 0 0 19 20 2 0 0 0 0 M END > AA297 > (1R*,2S*,5R*)-(7-Oxo-6-oxa-bicyclo[3.2.1]oct-2-yl)-carbamic acid benzyl ester > 99929-67-6 > MFCD08690224 > <100mg> 375 > <250mg> 720 > <500mg> 1265 > <1g> 2180 > Racemic $$$$ Marvin 08131001042D 23 25 0 0 0 0 999 V2000 3.6417 -8.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 -8.4625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3542 -9.2875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7792 -8.4625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7792 -9.2875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0667 -8.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0667 -9.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4917 -10.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4917 -8.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4917 -9.7042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7792 -10.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4917 -7.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2042 -10.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2042 -8.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9167 -10.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6292 -10.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9167 -8.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6417 -11.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3292 -10.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6292 -8.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0542 -10.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3625 -12.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0750 -11.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 3 1 1 1 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 10 1 0 0 0 0 4 9 1 1 0 0 0 5 10 1 1 0 0 0 11 8 2 0 0 0 0 12 9 2 0 0 0 0 13 8 1 0 0 0 0 14 9 1 0 0 0 0 15 13 1 0 0 0 0 16 15 1 0 0 0 0 17 14 1 0 0 0 0 18 16 1 0 0 0 0 19 16 2 0 0 0 0 20 17 1 0 0 0 0 21 19 1 0 0 0 0 22 18 2 0 0 0 0 23 21 2 0 0 0 0 3 2 1 0 0 0 0 4 5 1 0 0 0 0 23 22 1 0 0 0 0 M END > AA298 > all-cis-4-Benzyloxycarbonylamino-7-oxa-bicyclo[4.1.0]heptane-3-carboxylic acid ethyl ester > 1036760-06-1 > MFCD08669698 > <100mg> 215 > <250mg> 415 > <500mg> 725 > <1g> 1245 > <2.5g> 2490 > Racemic $$$$ Marvin 08131001042D 20 22 0 0 0 0 999 V2000 6.6387 -7.9707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6516 -8.7957 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2207 -7.9707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6516 -9.6207 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0695 -9.6035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3649 -10.0332 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9340 -8.3703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2250 -8.7957 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3520 -7.5453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0352 -8.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7828 -9.9902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9340 -10.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2250 -9.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4875 -9.5520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2008 -9.9387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8969 -9.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2395 -10.7551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9614 -11.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6317 -9.8785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6575 -10.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 6 1 0 0 0 0 4 6 1 6 0 0 0 7 2 1 0 0 0 0 8 3 1 1 0 0 0 9 1 2 0 0 0 0 10 5 2 0 0 0 0 11 5 1 0 0 0 0 12 4 1 0 0 0 0 13 8 1 0 0 0 0 14 11 1 0 0 0 0 15 14 1 0 0 0 0 16 15 2 0 0 0 0 17 15 1 0 0 0 0 18 17 2 0 0 0 0 19 16 1 0 0 0 0 20 18 1 0 0 0 0 7 8 1 0 0 0 0 12 13 1 0 0 0 0 19 20 2 0 0 0 0 M END > AA299 > (1R*,2R*,5R*)-(7-Oxo-6-oxa-bicyclo[3.2.1]oct-2-yl)-carbamic acid benzyl ester > 935470-08-9 > MFCD08690225 > <100mg> 440 > <250mg> 855 > <500mg> 1500 > <1g> 2580 > Racemic $$$$ Marvin 08131001042D 22 24 0 0 0 0 999 V2000 5.4292 -10.5375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0167 -11.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 -10.5375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6917 -9.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0167 -9.2667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3542 -9.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4792 -9.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 -8.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0792 -10.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 -10.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -8.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8625 -9.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7292 -8.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4667 -10.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2417 -10.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7292 -7.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4250 -9.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8542 -10.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4417 -6.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6417 -10.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2292 -9.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8250 -9.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 3 1 0 0 0 0 4 7 1 1 0 0 0 5 8 1 1 0 0 0 9 7 1 0 0 0 0 10 9 2 0 0 0 0 11 8 2 0 0 0 0 12 9 1 0 0 0 0 13 8 1 0 0 0 0 14 12 1 0 0 0 0 15 14 1 0 0 0 0 16 13 1 0 0 0 0 17 15 1 0 0 0 0 18 15 2 0 0 0 0 19 16 1 0 0 0 0 20 18 1 0 0 0 0 21 17 2 0 0 0 0 22 20 2 0 0 0 0 3 2 1 1 0 0 0 6 5 1 0 0 0 0 22 21 1 0 0 0 0 M END > AA300 > all-cis-2-Benzyloxycarbonylamino-6-oxa-bicyclo[3.1.0]hexane-3-carboxylic acid ethyl ester > 959745-76-7 > MFCD08669699 > <100mg> 215 > <250mg> 415 > <500mg> 725 > <1g> 1245 > <2.5g> 2490 > Racemic $$$$ Marvin 08131001042D 21 22 0 0 0 0 999 V2000 6.4884 -8.4842 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4884 -9.3110 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2024 -8.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2024 -10.5510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2024 -9.7243 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7744 -8.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4759 -10.9644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2024 -7.2442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9164 -10.9519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7744 -9.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9164 -8.4842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0605 -8.4842 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6220 -10.5260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0605 -9.3110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3360 -10.9268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3465 -8.0709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3485 -11.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0375 -10.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7640 -10.9017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0750 -12.1543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7890 -11.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 1 3 1 1 0 0 0 4 5 1 0 0 0 0 2 5 1 1 0 0 0 6 1 1 0 0 0 0 7 4 2 0 0 0 0 8 3 2 0 0 0 0 9 4 1 0 0 0 0 10 2 1 0 0 0 0 11 3 1 0 0 0 0 12 6 1 0 0 0 0 13 9 1 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 12 16 1 1 0 0 0 17 15 1 0 0 0 0 18 15 2 0 0 0 0 19 18 1 0 0 0 0 20 17 2 0 0 0 0 21 19 2 0 0 0 0 10 14 1 0 0 0 0 21 20 1 0 0 0 0 M END > AA301 > (1R*,2S*,5R*)-2-Benzyloxycarbonylamino-5-hydroxy-cyclohexanecarboxylic acid > 1212264-04-4 > MFCD08690227 > <100mg> 485 > <250mg> 940 > <500mg> 1655 > <1g> 2845 > Racemic $$$$ Marvin 08131001042D 21 22 0 0 0 0 999 V2000 6.4756 -8.4633 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4756 -9.2884 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1882 -10.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1882 -9.7134 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1924 -8.0550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7630 -9.7009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7630 -8.0508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4631 -10.9427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1924 -7.2257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8924 -10.9385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0505 -9.2884 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9007 -8.4675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0505 -8.4633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6050 -10.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3051 -10.9427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3379 -9.7134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0301 -10.5260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3051 -11.7761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0301 -12.1804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7427 -10.9427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7427 -11.7761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 2 4 1 1 0 0 0 1 5 1 1 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 3 2 0 0 0 0 9 5 2 0 0 0 0 10 3 1 0 0 0 0 11 13 1 0 0 0 0 12 5 1 0 0 0 0 13 7 1 0 0 0 0 14 10 1 0 0 0 0 15 14 1 0 0 0 0 11 16 1 1 0 0 0 17 15 2 0 0 0 0 18 15 1 0 0 0 0 19 18 2 0 0 0 0 20 17 1 0 0 0 0 21 19 1 0 0 0 0 6 11 1 0 0 0 0 20 21 2 0 0 0 0 M END > AA302 > (1R*,2S*,4S*)-2-Benzyloxycarbonylamino-4-hydroxy-cyclohexanecarboxylic acid > MFCD08669702 > <100mg> 485 > <250mg> 940 > <500mg> 1655 > <1g> 2845 > Racemic $$$$ Marvin 08131001042D 21 22 0 0 0 0 999 V2000 6.4734 -8.4646 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4734 -9.2894 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1899 -8.0522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1857 -10.5266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1899 -9.7101 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7611 -8.0480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4526 -10.9265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1899 -7.2232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8731 -10.9390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7611 -9.6976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9023 -8.4646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0488 -8.4646 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6021 -10.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0488 -9.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2894 -10.9765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3364 -8.0522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2769 -11.8096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0142 -10.5766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7266 -11.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9767 -12.2387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7016 -11.8388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 1 3 1 1 0 0 0 4 5 1 0 0 0 0 2 5 1 6 0 0 0 6 1 1 0 0 0 0 7 4 2 0 0 0 0 8 3 2 0 0 0 0 9 4 1 0 0 0 0 10 2 1 0 0 0 0 11 3 1 0 0 0 0 12 6 1 0 0 0 0 13 9 1 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 12 16 1 1 0 0 0 17 15 1 0 0 0 0 18 15 2 0 0 0 0 19 18 1 0 0 0 0 20 17 2 0 0 0 0 21 19 2 0 0 0 0 10 14 1 0 0 0 0 21 20 1 0 0 0 0 M END > AA303 > (1R*,2R*,5R*)-2-Benzyloxycarbonylamino-5-hydroxy-cyclohexanecarboxylic acid > 1212138-76-5 > MFCD08690228 > <100mg> 485 > <250mg> 940 > <500mg> 1655 > <1g> 2845 > Racemic $$$$ Marvin 08131001042D 33 35 0 0 0 0 999 V2000 4.7042 -8.4625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.5625 -8.4625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5625 -9.2875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2750 -10.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2750 -8.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4167 -8.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2750 -9.7042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -8.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1125 -9.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -7.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8417 -8.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1375 -8.4625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5625 -10.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2750 -7.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9875 -10.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8417 -9.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2750 -8.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9792 -9.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9875 -8.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1375 -9.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6917 -10.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 -8.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2625 -10.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 -9.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4042 -10.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7000 -8.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 -10.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4292 -11.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1167 -10.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4125 -8.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1542 -12.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8417 -10.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8542 -11.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 11 1 0 0 0 0 3 16 1 0 0 0 0 4 7 1 0 0 0 0 2 5 1 1 0 0 0 6 1 1 0 0 0 0 3 7 1 1 0 0 0 8 1 1 0 0 0 0 9 1 2 0 0 0 0 10 1 2 0 0 0 0 11 12 1 0 0 0 0 12 6 1 1 0 0 0 13 4 2 0 0 0 0 14 5 2 0 0 0 0 15 4 1 0 0 0 0 16 20 1 0 0 0 0 17 8 1 0 0 0 0 18 8 2 0 0 0 0 19 5 1 0 0 0 0 20 12 1 0 0 0 0 21 15 1 0 0 0 0 22 17 2 0 0 0 0 23 18 1 0 0 0 0 24 23 2 0 0 0 0 25 21 1 0 0 0 0 26 19 1 0 0 0 0 27 24 1 0 0 0 0 28 25 1 0 0 0 0 29 25 2 0 0 0 0 30 26 1 0 0 0 0 31 28 2 0 0 0 0 32 29 1 0 0 0 0 33 32 2 0 0 0 0 24 22 1 0 0 0 0 3 2 1 0 0 0 0 33 31 1 0 0 0 0 M END > AA304 > (1R*,2S*,5R*)-2-Benzyloxycarbonylamino-5-(toluene-4-sulfonyloxy)-cyclohexanecarboxylic acid ethyl ester > 1212170-46-1 > MFCD08437522 > <100mg> 485 > <250mg> 940 > <500mg> 1655 > <1g> 2845 > Racemic $$$$ Marvin 08131001042D 33 35 0 0 0 0 999 V2000 4.6912 -9.2906 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.5408 -8.4657 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5408 -9.2906 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2533 -10.5280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2616 -9.7031 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4036 -9.7031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2616 -8.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9787 -8.8657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8284 -9.7031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2662 -10.0031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1119 -8.5907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8284 -8.0408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1243 -9.2906 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5241 -10.9237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2533 -7.2284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9407 -10.9362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2621 -9.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9912 -8.0408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1243 -8.4657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9782 -8.4532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6656 -10.5280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2788 -7.6158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5497 -8.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5622 -8.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3655 -10.9404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6864 -8.0408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8498 -7.6033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0779 -10.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3655 -11.7612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3905 -8.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7986 -10.9404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0779 -12.1778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7903 -11.7612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 12 1 0 0 0 0 3 9 1 0 0 0 0 4 5 1 0 0 0 0 3 5 1 1 0 0 0 6 1 1 0 0 0 0 2 7 1 1 0 0 0 8 1 1 0 0 0 0 9 13 1 0 0 0 0 10 1 2 0 0 0 0 11 1 2 0 0 0 0 12 19 1 0 0 0 0 13 6 1 1 0 0 0 14 4 2 0 0 0 0 15 7 2 0 0 0 0 16 4 1 0 0 0 0 17 8 2 0 0 0 0 18 8 1 0 0 0 0 19 13 1 0 0 0 0 20 7 1 0 0 0 0 21 16 1 0 0 0 0 22 18 2 0 0 0 0 23 17 1 0 0 0 0 24 22 1 0 0 0 0 25 21 1 0 0 0 0 26 20 1 0 0 0 0 27 24 1 0 0 0 0 28 25 2 0 0 0 0 29 25 1 0 0 0 0 30 26 1 0 0 0 0 31 28 1 0 0 0 0 32 29 2 0 0 0 0 33 32 1 0 0 0 0 24 23 2 0 0 0 0 2 3 1 0 0 0 0 33 31 2 0 0 0 0 M END > AA305 > (1R*,2S*,4S*)-2-Benzyloxycarbonylamino-4-(toluene-4-sulfonyloxy)-cyclohexanecarboxylic acid ethyl ester > 1212242-37-9 > MFCD08669701 > <100mg> 485 > <250mg> 940 > <500mg> 1655 > <1g> 2845 > Racemic $$$$ Marvin 08131001042D 33 35 0 0 0 0 999 V2000 4.7042 -8.4625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.5625 -8.4625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5625 -9.2875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2750 -10.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2750 -8.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4167 -8.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2750 -9.7042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -8.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1125 -9.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -7.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8500 -8.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1375 -8.4625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5625 -10.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2750 -7.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9875 -10.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8500 -9.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2750 -8.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9750 -9.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9917 -8.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1375 -9.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6917 -10.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 -8.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2625 -10.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 -9.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4042 -10.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7000 -8.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 -10.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4167 -11.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1167 -10.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4125 -8.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1375 -12.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8417 -10.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8417 -11.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 11 1 0 0 0 0 3 16 1 0 0 0 0 4 7 1 0 0 0 0 2 5 1 1 0 0 0 6 1 1 0 0 0 0 3 7 1 6 0 0 0 8 1 1 0 0 0 0 9 1 2 0 0 0 0 10 1 2 0 0 0 0 11 12 1 0 0 0 0 12 6 1 1 0 0 0 13 4 2 0 0 0 0 14 5 2 0 0 0 0 15 4 1 0 0 0 0 16 20 1 0 0 0 0 17 8 1 0 0 0 0 18 8 2 0 0 0 0 19 5 1 0 0 0 0 20 12 1 0 0 0 0 21 15 1 0 0 0 0 22 17 2 0 0 0 0 23 18 1 0 0 0 0 24 23 2 0 0 0 0 25 21 1 0 0 0 0 26 19 1 0 0 0 0 27 24 1 0 0 0 0 28 25 1 0 0 0 0 29 25 2 0 0 0 0 30 26 1 0 0 0 0 31 28 2 0 0 0 0 32 29 1 0 0 0 0 33 32 2 0 0 0 0 24 22 1 0 0 0 0 3 2 1 0 0 0 0 33 31 1 0 0 0 0 M END > AA306 > (1R*,2R*,5R*)-2-Benzyloxycarbonylamino-5-(toluene-4-sulfonyloxy)-cyclohexanecarboxylic acid ethyl ester > 935470-10-3 > MFCD08437523 > <100mg> 485 > <250mg> 940 > <500mg> 1655 > <1g> 2845 > Racemic $$$$ Marvin 08131001042D 19 20 0 0 0 0 999 V2000 4.5375 -9.8417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7292 -9.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2750 -9.0542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3667 -9.8292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6125 -9.0417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9417 -8.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5292 -11.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8542 -10.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3917 -8.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0042 -11.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 -11.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5542 -7.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8417 -11.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 -9.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3042 -12.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1792 -11.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6500 -11.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7792 -9.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4125 -9.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 3 1 0 0 0 0 7 8 1 0 0 0 0 4 8 1 1 0 0 0 5 9 1 1 0 0 0 10 7 1 0 0 0 0 11 7 2 0 0 0 0 12 9 2 0 0 0 0 13 10 1 0 0 0 0 14 9 1 0 0 0 0 15 13 1 0 0 0 0 16 13 1 0 0 0 0 17 13 1 0 0 0 0 18 14 1 0 0 0 0 19 18 1 0 0 0 0 3 2 1 1 0 0 0 6 5 1 0 0 0 0 M END > AA307 > all-cis-2-tert-Butoxycarbonylamino-6-oxa-bicyclo[3.1.0]hexane-3-carboxylic acid ethyl ester > 959745-75-6 > MFCD08669700 > <100mg> 215 > <250mg> 415 > <500mg> 725 > <1g> 1245 > <2.5g> 2490 > Racemic $$$$ Marvin 08131001042D 10 10 0 0 0 0 999 V2000 6.4250 6.4792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1375 6.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4250 5.6542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1375 7.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7042 5.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8542 6.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1375 5.2417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7042 6.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 10 1 0 0 0 0 7 2 1 0 0 0 0 3 8 1 1 0 0 0 9 1 1 0 0 0 0 10 9 1 0 0 0 0 6 5 2 0 0 0 0 M END > AA314 > Cis-2-Amino-cyclohex-3-enecarboxylic acid > 193673-65-3 > MFCD08437539 > <100mg> 65 > <250mg> 125 > <500mg> 215 > <1g> 365 > <2.5g> 730 > <5g> 1315 > Racemic $$$$ Marvin 08131001042D 11 10 0 0 0 0 999 V2000 5.3375 -2.5375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0500 -2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3375 -3.3625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0500 -1.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 -3.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9125 -3.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7667 -2.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 -3.7750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4000 -2.6167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 -2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9125 -2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 11 1 0 0 0 0 7 2 1 0 0 0 0 3 8 1 1 0 0 0 10 1 1 0 0 0 0 11 10 1 0 0 0 0 5 6 2 0 0 0 0 M END > AA314-1 > Cis-2-Amino-cyclohex-3-enecarboxylic acid hydrochloride > 142035-00-5 > MFCD08669705 > <100mg> 65 > <250mg> 125 > <500mg> 215 > <1g> 365 > <2.5g> 730 > <5g> 1315 > Racemic > HCl $$$$ Marvin 08131001042D 10 10 0 0 1 0 999 V2000 6.7667 -10.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4792 -9.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7667 -11.0750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4792 -9.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0417 -11.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3292 -11.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1917 -10.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4792 -11.4875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0417 -9.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3292 -10.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 6 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 10 1 0 0 0 0 7 2 1 0 0 0 0 3 8 1 6 0 0 0 9 1 1 0 0 0 0 10 9 1 0 0 0 0 6 5 2 0 0 0 0 M END > AA315 > (1S,2R)-2-Amino-cyclohex-3-enecarboxylic acid > 285560-97-6 > MFCD08437540 > <100mg> 140 > <250mg> 265 > <500mg> 465 > <1g> 800 > Chiral $$$$ Marvin 08131001042D 11 10 0 0 1 0 999 V2000 5.4292 -10.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1417 -9.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4292 -11.0750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1417 -9.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 -11.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 -11.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8542 -10.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1417 -11.4875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1292 -9.8917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 -9.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 -10.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 6 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 11 1 0 0 0 0 7 2 1 0 0 0 0 3 8 1 6 0 0 0 10 1 1 0 0 0 0 11 10 1 0 0 0 0 6 5 2 0 0 0 0 M END > AA315-1 > (1S,2R)-2-Amino-cyclohex-3-enecarboxylic acid hydrochloride > 132487-40-2 > MFCD04112726 > <100mg> 140 > <250mg> 265 > <500mg> 465 > <1g> 800 > <2.5g> 1600 > <5g> 2880 > Chiral > HCl $$$$ Marvin 08131001042D 10 10 0 0 1 0 999 V2000 5.4542 -10.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1667 -9.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 -11.0750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1667 -9.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7375 -11.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 -11.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8875 -10.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1667 -11.4875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7375 -9.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 -10.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 10 1 0 0 0 0 7 2 1 0 0 0 0 3 8 1 1 0 0 0 9 1 1 0 0 0 0 10 9 1 0 0 0 0 5 6 2 0 0 0 0 M END > AA316 > (1R,2S)-2-Amino-cyclohex-3-enecarboxylic acid > 285560-96-5 > MFCD08437541 > <100mg> 140 > <250mg> 265 > <500mg> 465 > <1g> 800 > <2.5g> 1600 > <5g> 2880 > Chiral $$$$ Marvin 08131001042D 11 10 0 0 1 0 999 V2000 5.2417 -10.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9542 -9.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2417 -11.0750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9542 -9.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 -11.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 -11.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6750 -10.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9542 -11.4875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8667 -9.7667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 -9.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 -10.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 11 1 0 0 0 0 7 2 1 0 0 0 0 3 8 1 1 0 0 0 10 1 1 0 0 0 0 11 10 1 0 0 0 0 6 5 2 0 0 0 0 M END > AA316-1 > (1R,2S)-2-Amino-cyclohex-3-enecarboxylic acid hydrochloride > 131783-54-5 > MFCD04112725 > <100mg> 125 > <250mg> 235 > <500mg> 415 > <1g> 710 > <2.5g> 1420 > <5g> 2560 > Chiral > HCl $$$$ Marvin 08131001042D 11 11 0 0 0 0 999 V2000 6.2480 -5.2303 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9987 -4.8799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2438 -6.0603 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0696 -4.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6744 -5.3471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9862 -6.4231 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6098 -4.7047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5848 -6.5608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8090 -4.8799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7840 -6.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4420 -5.6181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 2 1 0 0 0 0 3 6 1 1 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 10 11 1 0 0 0 0 M END > AA317 > Cis-2-Amino-cycloheptanecarboxylic acid > 42418-83-7 > MFCD08437542 > <100mg> 60 > <250mg> 115 > <500mg> 205 > <1g> 345 > <2.5g> 690 > <5g> 1245 > Racemic $$$$ Marvin 08131001042D 12 11 0 0 0 0 999 V2000 5.4236 -5.2196 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1728 -4.8700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4194 -6.0480 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2436 -4.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8471 -5.3362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1561 -6.4101 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3581 -4.6119 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.7868 -4.6952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7618 -6.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9876 -4.8700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9626 -6.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6213 -5.5984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 2 1 0 0 0 0 3 6 1 1 0 0 0 8 1 1 0 0 0 0 9 3 1 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 12 10 1 0 0 0 0 11 12 1 0 0 0 0 M END > AA317-1 > Cis-2-Amino-cycloheptanecarboxylic acid hydrochloride > 1033756-97-6 > MFCD08277034 > <100mg> 55 > <250mg> 105 > <500mg> 185 > <1g> 315 > <2.5g> 630 > <5g> 1135 > Racemic > HCl $$$$ Marvin 08131001042D 11 11 0 0 1 0 999 V2000 5.6078 -5.1033 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3416 -4.7197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6328 -5.9330 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3791 -3.8942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0337 -5.1658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3916 -6.2707 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9449 -4.6071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0032 -6.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1569 -4.8156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1944 -6.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8191 -5.5661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 6 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 2 1 0 0 0 0 3 6 1 6 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 10 11 1 0 0 0 0 M END > AA318 > (1S,2R)-2-Amino-cycloheptanecarboxylic acid > 755749-93-0 > MFCD08437543 > <100mg> 260 > <250mg> 500 > <500mg> 880 > <1g> 1510 > Chiral $$$$ Marvin 08131001042D 12 11 0 0 1 0 999 V2000 5.6359 -5.1739 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3726 -4.7992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6609 -6.0063 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4101 -3.9751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0594 -5.2488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4101 -6.3476 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0792 -4.7992 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.9741 -4.6744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0240 -6.5308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1874 -4.8742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2124 -6.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8460 -5.6234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 6 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 2 1 0 0 0 0 3 6 1 6 0 0 0 8 1 1 0 0 0 0 9 3 1 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 12 10 1 0 0 0 0 11 12 1 0 0 0 0 M END > AA318-1 > (1S,2R)-2-Amino-cycloheptanecarboxylic acid hydrochloride > 522644-09-3 > MFCD04112722 > <100mg> 260 > <250mg> 500 > <500mg> 880 > <1g> 1510 > Chiral > HCl $$$$ Marvin 08131001042D 11 11 0 0 1 0 999 V2000 5.6276 -5.1023 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3321 -4.6688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6068 -5.9319 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3071 -3.8518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0574 -5.0648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3321 -6.3279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9898 -4.5688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9440 -6.4196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1894 -4.7314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1436 -6.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8143 -5.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 2 1 0 0 0 0 3 6 1 1 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 11 10 1 0 0 0 0 M END > AA319 > (1R,2S)-2-Amino-cycloheptanecarboxylic acid > 522644-03-7 > MFCD08437544 > <100mg> 260 > <250mg> 500 > <500mg> 880 > <1g> 1510 > Chiral $$$$ Marvin 08131001042D 12 11 0 0 1 0 999 V2000 5.6250 -5.1125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3167 -4.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 -5.9375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2792 -3.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0500 -5.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3542 -6.3167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2125 -4.7125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.9750 -4.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9667 -6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -4.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 -6.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 -5.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 2 1 0 0 0 0 3 6 1 1 0 0 0 8 1 1 0 0 0 0 9 3 1 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 12 10 1 0 0 0 0 12 11 1 0 0 0 0 M END > AA319-1 > (1R,2S)-2-Amino-cycloheptanecarboxylic acid hydrochloride > 522644-07-1 > MFCD04112721 > <100mg> 260 > <250mg> 500 > <500mg> 880 > <1g> 1510 > Chiral > HCl $$$$ Marvin 08131001042D 12 12 0 0 0 0 999 V2000 6.3667 -10.5292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1250 -10.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3667 -11.3542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1792 -9.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8417 -10.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1250 -11.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7792 -9.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7792 -11.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 -9.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 -11.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3750 -11.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3750 -10.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 2 1 0 0 0 0 3 6 1 1 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 11 12 1 0 0 0 0 12 9 1 0 0 0 0 10 11 1 0 0 0 0 M END > AA320 > cis-2-Amino-cyclooctanecarboxylic acid > 649765-17-3 > MFCD08437545 > <250mg> 50 > <500mg> 95 > <1g> 190 > <2.5g> 475 > <5g> 950 > <10g> 1900 > Racemic $$$$ Marvin 08131001042D 12 12 0 0 1 0 999 V2000 5.7167 -10.1792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4750 -9.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7167 -11.0042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5292 -9.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1917 -10.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4750 -11.3167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -9.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -11.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -9.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -11.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 -11.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 -10.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 6 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 2 1 0 0 0 0 3 6 1 6 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 11 12 1 0 0 0 0 12 9 1 0 0 0 0 10 11 1 0 0 0 0 M END > AA321 > (1S,2R)-2-Amino-cyclooctanecarboxylic acid > 791059-05-7 > MFCD08437546 > <100mg> 260 > <250mg> 500 > <500mg> 880 > <1g> 1510 > Chiral $$$$ Marvin 08131001042D 13 12 0 0 1 0 999 V2000 5.7167 -10.1792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4750 -9.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7167 -11.0042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5292 -9.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1917 -10.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4750 -11.3167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1500 -9.7667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -9.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -11.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -9.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -11.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 -11.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 -10.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 6 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 2 1 0 0 0 0 3 6 1 6 0 0 0 8 1 1 0 0 0 0 9 3 1 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 12 13 1 0 0 0 0 13 10 1 0 0 0 0 11 12 1 0 0 0 0 M END > AA321-1 > (1S,2R)-2-Amino-cyclooctanecarboxylic acid hydrochloride > 522644-10-6 > MFCD08669706 > <100mg> 260 > <250mg> 500 > <500mg> 880 > <1g> 1510 > Chiral > HCl $$$$ Marvin 08131001042D 12 12 0 0 1 0 999 V2000 5.7167 -10.5792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4750 -10.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7167 -11.4042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5292 -9.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1917 -10.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4750 -11.7250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -11.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -11.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 -11.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 -10.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 2 1 0 0 0 0 3 6 1 1 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 11 12 1 0 0 0 0 12 9 1 0 0 0 0 10 11 1 0 0 0 0 M END > AA322 > (1R,2S)-2-Amino-cyclooctanecarboxylic acid > 522644-04-8 > MFCD08437547 > <100mg> 260 > <250mg> 500 > <500mg> 880 > <1g> 1510 > Chiral $$$$ Marvin 08131001042D 13 12 0 0 1 0 999 V2000 5.7167 -10.1792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4750 -9.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7167 -11.0042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5292 -9.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1917 -10.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4750 -11.3167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1417 -9.8292 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -9.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -11.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -9.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -11.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 -11.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 -10.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 2 1 0 0 0 0 3 6 1 1 0 0 0 8 1 1 0 0 0 0 9 3 1 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 12 13 1 0 0 0 0 13 10 1 0 0 0 0 11 12 1 0 0 0 0 M END > AA322-1 > (1R,2S)-2-Amino-cyclooctanecarboxylic acid hydrochloride > 522644-08-2 > MFCD08669707 > <100mg> 260 > <250mg> 500 > <500mg> 880 > <1g> 1510 > Chiral > HCl $$$$ Marvin 08131001042D 12 12 0 0 0 0 999 V2000 5.7167 -10.5792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4750 -10.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7167 -11.4042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5292 -9.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 -11.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 -10.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1917 -10.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4750 -11.7250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -11.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -11.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 6 2 0 0 0 0 6 10 1 0 0 0 0 7 2 1 0 0 0 0 3 8 1 1 0 0 0 9 1 1 0 0 0 0 10 9 1 0 0 0 0 11 12 1 0 0 0 0 12 3 1 0 0 0 0 11 5 1 0 0 0 0 M END > AA323 > Cis-(z)-8-Amino-cyclooct-4-enecarboxylic acid > 736127-53-0 > MFCD08437548 > <100mg> 65 > <250mg> 125 > <500mg> 215 > <1g> 365 > <2.5g> 730 > <5g> 1315 > Racemic $$$$ Marvin 08131001042D 13 12 0 0 0 0 999 V2000 5.9792 -10.1792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7417 -9.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 -11.0042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7917 -9.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 -11.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 -10.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4542 -10.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7417 -11.3167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4292 -9.7042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.3917 -9.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5667 -9.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5667 -11.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3917 -11.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 6 2 0 0 0 0 6 11 1 0 0 0 0 7 2 1 0 0 0 0 3 8 1 1 0 0 0 10 1 1 0 0 0 0 11 10 1 0 0 0 0 12 13 1 0 0 0 0 13 3 1 0 0 0 0 12 5 1 0 0 0 0 M END > AA323-1 > Cis-(z)-8-Amino-cyclooct-4-enecarboxylic acid hydrochloride > 350015-75-7 > MFCD08669708 > <100mg> 65 > <250mg> 125 > <500mg> 215 > <1g> 365 > <2.5g> 730 > <5g> 1315 > Racemic > HCl $$$$ Marvin 08131001042D 12 12 0 0 1 0 999 V2000 5.7167 -10.5792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4750 -10.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7167 -11.4042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5292 -9.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 -11.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 -10.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1917 -10.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4750 -11.7250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -11.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -11.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 6 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 6 2 0 0 0 0 6 10 1 0 0 0 0 7 2 1 0 0 0 0 3 8 1 6 0 0 0 9 1 1 0 0 0 0 10 9 1 0 0 0 0 11 12 1 0 0 0 0 12 3 1 0 0 0 0 11 5 1 0 0 0 0 M END > AA324 > (1S,8R,z)-8-Amino-cyclooct-4-enecarboxylic acid > 807314-37-0 > MFCD08437549 > <100mg> 260 > <250mg> 500 > <500mg> 880 > <1g> 1510 > Chiral $$$$ Marvin 08131001042D 13 12 0 0 1 0 999 V2000 5.7167 -10.1792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4750 -9.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7167 -11.0042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5292 -9.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 -11.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 -10.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1917 -10.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4750 -11.3167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1792 -9.8042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -9.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -9.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -11.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -11.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 6 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 6 2 0 0 0 0 6 11 1 0 0 0 0 7 2 1 0 0 0 0 3 8 1 6 0 0 0 10 1 1 0 0 0 0 11 10 1 0 0 0 0 12 13 1 0 0 0 0 13 3 1 0 0 0 0 12 5 1 0 0 0 0 M END > AA324-1 > (1S,8R,z)-8-Amino-cyclooct-4-enecarboxylic acid hydrochloride > 795309-08-9 > MFCD08669709 > <100mg> 260 > <250mg> 500 > <500mg> 880 > <1g> 1510 > Chiral > HCl $$$$ Marvin 08131001042D 12 12 0 0 1 0 999 V2000 5.7167 -10.5792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4750 -10.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7167 -11.4042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5292 -9.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 -11.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 -10.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1917 -10.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4750 -11.7167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -9.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -9.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -11.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -11.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 6 2 0 0 0 0 6 10 1 0 0 0 0 7 2 1 0 0 0 0 3 8 1 1 0 0 0 9 1 1 0 0 0 0 10 9 1 0 0 0 0 11 12 1 0 0 0 0 12 3 1 0 0 0 0 5 11 1 0 0 0 0 M END > AA325 > (1R,8S,z)-8-Amino-cyclooct-4-enecarboxylic acid > 795309-05-6 > MFCD08437550 > <100mg> 260 > <250mg> 500 > <500mg> 880 > <1g> 1510 > Chiral $$$$ Marvin 08131001042D 13 12 0 0 1 0 999 V2000 5.7167 -10.1792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4750 -9.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7167 -11.0042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5292 -9.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 -11.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 -10.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1917 -10.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4750 -11.3167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1792 -9.7042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -9.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -9.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -11.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -11.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 6 2 0 0 0 0 6 11 1 0 0 0 0 7 2 1 0 0 0 0 3 8 1 1 0 0 0 10 1 1 0 0 0 0 11 10 1 0 0 0 0 12 13 1 0 0 0 0 13 3 1 0 0 0 0 12 5 1 0 0 0 0 M END > AA325-1 > (1R,8S,z)-8-Amino-cyclooct-4-enecarboxylic acid hydrochloride > 795309-10-3 > MFCD08669710 > <100mg> 260 > <250mg> 500 > <500mg> 880 > <1g> 1510 > Chiral > HCl $$$$ Marvin 08131001042D 11 12 0 0 1 0 999 V2000 5.4897 -10.3084 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7809 -9.8932 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4897 -11.1388 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7809 -11.5497 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2069 -9.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0680 -10.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0680 -11.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9865 -10.6942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2069 -9.0754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2069 -11.5540 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9240 -10.3168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 1 5 1 1 0 0 0 6 2 1 0 0 0 0 7 4 1 0 0 0 0 2 8 1 1 0 0 0 9 5 2 0 0 0 0 3 10 1 1 0 0 0 11 5 1 0 0 0 0 4 8 1 1 0 0 0 7 6 2 0 0 0 0 M END > AA328 > (1R,2R,3S,4S)-(-)-3-aminobicyclo[2.2.1]hept-5-ene-2-carboxylic acid > 202187-28-8 > MFCD09260406 > <100mg> 105 > <250mg> 200 > <500mg> 350 > <1g> 600 > <2.5g> 1200 > <5g> 2160 > Chiral $$$$ Marvin 08131001042D 12 12 0 0 1 0 999 V2000 5.4897 -10.3084 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7809 -9.8932 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4897 -11.1388 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7809 -11.5497 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2069 -9.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0680 -10.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0680 -11.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9865 -10.6942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2069 -9.0754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2069 -11.5540 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9240 -10.3168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0437 -10.0819 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 1 5 1 1 0 0 0 6 2 1 0 0 0 0 7 4 1 0 0 0 0 2 8 1 1 0 0 0 9 5 2 0 0 0 0 3 10 1 1 0 0 0 11 5 1 0 0 0 0 4 8 1 1 0 0 0 7 6 2 0 0 0 0 M END > AA328-1 > (1R,2R,3S,4S)-(-)-3-aminobicyclo[2.2.1]hept-5-ene-2-carboxylic acid hydrochloride > 677757-34-5 > MFCD08669715 > <100mg> 70 > <250mg> 140 > <500mg> 240 > <1g> 410 > <2.5g> 820 > <5g> 1480 > Chiral > HCl $$$$ Marvin 08131001042D 11 12 0 0 1 0 999 V2000 6.7982 -10.3084 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0894 -9.8932 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7982 -11.1388 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0894 -11.5497 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5153 -9.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3765 -10.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3765 -11.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3075 -10.7488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5237 -9.0754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5153 -11.5540 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2325 -10.3168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 1 5 1 6 0 0 0 6 2 1 0 0 0 0 7 4 1 0 0 0 0 2 8 1 6 0 0 0 9 5 2 0 0 0 0 3 10 1 6 0 0 0 11 5 1 0 0 0 0 4 8 1 6 0 0 0 7 6 2 0 0 0 0 M END > AA329 > (1S,2S,3R,4R)-(+)-3-aminobicyclo[2.2.1]hept-5-ene-2-carboxylic acid > 202187-27-7 > MFCD09260407 > <100mg> 105 > <250mg> 200 > <500mg> 350 > <1g> 600 > <2.5g> 1200 > <5g> 2160 > Chiral $$$$ Marvin 08131001042D 12 12 0 0 1 0 999 V2000 5.4655 -10.2629 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7515 -9.8496 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4655 -11.0896 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7515 -11.4988 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1795 -9.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0459 -10.2629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0459 -11.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9770 -10.7013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1795 -9.0354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1795 -11.5030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8935 -10.2712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8537 -9.9122 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 1 5 1 6 0 0 0 6 2 1 0 0 0 0 7 4 1 0 0 0 0 2 8 1 6 0 0 0 9 5 2 0 0 0 0 3 10 1 6 0 0 0 11 5 1 0 0 0 0 4 8 1 6 0 0 0 7 6 2 0 0 0 0 M END > AA329-1 > (1S,2S,3R,4R)-(+)-3-aminobicyclo[2.2.1]hept-5-ene-2-carboxylic acid hydrochloride > 677757-33-4 > MFCD08669713 > <100mg> 100 > <250mg> 185 > <500mg> 325 > <1g> 560 > <2.5g> 1120 > <5g> 2020 > Chiral > HCl $$$$ Marvin 08131001042D 27 30 0 0 0 0 999 V2000 9.3736 -10.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6846 -10.5009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2712 -11.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1251 -9.8871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4613 -11.0395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5052 -7.7535 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2274 -9.8203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2274 -7.3402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5052 -8.5802 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2274 -8.9936 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6596 -9.8120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9414 -10.2253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5052 -10.2337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2317 -6.5135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9414 -7.7661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4905 -10.3256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5260 -11.9915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9184 -11.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3757 -9.1063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7912 -7.3319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7912 -8.9811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0772 -7.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1856 -8.9227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1690 -12.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9748 -12.6053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7410 -9.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0772 -8.5802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 2 0 0 0 0 3 5 2 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 9 1 0 0 0 0 7 12 1 0 0 0 0 6 8 1 1 0 0 0 9 10 1 6 0 0 0 10 7 1 0 0 0 0 11 1 1 0 0 0 0 12 11 1 0 0 0 0 13 7 2 0 0 0 0 14 8 2 0 0 0 0 15 8 1 0 0 0 0 16 2 1 0 0 0 0 17 3 1 0 0 0 0 18 5 1 0 0 0 0 19 4 1 0 0 0 0 20 6 1 0 0 0 0 21 9 1 0 0 0 0 22 27 1 0 0 0 0 23 19 2 0 0 0 0 24 18 2 0 0 0 0 25 24 1 0 0 0 0 26 23 1 0 0 0 0 27 21 1 0 0 0 0 3 2 1 0 0 0 0 25 17 2 0 0 0 0 16 26 2 0 0 0 0 20 22 1 0 0 0 0 M END > AA330 > trans-2-(9 H-Fluoren-9-ylmethoxycarbonylamino)-cyclohexanecarboxylic acid > 381241-08-3 > MFCD02682626 > <250mg> 50 > <500mg> 90 > <1g> 150 > <2.5g> 300 > <5g> 540 > Racemic $$$$ Marvin 08131001042D 30 34 0 0 0 0 999 V2000 6.8925 -7.5233 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4038 -8.1875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3980 -11.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1750 -12.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3855 -12.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1833 -11.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9093 -12.0098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4080 -6.8549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6185 -7.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7196 -7.5317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6461 -8.9770 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0905 -9.5869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6268 -7.1056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1474 -10.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3411 -10.3764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2801 -9.4114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1374 -6.8173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1249 -8.2502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8851 -12.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0471 -13.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0947 -12.0849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8976 -11.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9125 -8.3504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9125 -6.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6036 -11.6171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7521 -12.8369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2326 -13.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6036 -12.4442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1982 -7.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1982 -7.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 14 1 0 0 0 0 4 6 2 0 0 0 0 5 7 2 0 0 0 0 6 3 1 0 0 0 0 7 3 1 0 0 0 0 8 1 1 0 0 0 0 9 2 1 0 0 0 0 1 10 1 1 0 0 0 2 11 1 1 0 0 0 12 11 1 0 0 0 0 13 8 1 0 0 0 0 14 15 1 0 0 0 0 15 12 1 0 0 0 0 16 12 2 0 0 0 0 17 10 2 0 0 0 0 18 10 1 0 0 0 0 19 4 1 0 0 0 0 20 5 1 0 0 0 0 21 7 1 0 0 0 0 22 6 1 0 0 0 0 23 9 2 0 0 0 0 24 13 2 0 0 0 0 25 22 2 0 0 0 0 26 21 2 0 0 0 0 27 26 1 0 0 0 0 28 25 1 0 0 0 0 29 23 1 0 0 0 0 30 24 1 0 0 0 0 9 13 1 0 0 0 0 29 30 2 0 0 0 0 5 4 1 0 0 0 0 27 20 2 0 0 0 0 19 28 2 0 0 0 0 M END > AA331 > cis-1-(9-H-Fluoren-9-ylmethoxycarbonylamino)-indan-2-carboxylic acid > MFCD09260410 > <100mg> 80 > <250mg> 150 > <500mg> 260 > <1g> 445 > <2.5g> 890 > <5g> 1605 > Racemic $$$$ Marvin 08131001042D 28 32 0 0 0 0 999 V2000 6.9609 -7.9141 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9609 -8.7419 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2460 -7.4919 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8247 -10.3891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4509 -8.2946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7277 -11.3883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1416 -10.6650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5856 -10.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9208 -11.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2460 -9.1474 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6758 -9.1558 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6758 -7.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6758 -9.9835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1098 -9.9752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3949 -10.3974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5311 -7.9141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9609 -10.4016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5311 -8.7419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6800 -6.6766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3907 -7.9183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9786 -12.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9443 -10.4978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3732 -11.8315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8364 -9.2729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4267 -12.7804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1952 -9.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6391 -9.0973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6240 -12.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 14 1 0 0 0 0 3 5 1 1 0 0 0 6 9 2 0 0 0 0 7 8 2 0 0 0 0 8 4 1 0 0 0 0 9 4 1 0 0 0 0 10 2 1 0 0 0 0 2 11 1 1 0 0 0 1 12 1 1 0 0 0 13 11 1 0 0 0 0 14 15 1 0 0 0 0 15 13 1 0 0 0 0 16 3 1 0 0 0 0 17 13 2 0 0 0 0 18 16 1 0 0 0 0 19 12 2 0 0 0 0 20 12 1 0 0 0 0 21 6 1 0 0 0 0 22 7 1 0 0 0 0 23 9 1 0 0 0 0 24 8 1 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 27 24 2 0 0 0 0 28 23 2 0 0 0 0 10 5 1 1 0 0 0 10 18 1 0 0 0 0 7 6 1 0 0 0 0 21 25 2 0 0 0 0 26 22 2 0 0 0 0 M END > AA333 > diexo-3-(9-H-Fluoren-9-ylmethoxycarbonylamino)-7-oxa-bicyclo[2.2.1]heptane-2-carboxylic acid > 1212211-21-6 > MFCD08751320 > <100mg> 80 > <250mg> 150 > <500mg> 260 > <1g> 445 > <2.5g> 890 > <5g> 1605 > Racemic $$$$ Marvin 08131001042D 11 12 0 0 0 0 999 V2000 6.1440 -10.3084 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4352 -9.8932 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1440 -11.1388 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8611 -9.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4352 -11.5497 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6407 -10.6942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7223 -10.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8611 -9.0754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7223 -11.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8611 -11.5540 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5782 -10.3168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 1 4 1 6 0 0 0 5 3 1 0 0 0 0 2 6 1 1 0 0 0 7 2 1 0 0 0 0 8 4 2 0 0 0 0 9 5 1 0 0 0 0 3 10 1 6 0 0 0 11 4 1 0 0 0 0 5 6 1 1 0 0 0 9 7 1 0 0 0 0 M END > AA338 > diendo-3-Amino-bicyclo[2.2.1]heptane-2-carboxylic acid > 104308-53-4 > MFCD00143120 > <100mg> 125 > <250mg> 235 > <500mg> 415 > <1g> 710 > <2.5g> 1420 > <5g> 2560 > Racemic $$$$ Marvin 08131001042D 12 12 0 0 0 0 999 V2000 6.1440 -10.3084 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4352 -9.8932 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1440 -11.1388 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8611 -9.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4352 -11.5497 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6407 -10.6942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7223 -10.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8611 -9.0754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7223 -11.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8611 -11.5540 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5782 -10.3168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4212 -11.1262 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 1 4 1 6 0 0 0 5 3 1 0 0 0 0 2 6 1 1 0 0 0 7 2 1 0 0 0 0 8 4 2 0 0 0 0 9 5 1 0 0 0 0 3 10 1 6 0 0 0 11 4 1 0 0 0 0 5 6 1 1 0 0 0 9 7 1 0 0 0 0 M END > AA338-1 > diendo-3-Amino-bicyclo[2.2.1]heptane-2-carboxylic acid hydrochloride > 1212132-12-1 > MFCD09260411 > <100mg> 125 > <250mg> 235 > <500mg> 415 > <1g> 710 > <2.5g> 1420 > <5g> 2560 > Racemic > HCl $$$$ Marvin 08131001042D 14 15 0 0 0 0 999 V2000 7.8705 6.2421 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1440 5.8288 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5845 5.8288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4300 6.2421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8705 7.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4300 7.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2984 6.2421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1440 7.4947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1440 5.0104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5802 5.0104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7160 5.8288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7160 7.4822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0104 6.2421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0104 7.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 1 3 1 1 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 8 1 0 0 0 0 7 3 2 0 0 0 0 8 5 1 0 0 0 0 2 9 1 1 0 0 0 10 3 1 0 0 0 0 11 4 2 0 0 0 0 12 6 2 0 0 0 0 13 11 1 0 0 0 0 14 12 1 0 0 0 0 6 4 1 0 0 0 0 14 13 2 0 0 0 0 M END > AA339 > cis-1-amino-1,2,3,4-tetrahydro-2-naphthalenecarboxylic acid > 888407-44-1 > MFCD09260408 > <100mg> 80 > <250mg> 150 > <500mg> 260 > <1g> 445 > <2.5g> 890 > <5g> 1605 > Racemic $$$$ Marvin 08131001042D 15 15 0 0 0 0 999 V2000 6.8250 -2.0167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1000 -2.4292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5375 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3875 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8250 -1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3875 -1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2500 -2.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1000 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1000 -3.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5292 -3.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0792 -1.1542 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 -1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 1 3 1 1 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 8 1 0 0 0 0 7 3 2 0 0 0 0 8 5 1 0 0 0 0 2 9 1 1 0 0 0 10 3 1 0 0 0 0 12 4 2 0 0 0 0 13 6 2 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 4 6 1 0 0 0 0 14 15 2 0 0 0 0 M END > AA339-1 > cis-1-amino-1,2,3,4-tetrahydro-2-naphthalenecarboxylic acid hydrochloride > 888323-69-1 > MFCD09260412 > <100mg> 80 > <250mg> 150 > <500mg> 260 > <1g> 445 > <2.5g> 890 > <5g> 1605 > Racemic > HCl $$$$ Marvin 08131001042D 14 15 0 0 1 0 999 V2000 7.8705 6.2421 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1440 5.8288 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5845 5.8288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4300 6.2421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8705 7.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4300 7.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2984 6.2421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1440 7.4947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1440 5.0104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5802 5.0104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7160 5.8288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7160 7.4822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0104 6.2421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0104 7.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 1 3 1 6 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 8 1 0 0 0 0 7 3 2 0 0 0 0 8 5 1 0 0 0 0 2 9 1 6 0 0 0 10 3 1 0 0 0 0 11 4 2 0 0 0 0 12 6 2 0 0 0 0 13 11 1 0 0 0 0 14 12 1 0 0 0 0 6 4 1 0 0 0 0 14 13 2 0 0 0 0 M END > AA341 > (1S,2S)-1-amino-1,2,3,4-tetrahydro-2-naphthalenecarboxylic acid > 888407-46-3 > MFCD10703292 > <100mg> 415 > <250mg> 800 > <500mg> 1405 > <1g> 2420 > Chiral $$$$ Marvin 08131001042D 15 15 0 0 1 0 999 V2000 6.1750 -2.0167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4500 -2.4292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8875 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7375 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1750 -1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7375 -1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6000 -2.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4500 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4500 -3.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8792 -3.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4917 -1.3417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 -1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 1 3 1 6 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 8 1 0 0 0 0 7 3 2 0 0 0 0 8 5 1 0 0 0 0 2 9 1 6 0 0 0 10 3 1 0 0 0 0 12 4 2 0 0 0 0 13 6 2 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 6 4 1 0 0 0 0 15 14 2 0 0 0 0 M END > AA341-1 > (1S,2S)-1-amino-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid hydrochloride > 888323-75-9 > MFCD09787518 > <100mg> 415 > <250mg> 800 > <500mg> 1405 > <1g> 2420 > Chiral > HCl $$$$ Marvin 08131001042D 14 15 0 0 1 0 999 V2000 7.8705 6.2421 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1440 5.8288 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5845 5.8288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4300 6.2421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8705 7.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4300 7.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2984 6.2421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1440 7.4947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1440 5.0104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5802 5.0104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7160 5.8288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7160 7.4822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0104 6.2421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0104 7.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 1 3 1 1 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 8 1 0 0 0 0 7 3 2 0 0 0 0 8 5 1 0 0 0 0 2 9 1 1 0 0 0 10 3 1 0 0 0 0 11 4 2 0 0 0 0 12 6 2 0 0 0 0 13 11 1 0 0 0 0 14 12 1 0 0 0 0 6 4 1 0 0 0 0 14 13 2 0 0 0 0 M END > AA343 > (1R,2R)-1-amino-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid > 888323-71-5 > MFCD09787519 > <100mg> 415 > <250mg> 800 > <500mg> 1405 > <1g> 2420 > Chiral $$$$ Marvin 08131001042D 15 15 0 0 1 0 999 V2000 6.1750 -2.0167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4500 -2.4292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8875 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7375 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1750 -1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7375 -1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6000 -2.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4500 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4500 -3.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8792 -3.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4000 -1.3417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 -1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 1 3 1 1 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 8 1 0 0 0 0 7 3 2 0 0 0 0 8 5 1 0 0 0 0 2 9 1 1 0 0 0 10 3 1 0 0 0 0 12 4 2 0 0 0 0 13 6 2 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 6 4 1 0 0 0 0 15 14 2 0 0 0 0 M END > AA343-1 > (1R,2R)-1-amino-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid hydrochloride > 888323-73-7 > MFCD09787520 > <100mg> 415 > <250mg> 800 > <500mg> 1405 > <1g> 2420 > Chiral > HCl $$$$ Marvin 08131001042D 18 18 0 0 0 0 999 V2000 1.5284 -4.5478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7413 -2.5404 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4743 -3.7274 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4785 -2.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7371 -3.3650 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2656 -4.9143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8413 -5.0100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5492 -1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9527 -4.4520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1614 -2.6529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0917 -2.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0875 -3.8648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6982 -4.8143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9028 -3.6274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6649 -4.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7080 -2.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7204 -3.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0703 -2.9361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 1 0 0 0 0 2 4 1 1 0 0 0 5 3 1 1 0 0 0 6 1 1 0 0 0 0 7 1 2 0 0 0 0 8 4 2 0 0 0 0 9 6 1 0 0 0 0 10 4 1 0 0 0 0 11 2 1 0 0 0 0 12 5 1 0 0 0 0 13 9 1 0 0 0 0 14 9 1 0 0 0 0 15 9 1 0 0 0 0 16 11 1 0 0 0 0 17 12 1 0 0 0 0 18 17 1 0 0 0 0 16 18 1 0 0 0 0 M END > AA345 > cis-2-Tert-butoxycarbonylamino-cycloheptanecarboxylic acid > 1212407-62-9 > MFCD09475428 > <100mg> 80 > <250mg> 160 > <500mg> 275 > <1g> 470 > <2.5g> 940 > <5g> 1695 > Racemic $$$$ Marvin 08131001042D 19 19 0 0 0 0 999 V2000 6.6805 -11.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9164 -9.0229 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6805 -10.1836 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6805 -8.6972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9164 -9.8496 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3903 -11.4236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9623 -11.4153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7890 -7.8830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1085 -11.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3444 -9.2065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3360 -8.4425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3360 -10.4258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8224 -11.4278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1085 -10.1878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8224 -10.5969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5135 -8.4425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5135 -10.4258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9373 -9.0229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9373 -9.8496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 1 0 0 0 0 2 4 1 1 0 0 0 5 3 1 1 0 0 0 6 1 1 0 0 0 0 7 1 2 0 0 0 0 8 4 2 0 0 0 0 9 6 1 0 0 0 0 10 4 1 0 0 0 0 11 2 1 0 0 0 0 12 5 1 0 0 0 0 13 9 1 0 0 0 0 14 9 1 0 0 0 0 15 9 1 0 0 0 0 16 11 1 0 0 0 0 17 12 1 0 0 0 0 18 19 1 0 0 0 0 19 17 1 0 0 0 0 16 18 1 0 0 0 0 M END > AA346 > cis-2-Tert-butoxycarbonylamino-cyclooctanecarboxylic acid > 1013980-15-8 > MFCD09475429 > <100mg> 80 > <250mg> 160 > <500mg> 275 > <1g> 470 > <2.5g> 940 > <5g> 1695 > Racemic $$$$ Marvin 08131001042D 11 11 0 0 0 0 999 V2000 6.3073 6.6817 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0936 6.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0577 5.8954 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2684 7.7427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7052 6.3822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5444 5.2339 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6416 7.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9926 6.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2297 5.8954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5290 6.3822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7412 5.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 2 1 0 0 0 0 3 6 1 1 0 0 0 7 1 1 0 0 0 0 8 7 1 0 0 0 0 9 3 1 0 0 0 0 10 5 1 0 0 0 0 11 10 1 0 0 0 0 8 9 1 0 0 0 0 M END > AA347 > cis-2-Amino-cyclopentanecarboxylic acid ethyl ester > 114745-45-8 > MFCD09475430 > <100mg> 70 > <250mg> 135 > <500mg> 230 > <1g> 395 > <2.5g> 790 > <5g> 1425 > Racemic $$$$ Marvin 08131001042D 12 11 0 0 0 0 999 V2000 5.5441 -10.0209 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3290 -9.7593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2949 -10.8058 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5034 -8.9619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9394 -10.3199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7808 -11.4661 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8755 -9.5350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0275 -8.4013 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.2277 -10.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4644 -10.8058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7617 -10.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9735 -11.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 2 1 0 0 0 0 3 6 1 1 0 0 0 7 1 1 0 0 0 0 9 7 1 0 0 0 0 10 3 1 0 0 0 0 11 5 1 0 0 0 0 12 11 1 0 0 0 0 9 10 1 0 0 0 0 M END > AA347-1 > cis-2-Amino-cyclopentanecarboxylic acid ethyl ester hydrochloride > 142547-15-7 > <100mg> 70 > <250mg> 135 > <500mg> 230 > <1g> 395 > <2.5g> 790 > <5g> 1425 > Racemic > HCl $$$$ Marvin 08131001042D 13 12 0 0 0 0 999 V2000 10.2082 -7.9198 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9335 -7.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2082 -8.7451 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9418 -6.6818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6421 -7.9198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9335 -9.1578 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7842 -9.2704 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.5037 -7.5030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5037 -9.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3549 -7.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7827 -7.9198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0676 -7.9198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7827 -8.7451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 2 1 0 0 0 0 3 6 1 6 0 0 0 8 1 1 0 0 0 0 9 3 1 0 0 0 0 10 5 1 0 0 0 0 11 8 1 0 0 0 0 12 10 1 0 0 0 0 13 11 1 0 0 0 0 9 13 1 0 0 0 0 M END > AA350-1 > trans-2-Amino-cyclohexanecarboxylic acid ethyl ester hydrochloride > 28250-14-8 > <100mg> 70 > <250mg> 135 > <500mg> 230 > <1g> 395 > <2.5g> 790 > <5g> 1425 > Racemic > HCl $$$$ Marvin 08131001042D 13 14 0 0 0 0 999 V2000 6.1372 -10.2760 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4223 -9.8621 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6355 -10.7150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1372 -11.1038 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4223 -11.5134 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8521 -9.8705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7157 -10.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7157 -11.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8521 -9.0469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8479 -11.5177 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5628 -10.2843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2776 -9.8705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9925 -10.2886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 3 1 1 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 1 6 1 1 0 0 0 7 2 1 0 0 0 0 8 5 1 0 0 0 0 9 6 2 0 0 0 0 4 10 1 1 0 0 0 11 6 1 0 0 0 0 12 11 1 0 0 0 0 13 12 1 0 0 0 0 5 3 1 1 0 0 0 7 8 1 0 0 0 0 M END > AA353 > diexo-3-Amino-7-oxa-bicyclo[2.2.1]heptane-2-carboxylic acid ethyl ester > 1212263-59-6 > MFCD09475435 > <1g> 470 > <2.5g> 940 > <5g> 1695 > Racemic $$$$ Marvin 08131001042D 14 14 0 0 0 0 999 V2000 5.4394 -1.4763 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7306 -1.0611 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9361 -1.9166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4394 -2.3066 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7306 -2.7176 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1565 -1.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0177 -1.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0177 -2.3066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1565 -0.2433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1565 -2.7218 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8737 -1.4846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3518 -2.9860 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.5908 -1.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3080 -1.4888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 3 1 1 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 1 6 1 1 0 0 0 7 2 1 0 0 0 0 8 5 1 0 0 0 0 9 6 2 0 0 0 0 4 10 1 1 0 0 0 11 6 1 0 0 0 0 13 11 1 0 0 0 0 14 13 1 0 0 0 0 5 3 1 1 0 0 0 7 8 1 0 0 0 0 M END > AA353-1 > diexo-3-Amino-7-oxa-bicyclo[2.2.1]heptane-2-carboxylic acid ethyl ester hydrochloride > 1212145-02-2 > <1g> 360 > <2.5g> 720 > <5g> 1300 > Racemic > HCl $$$$ Marvin 08131001042D 17 17 0 0 0 0 999 V2000 6.7167 -7.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0167 -5.5167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0167 -6.3417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7292 -6.7625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7292 -5.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4292 -8.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -7.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 -6.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7292 -4.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1417 -7.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5917 -6.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4417 -5.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 -5.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5917 -5.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8542 -8.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1542 -6.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8542 -7.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 1 1 0 0 0 4 1 1 0 0 0 0 2 5 1 1 0 0 0 6 1 1 0 0 0 0 7 1 2 0 0 0 0 8 3 1 0 0 0 0 9 5 2 0 0 0 0 10 6 1 0 0 0 0 11 8 2 0 0 0 0 12 5 1 0 0 0 0 13 2 1 0 0 0 0 14 11 1 0 0 0 0 15 10 1 0 0 0 0 16 10 1 0 0 0 0 17 10 1 0 0 0 0 14 13 1 0 0 0 0 M END > AA355 > cis-2-tert-Butoxycarbonylamino-cyclohex-3-enecarboxylic acid > 870288-16-7 > MFCD09475437 > <1g> 450 > <2.5g> 900 > <5g> 1620 > Racemic $$$$ Marvin 08131001042D 19 19 0 0 0 0 999 V2000 6.9875 -7.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2292 -5.5167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9917 -6.6625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9917 -5.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2292 -6.3417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7000 -7.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2667 -7.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9875 -4.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4125 -7.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2417 -6.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2417 -5.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7042 -5.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6417 -4.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6417 -6.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -4.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -6.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1250 -7.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4042 -6.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1250 -7.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 1 0 0 0 0 2 4 1 1 0 0 0 5 3 1 1 0 0 0 6 1 1 0 0 0 0 7 1 2 0 0 0 0 8 4 2 0 0 0 0 9 6 1 0 0 0 0 10 16 1 0 0 0 0 11 10 2 0 0 0 0 12 4 1 0 0 0 0 13 2 1 0 0 0 0 14 5 1 0 0 0 0 15 13 1 0 0 0 0 16 14 1 0 0 0 0 17 9 1 0 0 0 0 18 9 1 0 0 0 0 19 9 1 0 0 0 0 11 15 1 0 0 0 0 M END > AA356 > cis-8-tert-Butoxycarbonylamino-cyclooct-4-enecarboxylic acid > 1214974-89-6 > MFCD09475438 > <1g> 450 > <2.5g> 900 > <5g> 1620 > Racemic $$$$ Marvin 08131001042D 16 16 0 0 0 0 999 V2000 6.0231 -2.2394 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7359 -3.0136 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3737 -1.7274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9200 -2.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8181 -2.0147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6952 -2.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0179 -1.2155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1979 -3.7004 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4092 -2.5891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0065 -1.6525 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.3498 -3.5881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8960 -1.9897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2042 -2.3643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5464 -3.3758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3216 -2.5891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9160 -2.7764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 1 5 1 1 0 0 0 6 3 1 0 0 0 0 7 5 2 0 0 0 0 2 8 1 1 0 0 0 9 5 1 0 0 0 0 11 4 1 0 0 0 0 12 6 1 0 0 0 0 13 9 1 0 0 0 0 14 11 2 0 0 0 0 15 12 2 0 0 0 0 16 13 1 0 0 0 0 4 6 2 0 0 0 0 14 15 1 0 0 0 0 M END > AA357-1 > cis-1-Amino-indan-2-carboxylic acid ethyl ester hydrochloride > 327178-34-7 > <100mg> 70 > <250mg> 130 > <500mg> 230 > <1g> 390 > <2.5g> 780 > <5g> 1405 > Racemic > HCl $$$$ Marvin 08131001042D 9 9 0 0 1 0 999 V2000 6.3221 6.6842 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1088 6.9423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0682 5.8976 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2836 7.7456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7206 6.3929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5469 5.2359 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6562 7.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9944 6.6842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2441 5.8976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 2 1 0 0 0 0 3 6 1 1 0 0 0 7 1 1 0 0 0 0 8 7 1 0 0 0 0 9 3 1 0 0 0 0 8 9 1 0 0 0 0 M END > AA358 > (1R,2S)-2-Amino-cyclopentanecarboxylic acid > 122672-46-2 > MFCD00882461 > <250mg> 65 > <500mg> 110 > <1g> 185 > <2.5g> 370 > <5g> 670 > Chiral $$$$ Marvin 08131001042D 10 9 0 0 1 0 999 V2000 4.8125 -10.0542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6000 -9.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5542 -10.8417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7750 -8.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2125 -10.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0417 -11.5042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 -9.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5250 -9.7417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.4875 -10.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 -10.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 2 1 0 0 0 0 3 6 1 1 0 0 0 7 1 1 0 0 0 0 9 7 1 0 0 0 0 10 3 1 0 0 0 0 9 10 1 0 0 0 0 M END > AA358-1 > (1R,2S)-2-Amino-cyclopentanecarboxylic acid hydrochloride > 128110-37-2 > MFCD02181204 > <100mg> 110 > <250mg> 205 > <500mg> 360 > <1g> 620 > <2.5g> 1240 > <5g> 2235 > Chiral > HCl $$$$ Marvin 08131001042D 14 14 0 0 1 0 999 V2000 5.8914 -2.5470 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3674 -3.2192 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1023 -2.8058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1419 -1.7662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1023 -3.6325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8914 -3.8830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9561 -1.5908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1941 -3.2192 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5532 -1.1774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9811 -2.1587 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.3883 -2.3924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3883 -4.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6743 -2.8058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6743 -3.6325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 1 4 1 1 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 4 2 0 0 0 0 2 8 1 6 0 0 0 9 4 1 0 0 0 0 11 3 1 0 0 0 0 12 5 1 0 0 0 0 13 11 2 0 0 0 0 14 13 1 0 0 0 0 5 6 1 0 0 0 0 14 12 2 0 0 0 0 M END > AA359-1 > (R,R)-2-aminoindane-1-carboxylic acid hydrochloride > MFCD09997944 > <1g> DISC > Chiral > HCl $$$$ Marvin 08131001042D 16 16 0 0 1 0 999 V2000 5.1649 -10.4132 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4509 -9.1732 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7452 -9.5865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1649 -9.5865 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7452 -10.4132 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4509 -10.8141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4509 -9.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8789 -10.8266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8789 -11.6491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8789 -9.1732 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5928 -10.4132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9436 -9.3611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3236 -8.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3214 -9.4738 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.3151 -10.8266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0291 -10.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 5 7 1 1 0 0 0 1 8 1 1 0 0 0 9 8 2 0 0 0 0 4 10 1 1 0 0 0 11 8 1 0 0 0 0 12 3 1 0 0 0 0 13 3 1 0 0 0 0 15 11 1 0 0 0 0 16 15 1 0 0 0 0 2 7 1 1 0 0 0 3 2 1 0 0 0 0 M END > AA503-1 > Ethyl (1R,2R,3S,5R)-2-amino-6,6-dimethylbicyclo[3.1.1]heptan-3-carboxylate hydrochloride > 1027343-58-3 > MFCD09881416 > <100mg> 295 > <250mg> 575 > <500mg> 1010 > <1g> 1735 > Chiral > HCl $$$$ Marvin 08131001042D 14 14 0 0 1 0 999 V2000 5.5532 -10.4132 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8392 -9.1732 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1252 -9.5865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5532 -9.5865 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1252 -10.4132 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8392 -10.8141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8392 -9.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2672 -10.8266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2672 -11.6533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2672 -9.1732 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9811 -10.4132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3236 -9.3611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7119 -8.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0083 -9.5991 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 5 7 1 1 0 0 0 1 8 1 1 0 0 0 9 8 2 0 0 0 0 4 10 1 1 0 0 0 11 8 1 0 0 0 0 12 3 1 0 0 0 0 13 3 1 0 0 0 0 2 7 1 1 0 0 0 3 2 1 0 0 0 0 M END > AA505-1 > (1R,2R,3S,5R)-2-Amino-6,6-dimethylbicyclo[3.1.1]heptan-3-carboxylic acid hydrochloride > 1027343-50-5 > MFCD09881418 > <100mg> 290 > <250mg> 560 > <500mg> 985 > <1g> 1690 > Chiral > HCl $$$$ Marvin 08131001042D 20 21 0 0 1 0 999 V2000 5.1661 -10.8738 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1661 -10.0405 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4537 -9.6239 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7413 -10.0405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7413 -10.8738 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4537 -11.2737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8660 -8.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4537 -10.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8785 -9.6364 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8785 -11.2862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5784 -8.3865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1536 -8.3990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8785 -12.1111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3034 -8.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5909 -10.8738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9414 -9.8239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3163 -9.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0033 -9.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0033 -8.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2909 -9.6239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 7 9 1 0 0 0 0 5 8 1 1 0 0 0 2 9 1 1 0 0 0 1 10 1 1 0 0 0 11 7 1 0 0 0 0 12 7 2 0 0 0 0 13 10 2 0 0 0 0 14 11 1 0 0 0 0 15 10 1 0 0 0 0 16 4 1 0 0 0 0 17 4 1 0 0 0 0 18 14 1 0 0 0 0 19 14 1 0 0 0 0 20 14 1 0 0 0 0 3 8 1 1 0 0 0 4 3 1 0 0 0 0 M END > AA506 > (1R,2R,3S,5R)-(2-tert-Butoxycarbonylamino)-6,6-dimethylbicyclo[3.1.1]heptan-3-carboxylic acid > 1027343-59-4 > MFCD09881419 > <100mg> 295 > <250mg> 575 > <500mg> 1010 > <1g> 1735 > Chiral $$$$ Marvin 08131001042D 16 16 0 0 1 0 999 V2000 5.1595 -10.3983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4463 -9.1595 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7331 -9.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1595 -9.5724 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7331 -10.3983 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4463 -10.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4463 -9.9770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8728 -10.8112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8728 -11.6370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8728 -9.1595 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5985 -10.3983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9322 -9.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3201 -8.8509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1251 -9.6517 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.2992 -10.8112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0250 -10.3983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 5 7 1 1 0 0 0 8 1 1 6 0 0 0 9 8 2 0 0 0 0 4 10 1 1 0 0 0 11 8 1 0 0 0 0 12 3 1 0 0 0 0 13 3 1 0 0 0 0 15 11 1 0 0 0 0 16 15 1 0 0 0 0 2 7 1 1 0 0 0 2 3 1 0 0 0 0 M END > AA507-1 > (1R,2R,3R,5R)-Ethyl-2-amino-6,6-dimethylbicyclo[3.1.1]heptan-3-carboxylate hydrochloride > 1027343-69-6 > MFCD09881420 > <100mg> 375 > <250mg> 720 > <500mg> 1265 > <1g> 2180 > Chiral > HCl $$$$ Marvin 08131001042D 14 14 0 0 1 0 999 V2000 5.6917 -10.4375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9792 -9.2000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2750 -9.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6917 -9.6125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2750 -10.4375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9792 -10.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9875 -10.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4125 -10.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4042 -11.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4125 -9.2000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1250 -10.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4750 -9.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8542 -8.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1542 -9.5167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 5 7 1 1 0 0 0 1 8 1 6 0 0 0 9 8 2 0 0 0 0 4 10 1 1 0 0 0 11 8 1 0 0 0 0 12 3 1 0 0 0 0 13 3 1 0 0 0 0 2 7 1 1 0 0 0 3 2 1 0 0 0 0 M END > AA508-1 > (1R,2R,3R,5R)-2-Amino-6,6-dimethylbicyclo[3.1.1]heptan-3-carboxylic acid hydrochloride > 1027343-52-7 > MFCD09881421 > <100mg> 375 > <250mg> 720 > <500mg> 1265 > <1g> 2180 > Chiral > HCl $$$$ Marvin 08131001042D 20 21 0 0 1 0 999 V2000 5.3903 -6.5553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3903 -5.7285 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6764 -5.3152 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9707 -5.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9749 -6.5553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6764 -6.9686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1126 -4.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6889 -6.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1169 -5.3277 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1169 -6.9686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8266 -4.0751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3903 -4.0877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1043 -7.7953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5448 -4.4885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8266 -6.5678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7495 -4.9352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1733 -5.9540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2546 -4.0751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5448 -5.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2588 -4.9018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 7 9 1 0 0 0 0 5 8 1 1 0 0 0 2 9 1 1 0 0 0 1 10 1 6 0 0 0 11 7 1 0 0 0 0 12 7 2 0 0 0 0 13 10 2 0 0 0 0 14 11 1 0 0 0 0 15 10 1 0 0 0 0 16 4 1 0 0 0 0 17 4 1 0 0 0 0 18 14 1 0 0 0 0 19 14 1 0 0 0 0 20 14 1 0 0 0 0 3 8 1 1 0 0 0 4 3 1 0 0 0 0 M END > AA509 > (1R,2R,3R,5R)-(2-tert-Butoxycarbonylamino)-6,6-dimethylbicyclo[3.1.1]heptan-3-carboxylic acid > 1027343-75-4 > MFCD09881422 > <100mg> 375 > <250mg> 720 > <500mg> 1265 > <1g> 2180 > Chiral $$$$ Marvin 08131001042D 26 29 0 0 0 0 999 V2000 7.6209 -11.2166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0631 -12.4638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7138 -11.9674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3748 -12.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4385 -11.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8565 -7.8003 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7814 -10.0111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6365 -7.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6187 -8.5887 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1110 -9.2519 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1121 -10.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2819 -10.6743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9680 -10.1112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7992 -6.7116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 -8.0756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1724 -7.3248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0131 -13.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5272 -12.1051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9641 -10.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6448 -12.3679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7845 -8.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5092 -7.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0611 -11.4877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 -13.6568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5823 -13.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7650 -10.7160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 2 0 0 0 0 3 5 2 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 9 1 0 0 0 0 7 12 1 0 0 0 0 6 8 1 1 0 0 0 9 10 1 1 0 0 0 10 7 1 0 0 0 0 11 1 1 0 0 0 0 12 11 1 0 0 0 0 13 7 2 0 0 0 0 14 8 2 0 0 0 0 15 8 1 0 0 0 0 16 6 1 0 0 0 0 17 2 1 0 0 0 0 18 3 1 0 0 0 0 19 5 1 0 0 0 0 20 4 1 0 0 0 0 21 9 1 0 0 0 0 22 21 1 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 25 20 2 0 0 0 0 26 19 2 0 0 0 0 2 3 1 0 0 0 0 18 23 2 0 0 0 0 24 17 2 0 0 0 0 22 16 1 0 0 0 0 M END > AA510 > cis-2-(9-Fluorenylmethoxycarbonylamino)cyclopentanecarboxylic acid > 352707-76-7 > MFCD02682631 > <250mg> 45 > <500mg> 75 > <1g> 125 > Racemic $$$$ Marvin 08131001042D 27 30 0 0 0 0 999 V2000 7.4446 -10.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3214 -11.4362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7556 -10.7264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5198 -11.2483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2212 -10.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5887 -7.8955 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5887 -8.7222 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3027 -9.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3027 -7.4822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3027 -9.1439 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7431 -9.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0166 -10.3882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8747 -9.1356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5887 -10.3840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3027 -6.6513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1607 -8.7222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0166 -7.8955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5719 -12.2170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5615 -10.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8747 -7.4696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4842 -9.3235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9644 -11.8412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1607 -7.8955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2024 -12.6386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2942 -9.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8370 -9.7953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0083 -12.8182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 2 0 0 0 0 3 5 2 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 7 1 0 0 0 0 7 10 1 1 0 0 0 8 12 1 0 0 0 0 6 9 1 1 0 0 0 10 8 1 0 0 0 0 11 1 1 0 0 0 0 12 11 1 0 0 0 0 13 7 1 0 0 0 0 14 8 2 0 0 0 0 15 9 2 0 0 0 0 16 13 2 0 0 0 0 17 9 1 0 0 0 0 18 2 1 0 0 0 0 19 3 1 0 0 0 0 20 6 1 0 0 0 0 21 5 1 0 0 0 0 22 4 1 0 0 0 0 23 16 1 0 0 0 0 24 22 2 0 0 0 0 25 21 2 0 0 0 0 26 25 1 0 0 0 0 27 24 1 0 0 0 0 2 3 1 0 0 0 0 19 26 2 0 0 0 0 27 18 2 0 0 0 0 23 20 1 0 0 0 0 M END > AA511 > cis-2-(9-Fluorenylmethoxycarbonylamino)cyclohex-3-enecarboxylic acid > 233600-20-9 > MFCD09881423 > <100mg> 90 > <250mg> 170 > <500mg> 300 > <1g> 510 > <2.5g> 1020 > <5g> 1840 > Racemic $$$$ Marvin 08131001042D 28 31 0 0 0 0 999 V2000 7.6292 -10.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5375 -11.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9417 -10.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7167 -11.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3875 -10.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -7.8792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4792 -9.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 -7.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -8.7042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4792 -9.1292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9042 -9.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2042 -10.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -10.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 -6.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2042 -7.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7917 -12.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7417 -10.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6375 -9.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1792 -11.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1167 -7.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1167 -9.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 -7.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4417 -9.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9917 -9.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2500 -12.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4417 -12.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 -9.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9667 -8.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 2 0 0 0 0 3 5 2 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 9 1 0 0 0 0 7 12 1 0 0 0 0 6 8 1 1 0 0 0 9 10 1 1 0 0 0 10 7 1 0 0 0 0 11 1 1 0 0 0 0 12 11 1 0 0 0 0 13 7 2 0 0 0 0 14 8 2 0 0 0 0 15 8 1 0 0 0 0 16 2 1 0 0 0 0 17 3 1 0 0 0 0 18 5 1 0 0 0 0 19 4 1 0 0 0 0 20 6 1 0 0 0 0 21 9 1 0 0 0 0 22 20 1 0 0 0 0 23 18 2 0 0 0 0 24 23 1 0 0 0 0 25 26 1 0 0 0 0 26 19 2 0 0 0 0 27 21 1 0 0 0 0 28 27 1 0 0 0 0 2 3 1 0 0 0 0 17 24 2 0 0 0 0 25 16 2 0 0 0 0 28 22 1 0 0 0 0 M END > AA512 > cis-2-(9-Fluorenylmethoxycarbonylamino)cycloheptanecarboxylic acid > 1212250-46-8 > MFCD09881424 > <100mg> 100 > <250mg> 195 > <500mg> 340 > <1g> 580 > <2.5g> 1160 > <5g> 2090 > Racemic $$$$ Marvin 08131001042D 22 22 0 0 0 0 999 V2000 6.1667 -9.6667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9167 -10.4542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0917 -10.4625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8625 -8.6292 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.8292 -9.6792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4917 -9.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0875 -11.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4042 -11.1167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9375 -9.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 -7.8292 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 4.0417 -9.4375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5792 -12.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -11.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1000 -8.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4000 -12.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 -11.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5542 -9.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2125 -12.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8917 -13.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7250 -11.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3375 -9.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9667 -10.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 11 2 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 7 8 1 0 0 0 0 2 8 1 1 0 0 0 1 9 1 1 0 0 0 10 4 2 0 0 0 0 5 11 1 6 0 0 0 12 7 1 0 0 0 0 13 7 2 0 0 0 0 14 9 2 0 0 0 0 15 12 1 0 0 0 0 3 16 1 1 0 0 0 17 9 1 0 0 0 0 18 15 1 0 0 0 0 19 15 1 0 0 0 0 20 15 1 0 0 0 0 21 17 1 0 0 0 0 22 21 1 0 0 0 0 3 5 1 0 0 0 0 M CHG 2 4 1 10 -1 M END > AA513 > Ethyl (1R*,2R*,3R*,4R*)-4-azido-2-(tert-butoxycarbonylamino)-3-hydroxycyclopentane-carboxylate > 959745-80-3 > MFCD09881425 > <100mg> 375 > <250mg> 720 > <500mg> 1265 > <1g> 2180 > Racemic $$$$ Marvin 08131001042D 19 20 0 0 0 0 999 V2000 4.9584 -10.4276 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1528 -10.2158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6968 -9.6469 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7848 -10.4193 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0298 -9.6302 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3488 -9.1485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9468 -11.8353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2707 -11.0754 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8022 -9.3603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4451 -12.4956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1245 -11.9350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9684 -8.5630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2549 -12.4002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4168 -9.9085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7532 -13.0563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5788 -11.6402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0771 -12.3877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2017 -9.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8246 -10.1950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 6 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 3 1 0 0 0 0 7 8 1 0 0 0 0 4 8 1 1 0 0 0 5 9 1 1 0 0 0 10 7 1 0 0 0 0 11 7 2 0 0 0 0 12 9 2 0 0 0 0 13 10 1 0 0 0 0 14 9 1 0 0 0 0 15 13 1 0 0 0 0 16 13 1 0 0 0 0 17 13 1 0 0 0 0 18 14 1 0 0 0 0 19 18 1 0 0 0 0 3 2 1 6 0 0 0 6 5 1 0 0 0 0 M END > AA514 > Ethyl (1S*,2R*,3R*,5R*)-2-(tert-butoxycarbonylamino)-6-oxa-bicyclo[3.1.0]hexane-3-carboxylate > 959745-87-0 > MFCD09881426 > <100mg> 295 > <250mg> 575 > <500mg> 1010 > <1g> 1735 > Racemic $$$$ Marvin 08131001042D 22 22 0 0 0 0 999 V2000 6.4500 -9.7105 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2117 -10.5088 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3924 -10.5256 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0297 -8.7281 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.1207 -9.7481 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7811 -9.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3998 -11.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7133 -11.1651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2275 -9.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7538 -7.9506 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 4.3181 -9.5098 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9014 -12.5822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5847 -12.0388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3780 -8.6194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7249 -12.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9200 -11.2111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8545 -9.9738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2265 -13.1298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0426 -11.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5442 -12.4024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6403 -9.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2715 -10.2246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 11 2 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 7 8 1 0 0 0 0 2 8 1 1 0 0 0 1 9 1 6 0 0 0 10 4 2 0 0 0 0 5 11 1 1 0 0 0 12 7 1 0 0 0 0 13 7 2 0 0 0 0 14 9 2 0 0 0 0 15 12 1 0 0 0 0 3 16 1 6 0 0 0 17 9 1 0 0 0 0 18 15 1 0 0 0 0 19 15 1 0 0 0 0 20 15 1 0 0 0 0 21 17 1 0 0 0 0 22 21 1 0 0 0 0 3 5 1 0 0 0 0 M CHG 2 4 1 10 -1 M END > AA515 > Ethyl (1S*,2R*,3S*,4S*)-4-azido-2-(tert-butoxycarbonylamino)-3-hydroxycyclopentane-carboxylate > 959745-90-5 > MFCD09881427 > <100mg> 375 > <250mg> 720 > <500mg> 1265 > <1g> 2180 > Racemic $$$$ Marvin 08131001042D 21 21 0 0 0 0 999 V2000 6.4813 -9.4340 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2159 -10.2100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1377 -9.4218 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8116 -8.9358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3506 -11.6394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3909 -10.2100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7018 -10.8839 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2654 -9.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3536 -9.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5694 -8.8991 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8366 -12.3051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5298 -11.7293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4411 -8.3681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6371 -12.2194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9049 -10.8716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8821 -9.7281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1149 -12.8768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9679 -11.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4457 -12.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6540 -9.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2789 -10.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 7 1 0 0 0 0 6 2 1 0 0 0 0 2 7 1 1 0 0 0 1 8 1 1 0 0 0 3 9 1 6 0 0 0 10 9 3 0 0 0 0 11 5 1 0 0 0 0 12 5 2 0 0 0 0 13 8 2 0 0 0 0 14 11 1 0 0 0 0 6 15 1 1 0 0 0 16 8 1 0 0 0 0 17 14 1 0 0 0 0 18 14 1 0 0 0 0 19 14 1 0 0 0 0 20 16 1 0 0 0 0 21 20 1 0 0 0 0 6 3 1 0 0 0 0 M END > AA516 > Ethyl (1R*,2R*,3S*,4S*)-2-(tert-butoxycarbonylamino)-4-cyano-3-hydroxycyclopentane-carboxylate > MFCD09881428 > <100mg> 375 > <250mg> 720 > <500mg> 1265 > <1g> 2180 > Racemic $$$$ Marvin 08131001042D 19 20 0 0 0 0 999 V2000 4.7667 -5.1625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9417 -5.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4917 -4.3792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6000 -5.1417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8292 -4.3375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1417 -3.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6917 -6.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1042 -5.7917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5292 -3.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 -7.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 -6.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5167 -3.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9375 -7.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 -4.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3417 -6.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3542 -7.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7542 -7.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9542 -3.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6750 -4.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 6 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 3 1 0 0 0 0 7 8 1 0 0 0 0 4 8 1 1 0 0 0 5 9 1 6 0 0 0 10 7 1 0 0 0 0 11 7 2 0 0 0 0 12 9 2 0 0 0 0 13 10 1 0 0 0 0 14 9 1 0 0 0 0 15 13 1 0 0 0 0 16 13 1 0 0 0 0 17 13 1 0 0 0 0 18 14 1 0 0 0 0 19 18 1 0 0 0 0 3 2 1 6 0 0 0 6 5 1 0 0 0 0 M END > AA517 > Ethyl (1S*,2R*,3S*,5R*)-2-(tert-butoxycarbonylamino)-6-oxa-bicyclo[3.1.0]hexane-3-carboxylate > 959745-88-1 > MFCD09881429 > <100mg> 295 > <250mg> 575 > <500mg> 1010 > <1g> 1735 > Racemic $$$$ Marvin 08131001042D 22 22 0 0 0 0 999 V2000 6.7595 -9.6189 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5056 -10.4056 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6814 -10.4056 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0582 -9.9519 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.4317 -9.6272 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0977 -9.1403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6471 -11.8166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9843 -11.0674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5420 -9.3650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4713 -10.5305 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 4.6492 -9.3692 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1299 -12.4909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8230 -11.9040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7085 -8.5659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9457 -12.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1987 -11.0674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1455 -9.9186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4327 -13.0778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2912 -11.6543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7698 -12.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9280 -9.6647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5440 -10.2183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 11 2 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 7 8 1 0 0 0 0 2 8 1 1 0 0 0 1 9 1 1 0 0 0 10 4 2 0 0 0 0 5 11 1 1 0 0 0 12 7 1 0 0 0 0 13 7 2 0 0 0 0 14 9 2 0 0 0 0 15 12 1 0 0 0 0 3 16 1 6 0 0 0 17 9 1 0 0 0 0 18 15 1 0 0 0 0 19 15 1 0 0 0 0 20 15 1 0 0 0 0 21 17 1 0 0 0 0 22 21 1 0 0 0 0 3 5 1 0 0 0 0 M CHG 2 4 1 10 -1 M END > AA518 > Ethyl (1R*,2R*,3S*,4S*)-4-azido-2-(tert-butoxycarbonylamino)-3-hydroxycyclopentane-carboxylate > 959745-89-2 > MFCD09881430 > <100mg> 375 > <250mg> 720 > <500mg> 1265 > <1g> 2180 > Racemic $$$$ Marvin 08131001042D 27 30 0 0 0 0 999 V2000 4.4862 -10.5246 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6830 -10.3623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2365 -9.7423 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3185 -10.5246 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5682 -9.7298 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8982 -9.2554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3464 -9.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8054 -11.1780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4725 -11.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9540 -10.0294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6485 -12.0228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5295 -8.6769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9552 -12.5888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7405 -9.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7709 -12.4972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3523 -10.3415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2661 -13.1589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1263 -10.0918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1692 -11.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0818 -13.0715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9332 -13.9122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7767 -11.7024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5770 -13.7332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4201 -14.5821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7423 -10.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5675 -11.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2399 -14.4823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 3 1 0 0 0 0 5 7 1 1 0 0 0 4 8 1 1 0 0 0 9 8 1 0 0 0 0 10 7 1 0 0 0 0 11 9 2 0 0 0 0 12 7 2 0 0 0 0 13 9 1 0 0 0 0 14 10 1 0 0 0 0 15 13 1 0 0 0 0 16 14 1 0 0 0 0 17 15 1 0 0 0 0 18 16 2 0 0 0 0 19 16 1 0 0 0 0 20 17 2 0 0 0 0 21 17 1 0 0 0 0 22 19 2 0 0 0 0 23 20 1 0 0 0 0 24 21 2 0 0 0 0 25 18 1 0 0 0 0 26 22 1 0 0 0 0 27 24 1 0 0 0 0 3 2 1 1 0 0 0 6 5 1 0 0 0 0 27 23 2 0 0 0 0 26 25 2 0 0 0 0 M END > AA520 > Benzyl (1R*,2R*,3R*,5S*)-2-(benzyloxycarbonylamino)-6-oxa-bicyclo[3.1.0]hexane-3-carboxylate > 959745-78-9 > MFCD09881432 > <100mg> 295 > <250mg> 575 > <500mg> 1010 > <1g> 1735 > Racemic $$$$ Marvin 08131001042D 29 33 0 0 0 0 999 V2000 4.2795 -8.7178 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4771 -8.5422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0413 -7.9279 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1153 -8.7303 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3786 -7.9404 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2514 -11.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7141 -7.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9475 -10.7948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0102 -11.6139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6998 -10.4605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8335 -11.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5917 -9.4073 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1601 -7.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2449 -10.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0789 -10.9996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4174 -10.2348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7213 -10.8324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3482 -6.8873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7744 -8.2664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2788 -10.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4711 -12.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0759 -12.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7959 -9.6413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5643 -8.0282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1314 -9.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5242 -13.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7218 -12.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3666 -9.4825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1661 -8.5924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 15 1 0 0 0 0 7 3 1 0 0 0 0 8 10 2 0 0 0 0 9 11 2 0 0 0 0 10 6 1 0 0 0 0 11 6 1 0 0 0 0 4 12 1 1 0 0 0 5 13 1 1 0 0 0 14 12 1 0 0 0 0 15 16 1 0 0 0 0 16 14 1 0 0 0 0 17 14 2 0 0 0 0 18 13 2 0 0 0 0 19 13 1 0 0 0 0 20 8 1 0 0 0 0 21 9 1 0 0 0 0 22 11 1 0 0 0 0 23 10 1 0 0 0 0 24 19 1 0 0 0 0 25 23 2 0 0 0 0 26 22 2 0 0 0 0 27 26 1 0 0 0 0 28 25 1 0 0 0 0 29 24 1 0 0 0 0 3 2 1 1 0 0 0 7 5 1 0 0 0 0 8 9 1 0 0 0 0 21 27 2 0 0 0 0 28 20 2 0 0 0 0 M END > AA523 > Ethyl (1R*,2R*,3R*,5S*)-2-(9-fluorenylmethoxycarbonylamino)-6-oxa-bicyclo[3.1.0]hexane-3-carboxylate > 959745-77-8 > MFCD09881435 > <100mg> 295 > <250mg> 575 > <500mg> 1010 > <1g> 1735 > Racemic $$$$ Marvin 08131001042D 27 30 0 0 0 0 999 V2000 9.7688 -10.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6625 -11.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0741 -10.6418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5254 -10.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8519 -11.1656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9213 -7.8733 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6321 -9.9310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6363 -7.4617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9213 -8.6963 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6363 -9.1079 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0455 -9.9310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3347 -10.3425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9130 -10.3300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6363 -6.6262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4996 -7.8733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4996 -8.6963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3472 -7.8733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2105 -7.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2105 -9.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9037 -12.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8847 -10.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2949 -11.7766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7872 -9.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3508 -12.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1383 -9.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5771 -9.0787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5444 -12.5498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 2 0 0 0 0 3 4 2 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 9 1 0 0 0 0 7 12 1 0 0 0 0 6 8 1 6 0 0 0 9 10 1 1 0 0 0 10 7 1 0 0 0 0 11 1 1 0 0 0 0 12 11 1 0 0 0 0 13 7 2 0 0 0 0 14 8 2 0 0 0 0 15 16 2 0 0 0 0 16 19 1 0 0 0 0 17 8 1 0 0 0 0 18 6 1 0 0 0 0 19 9 1 0 0 0 0 20 2 1 0 0 0 0 21 3 1 0 0 0 0 22 5 1 0 0 0 0 23 4 1 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 26 23 2 0 0 0 0 27 22 2 0 0 0 0 3 2 1 0 0 0 0 20 24 2 0 0 0 0 25 21 2 0 0 0 0 15 18 1 0 0 0 0 M END > AA524 > trans-2-(9-Fluorenylmethoxycarbonylamino)cyclohex-4-enecarboxylic acid > 264273-06-5 > MFCD02682630 > <250mg> 55 > <500mg> 95 > <1g> 160 > Racemic $$$$ Marvin 08131001042D 27 30 0 0 0 0 999 V2000 9.8091 -10.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1239 -10.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7190 -11.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5729 -10.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9050 -11.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9498 -7.8932 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6636 -9.9719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6678 -7.4925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9498 -8.7196 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6636 -9.1329 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0953 -9.9593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3815 -10.3851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9415 -10.3851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6678 -6.6535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3815 -7.9057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9253 -10.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9736 -12.1382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3583 -11.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8108 -9.2456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2360 -7.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2360 -9.1329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5140 -7.8932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6206 -9.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6212 -12.5890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4310 -12.7518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1758 -9.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5140 -8.7196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 2 0 0 0 0 3 5 2 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 9 1 0 0 0 0 7 12 1 0 0 0 0 6 8 1 1 0 0 0 9 10 1 1 0 0 0 10 7 1 0 0 0 0 11 1 1 0 0 0 0 12 11 1 0 0 0 0 13 7 2 0 0 0 0 14 8 2 0 0 0 0 15 8 1 0 0 0 0 16 2 1 0 0 0 0 17 3 1 0 0 0 0 18 5 1 0 0 0 0 19 4 1 0 0 0 0 20 6 1 0 0 0 0 21 9 1 0 0 0 0 22 27 1 0 0 0 0 23 19 2 0 0 0 0 24 18 2 0 0 0 0 25 24 1 0 0 0 0 26 23 1 0 0 0 0 27 21 1 0 0 0 0 2 3 1 0 0 0 0 17 25 2 0 0 0 0 26 16 2 0 0 0 0 22 20 1 0 0 0 0 M END > AA525 > cis-2-(9-Fluorenylmethoxycarbonylamino)cyclohexanecarboxylic acid > 194471-85-7 > MFCD02682625 > <250mg> 45 > <500mg> 75 > <1g> 125 > Racemic $$$$ Marvin 08131001042D 27 30 0 0 0 0 999 V2000 9.8091 -10.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1239 -10.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7190 -11.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5729 -10.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9050 -11.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9498 -7.8932 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6636 -9.9719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6678 -7.4925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9498 -8.7196 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6636 -9.1329 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0953 -9.9593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3815 -10.3851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9415 -10.3851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6678 -6.6535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5140 -7.8932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5140 -8.7196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3815 -7.9057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2360 -7.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2360 -9.1329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9253 -10.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9736 -12.1382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3583 -11.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8108 -9.2456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6206 -9.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6212 -12.5890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4310 -12.7518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1758 -9.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 2 0 0 0 0 3 5 2 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 9 1 0 0 0 0 7 12 1 0 0 0 0 6 8 1 1 0 0 0 9 10 1 1 0 0 0 10 7 1 0 0 0 0 11 1 1 0 0 0 0 12 11 1 0 0 0 0 13 7 2 0 0 0 0 14 8 2 0 0 0 0 15 16 2 0 0 0 0 16 19 1 0 0 0 0 17 8 1 0 0 0 0 18 6 1 0 0 0 0 19 9 1 0 0 0 0 20 2 1 0 0 0 0 21 3 1 0 0 0 0 22 5 1 0 0 0 0 23 4 1 0 0 0 0 24 23 2 0 0 0 0 25 22 2 0 0 0 0 26 25 1 0 0 0 0 27 24 1 0 0 0 0 2 3 1 0 0 0 0 21 26 2 0 0 0 0 27 20 2 0 0 0 0 15 18 1 0 0 0 0 M END > AA526 > cis-2-(9-Fluorenylmethoxycarbonylamino)cyclohex-4-enecarboxylic acid > 1212305-88-8 > MFCD02682628 > <250mg> 30 > <500mg> 55 > <1g> 90 > Racemic $$$$ Marvin 08131001042D 28 32 0 0 0 0 999 V2000 6.9572 -7.9236 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9572 -8.7519 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8062 -10.4295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6973 -11.4377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1240 -10.7181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8940 -11.2495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5718 -10.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2418 -7.5052 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6809 -9.1661 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2418 -9.1619 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6809 -7.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6726 -9.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4552 -8.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1033 -10.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3754 -10.4086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5348 -7.9236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9530 -10.3960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5348 -8.7519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6851 -6.6811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3963 -7.9236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9272 -10.5592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9483 -12.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3293 -11.8602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8437 -9.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6386 -9.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5803 -12.6426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3918 -12.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1908 -9.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 14 1 0 0 0 0 4 6 2 0 0 0 0 5 7 2 0 0 0 0 6 3 1 0 0 0 0 7 3 1 0 0 0 0 8 1 1 0 0 0 0 2 9 1 1 0 0 0 10 2 1 0 0 0 0 1 11 1 1 0 0 0 12 9 1 0 0 0 0 8 13 1 1 0 0 0 14 15 1 0 0 0 0 15 12 1 0 0 0 0 16 8 1 0 0 0 0 17 12 2 0 0 0 0 18 16 1 0 0 0 0 19 11 2 0 0 0 0 20 11 1 0 0 0 0 21 5 1 0 0 0 0 22 4 1 0 0 0 0 23 6 1 0 0 0 0 24 7 1 0 0 0 0 25 24 2 0 0 0 0 26 23 2 0 0 0 0 27 26 1 0 0 0 0 28 25 1 0 0 0 0 10 13 1 1 0 0 0 18 10 1 0 0 0 0 5 4 1 0 0 0 0 28 21 2 0 0 0 0 22 27 2 0 0 0 0 M END > AA529 > 3-(exo-9-Fluorenylmethoxycarbonylamino)bicyclo[2.2.1]heptane-2-exo-carboxylic acid > 352707-75-6 > MFCD02682614 > <100mg> 55 > <250mg> 100 > <500mg> 175 > <1g> 300 > <2.5g> 600 > <5g> 1080 > Racemic $$$$ Marvin 08131001042D 28 32 0 0 0 0 999 V2000 4.2380 -8.5093 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2380 -9.3360 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0813 -11.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9707 -12.0166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3924 -11.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1648 -11.8370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8454 -10.6846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5240 -8.0959 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9519 -9.7494 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5240 -9.7494 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9519 -8.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9519 -10.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7369 -8.8934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3757 -10.5886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6534 -10.9894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8100 -8.5093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2254 -10.9852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8100 -9.3360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9603 -7.2692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6659 -8.5176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1982 -11.1397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2170 -12.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6054 -12.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1085 -9.9122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9101 -9.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8559 -13.2274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6575 -13.4069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4613 -10.3631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 14 1 0 0 0 0 4 6 2 0 0 0 0 5 7 2 0 0 0 0 6 3 1 0 0 0 0 7 3 1 0 0 0 0 8 1 1 0 0 0 0 2 9 1 6 0 0 0 10 2 1 0 0 0 0 1 11 1 6 0 0 0 12 9 1 0 0 0 0 8 13 1 1 0 0 0 14 15 1 0 0 0 0 15 12 1 0 0 0 0 16 8 1 0 0 0 0 17 12 2 0 0 0 0 18 16 1 0 0 0 0 19 11 2 0 0 0 0 20 11 1 0 0 0 0 21 5 1 0 0 0 0 22 4 1 0 0 0 0 23 6 1 0 0 0 0 24 7 1 0 0 0 0 25 24 2 0 0 0 0 26 23 2 0 0 0 0 27 26 1 0 0 0 0 28 25 1 0 0 0 0 10 13 1 1 0 0 0 18 10 1 0 0 0 0 5 4 1 0 0 0 0 28 21 2 0 0 0 0 22 27 2 0 0 0 0 M END > AA530 > 3-(endo-9-Fluorenylmethoxycarbonylamino)bicyclo[2.2.1]heptane-2-endo-carboxylic acid > 917098-99-8 > MFCD02682612 > <100mg> 80 > <250mg> 150 > <500mg> 260 > <1g> 445 > <2.5g> 890 > <5g> 1605 > Racemic $$$$ Marvin 08131001042D 28 32 0 0 0 0 999 V2000 4.2380 -8.5093 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2380 -9.3360 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5240 -8.0959 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0813 -11.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3924 -11.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9707 -12.0166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8454 -10.6846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1648 -11.8370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5240 -9.7494 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9519 -9.7494 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9519 -8.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9519 -10.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8100 -8.5093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8100 -9.3360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7369 -8.8934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3757 -10.5886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6534 -10.9894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2254 -10.9852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9603 -7.2692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6659 -8.5176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1982 -11.1397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2170 -12.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6054 -12.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1085 -9.9122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9101 -9.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8559 -13.2274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6575 -13.4069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4613 -10.3631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 16 1 0 0 0 0 5 7 2 0 0 0 0 6 8 2 0 0 0 0 7 4 1 0 0 0 0 8 4 1 0 0 0 0 9 2 1 0 0 0 0 2 10 1 1 0 0 0 1 11 1 1 0 0 0 12 10 1 0 0 0 0 13 3 1 0 0 0 0 14 13 2 0 0 0 0 3 15 1 1 0 0 0 16 17 1 0 0 0 0 17 12 1 0 0 0 0 18 12 2 0 0 0 0 19 11 2 0 0 0 0 20 11 1 0 0 0 0 21 5 1 0 0 0 0 22 6 1 0 0 0 0 23 8 1 0 0 0 0 24 7 1 0 0 0 0 25 24 2 0 0 0 0 26 23 2 0 0 0 0 27 26 1 0 0 0 0 28 25 1 0 0 0 0 9 15 1 1 0 0 0 14 9 1 0 0 0 0 5 6 1 0 0 0 0 22 27 2 0 0 0 0 28 21 2 0 0 0 0 M END > AA531 > 3-(exo-9-Fluorenylmethoxycarbonylamino)bicyclo[2.2.1]hept-5-ene-2-exo-carboxylic acid > 1212223-66-9 > MFCD02682618 > <100mg> 80 > <250mg> 150 > <500mg> 260 > <1g> 445 > <2.5g> 890 > <5g> 1605 > Racemic $$$$ Marvin 08131001042D 28 32 0 0 0 0 999 V2000 4.2380 -8.5093 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2380 -9.3360 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5240 -8.0959 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0813 -11.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3924 -11.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9707 -12.0166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8454 -10.6846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1648 -11.8370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5240 -9.7494 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9519 -9.7494 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9519 -8.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9519 -10.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8100 -8.5093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8100 -9.3360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7369 -8.8934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3757 -10.5886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6534 -10.9894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2254 -10.9852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9603 -7.2692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6659 -8.5176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1982 -11.1397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2170 -12.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6054 -12.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1085 -9.9122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9101 -9.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8559 -13.2274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6575 -13.4069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4613 -10.3631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 16 1 0 0 0 0 5 7 2 0 0 0 0 6 8 2 0 0 0 0 7 4 1 0 0 0 0 8 4 1 0 0 0 0 9 2 1 0 0 0 0 2 10 1 6 0 0 0 1 11 1 6 0 0 0 12 10 1 0 0 0 0 13 3 1 0 0 0 0 14 13 2 0 0 0 0 3 15 1 1 0 0 0 16 17 1 0 0 0 0 17 12 1 0 0 0 0 18 12 2 0 0 0 0 19 11 2 0 0 0 0 20 11 1 0 0 0 0 21 5 1 0 0 0 0 22 6 1 0 0 0 0 23 8 1 0 0 0 0 24 7 1 0 0 0 0 25 24 2 0 0 0 0 26 23 2 0 0 0 0 27 26 1 0 0 0 0 28 25 1 0 0 0 0 9 15 1 1 0 0 0 14 9 1 0 0 0 0 5 6 1 0 0 0 0 22 27 2 0 0 0 0 28 21 2 0 0 0 0 M END > AA532 > 3-(endo-9-Fluorenylmethoxycarbonylamino)bicyclo[2.2.1]hept-5-ene-2-endo-carboxylic acid > 1212066-63-1 > MFCD02682616 > <100mg> 80 > <250mg> 150 > <500mg> 260 > <1g> 445 > <2.5g> 890 > <5g> 1605 > Racemic $$$$ Marvin 08131001042D 11 10 0 0 0 0 999 V2000 5.6885 -2.3404 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4756 -2.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4345 -3.1275 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6505 -1.2785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0877 -2.6402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9217 -3.7896 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0222 -1.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0200 -2.8401 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.3643 -2.3404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6099 -3.1275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8706 -2.3779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 2 1 0 0 0 0 3 6 1 1 0 0 0 7 1 1 0 0 0 0 9 7 1 0 0 0 0 10 3 1 0 0 0 0 11 5 1 0 0 0 0 9 10 1 0 0 0 0 M END > AA533-1 > Methyl cis-2-aminocyclopentanecarboxylate hydrochloride > 119993-55-4 > MFCD09997947 > <100mg> 70 > <250mg> 135 > <500mg> 235 > <1g> 405 > <2.5g> 810 > <5g> 1460 > Racemic > HCl $$$$ Marvin 08131001042D 13 13 0 0 0 0 999 V2000 5.7892 -10.2515 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0776 -9.8370 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2869 -10.6910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7892 -11.0803 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0776 -11.4905 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5050 -9.8454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3618 -10.2515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3618 -11.0803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5092 -9.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5050 -11.4947 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2124 -10.2598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7650 -11.5700 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.9366 -9.8496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 3 1 1 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 1 6 1 1 0 0 0 7 2 1 0 0 0 0 8 5 1 0 0 0 0 9 6 2 0 0 0 0 4 10 1 1 0 0 0 11 6 1 0 0 0 0 13 11 1 0 0 0 0 5 3 1 1 0 0 0 8 7 1 0 0 0 0 M END > AA534-1 > methyl diexo-3-Amino-7-oxa-bicyclo[2.2.1]heptane-2-carboxylate hydrochloride > 4505-16-2 > MFCD09997948 > <100mg> 70 > <250mg> 135 > <500mg> 235 > <1g> 400 > <2.5g> 800 > <5g> 1440 > Racemic > HCl $$$$ Marvin 08131001042D 11 10 0 0 1 0 999 V2000 6.1000 -10.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8167 -9.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1000 -11.0750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8250 -9.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6792 -10.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6792 -11.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5292 -10.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8167 -11.4875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3875 -9.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8375 -9.6792 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.3875 -11.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 6 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 9 1 0 0 0 0 6 5 2 0 0 0 0 7 2 1 0 0 0 0 3 8 1 6 0 0 0 9 1 1 0 0 0 0 11 3 1 0 0 0 0 11 6 1 0 0 0 0 M END > AA537-1 > (1S,2R)-(-)-2-Amino-1-cyclohex-4-enecarboxylic acid hydrochloride > 795309-07-8 > <100mg> 115 > <250mg> 220 > <500mg> 380 > <1g> 655 > <2.5g> 1310 > <5g> 2360 > Chiral > HCl $$$$ Marvin 08131001042D 16 16 0 0 0 0 999 V2000 5.7690 -9.2071 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8606 -11.3756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5109 -9.9937 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0853 -10.5806 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5598 -9.0405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4350 -11.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6868 -10.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0614 -11.5796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4246 -9.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8179 -8.2581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2341 -11.7627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0947 -8.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1093 -9.6441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8085 -12.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4589 -10.9677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0291 -11.5421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 3 4 1 1 0 0 0 1 5 1 1 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 2 2 0 0 0 0 9 12 1 0 0 0 0 10 5 2 0 0 0 0 11 6 1 0 0 0 0 12 1 1 0 0 0 0 13 5 1 0 0 0 0 14 11 1 0 0 0 0 15 11 1 0 0 0 0 16 11 1 0 0 0 0 9 7 2 0 0 0 0 M END > AA541 > cis-2-tert-Butoxycarbonylaminocyclopent-3-ene-1-carboxylic acid > 959746-05-5 > <100mg> 80 > <250mg> 150 > <500mg> 260 > <1g> 445 > <2.5g> 890 > <5g> 1605 > Racemic $$$$ Marvin 08131001042D 26 29 0 0 0 0 999 V2000 6.3036 -11.4633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2929 -12.3733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5749 -12.7782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9612 -12.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1176 -11.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9218 -7.7939 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6630 -8.5912 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6588 -10.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7233 -7.6185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0762 -9.3092 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8903 -10.7494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0637 -10.7452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8364 -8.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5817 -7.8022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8322 -10.0188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9779 -6.8379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2497 -7.3180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2743 -8.2322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4037 -13.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0694 -12.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1764 -12.4735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7312 -11.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6148 -13.8385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0011 -13.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5202 -11.2712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6913 -12.0769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 7 1 0 0 0 0 7 10 1 1 0 0 0 8 12 1 0 0 0 0 6 9 1 1 0 0 0 10 8 1 0 0 0 0 11 1 1 0 0 0 0 12 11 1 0 0 0 0 13 7 1 0 0 0 0 14 13 2 0 0 0 0 15 8 2 0 0 0 0 16 9 2 0 0 0 0 17 6 1 0 0 0 0 18 9 1 0 0 0 0 19 3 2 0 0 0 0 20 2 2 0 0 0 0 21 4 2 0 0 0 0 22 5 2 0 0 0 0 23 24 2 0 0 0 0 24 21 1 0 0 0 0 25 22 1 0 0 0 0 26 25 2 0 0 0 0 3 2 1 0 0 0 0 20 26 1 0 0 0 0 23 19 1 0 0 0 0 17 14 1 0 0 0 0 M END > AA542 > cis-2-(((9H-fluoren-9-yl)methoxy)carbonylamino)cyclopent-3-ene-1-carboxylic acid > 1212278-30-2 > <100mg> 75 > <250mg> 140 > <500mg> 245 > <1g> 420 > <2.5g> 840 > <5g> 1515 > Racemic $$$$ Marvin 08131001042D 15 15 0 0 1 0 999 V2000 5.8667 -10.6792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1542 -9.4417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4417 -10.6792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4417 -9.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8667 -9.8542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1542 -11.0917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1542 -10.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5792 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5792 -11.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5792 -9.4500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3000 -10.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 -9.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8542 -9.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1542 -11.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2125 -9.6792 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 3 7 1 1 0 0 0 1 8 1 1 0 0 0 9 8 2 0 0 0 0 5 10 1 1 0 0 0 11 8 1 0 0 0 0 12 4 1 0 0 0 0 13 4 1 0 0 0 0 6 14 1 6 0 0 0 2 7 1 1 0 0 0 4 2 1 0 0 0 0 M END > AA574-1 > (1R,2R,3S,4R,5R)-2-Amino-4,6,6-trimethylbicyclo[3.1.1]heptane-3-carboxylic acid hydrochloride > 1000304-35-7 > <100mg> 125 > <250mg> 235 > <500mg> 415 > <1g> 710 > <2.5g> 1420 > <5g> 2560 > Chiral > HCl $$$$ Marvin 08131001042D 15 15 0 0 1 0 999 V2000 5.8667 -10.6042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1542 -9.3667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4417 -10.6042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4417 -9.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8667 -9.7792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1542 -11.0167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1500 -10.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5792 -11.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5792 -11.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5792 -9.3667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3000 -10.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 -9.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8542 -9.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1542 -11.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2125 -9.3042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 3 7 1 6 0 0 0 1 8 1 6 0 0 0 9 8 2 0 0 0 0 5 10 1 6 0 0 0 11 8 1 0 0 0 0 12 4 1 0 0 0 0 13 4 1 0 0 0 0 6 14 1 1 0 0 0 2 7 1 6 0 0 0 4 2 1 0 0 0 0 M END > AA575-1 > (1S,2S,3R,4S,5S)-2-Amino-4,6,6-trimethylbicyclo[3.1.1]heptane-3-carboxylic acid hydrochloride > 1000304-41-5 > <100mg> 125 > <250mg> 235 > <500mg> 415 > <1g> 710 > <2.5g> 1420 > <5g> 2560 > Chiral > HCl $$$$ Marvin 08131001042D 21 22 0 0 1 0 999 V2000 4.8542 -11.1167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8542 -10.2917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1417 -9.8750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4292 -11.1167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4292 -10.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 -11.5250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1417 -10.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5792 -9.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5750 -9.8792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5750 -11.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -8.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 -8.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5750 -12.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0042 -9.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2875 -11.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6125 -10.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 -9.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 -12.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7250 -8.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 -9.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7167 -9.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 6 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 1 0 0 0 8 9 1 0 0 0 0 2 9 1 1 0 0 0 1 10 1 1 0 0 0 11 8 1 0 0 0 0 12 8 2 0 0 0 0 13 10 2 0 0 0 0 14 11 1 0 0 0 0 15 10 1 0 0 0 0 16 5 1 0 0 0 0 17 5 1 0 0 0 0 6 18 1 6 0 0 0 19 14 1 0 0 0 0 20 14 1 0 0 0 0 21 14 1 0 0 0 0 3 7 1 1 0 0 0 5 3 1 0 0 0 0 M END > AA576 > (1R,2R,3S,4R,5R)-2-tert-Butoxy-carbonylamino-4,6,6-trimethylbi-cyclo[3.1.1]heptane-3-carboxylic acid > 1000304-38-0 > <100mg> 125 > <250mg> 235 > <500mg> 415 > <1g> 710 > <2.5g> 1420 > <5g> 2560 > Chiral $$$$ Marvin 08131001042D 21 22 0 0 1 0 999 V2000 4.8667 -11.1167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8625 -10.2917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1500 -9.8750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4417 -11.1167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4417 -10.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1500 -11.5250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1417 -10.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5792 -9.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5792 -9.8792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5792 -11.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3000 -8.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 -8.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5792 -12.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 -9.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -11.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6125 -10.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -9.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1500 -12.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7292 -8.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0042 -9.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7250 -9.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 6 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 6 0 0 0 8 9 1 0 0 0 0 2 9 1 6 0 0 0 1 10 1 6 0 0 0 11 8 1 0 0 0 0 12 8 2 0 0 0 0 13 10 2 0 0 0 0 14 11 1 0 0 0 0 15 10 1 0 0 0 0 16 5 1 0 0 0 0 17 5 1 0 0 0 0 6 18 1 1 0 0 0 19 14 1 0 0 0 0 20 14 1 0 0 0 0 21 14 1 0 0 0 0 3 7 1 6 0 0 0 5 3 1 0 0 0 0 M END > AA577 > (1S,2S,3R,4S,5S)- 2-tert-Butoxy-carbonylamino-4,6,6-trimethylbi-cyclo[3.1.1]heptane-3-carboxylic acid > 1173664-54-4 > <100mg> 125 > <250mg> 235 > <500mg> 415 > <1g> 710 > <2.5g> 1420 > <5g> 2560 > Chiral $$$$ Marvin 08131001042D 11 10 0 0 1 0 999 V2000 5.4042 -5.1917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1167 -4.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 -6.0167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1292 -3.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9792 -5.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9792 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8292 -5.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1167 -6.4292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6917 -4.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1417 -4.6167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6917 -6.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 9 1 0 0 0 0 6 5 2 0 0 0 0 7 2 1 0 0 0 0 3 8 1 1 0 0 0 9 1 1 0 0 0 0 11 3 1 0 0 0 0 11 6 1 0 0 0 0 M END > AA578-1 > (1R,2S)-2-Amino-1-cyclohex-4-enecarboxylic acid hydrochloride > 795309-09-0 > <100mg> 90 > <250mg> 170 > <500mg> 295 > <1g> 505 > <2.5g> 1010 > <5g> 1820 > Chiral > HCl $$$$ Marvin 08131001042D 21 23 0 0 0 0 999 V2000 5.0605 -3.4238 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0605 -4.2380 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3465 -3.0104 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5594 -3.7996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3465 -4.6513 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7661 -4.6513 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7744 -3.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7661 -5.4780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6367 -3.4238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6367 -4.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0479 -5.8914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7744 -2.1837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4801 -5.8997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4801 -3.4238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1941 -5.4863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9081 -5.9039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9038 -6.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6220 -5.4906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3360 -5.9039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6095 -7.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3360 -6.7389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 3 4 1 1 0 0 0 5 2 1 0 0 0 0 2 6 1 1 0 0 0 1 7 1 1 0 0 0 8 6 1 0 0 0 0 9 3 1 0 0 0 0 10 9 2 0 0 0 0 11 8 2 0 0 0 0 12 7 2 0 0 0 0 13 8 1 0 0 0 0 14 7 1 0 0 0 0 15 13 1 0 0 0 0 16 15 1 0 0 0 0 17 16 2 0 0 0 0 18 16 1 0 0 0 0 19 18 2 0 0 0 0 20 17 1 0 0 0 0 21 19 1 0 0 0 0 5 4 1 1 0 0 0 5 10 1 0 0 0 0 21 20 2 0 0 0 0 M END > AA579 > diexo-Benzyloxyamino-7-oxa-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid > <1g> DISC > Racemic $$$$ Marvin 08131001042D 17 17 0 0 1 0 999 V2000 6.7217 -11.6984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0095 -9.6245 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7259 -10.8738 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7259 -9.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0095 -10.4491 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4255 -12.1190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9970 -12.1065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7259 -8.3834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1460 -11.7109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5769 -9.6245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5769 -10.4491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4463 -9.6203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2974 -9.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2974 -10.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8581 -12.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1502 -10.8863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8581 -11.2944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 1 0 0 0 0 2 4 1 1 0 0 0 5 3 1 1 0 0 0 6 1 1 0 0 0 0 7 1 2 0 0 0 0 8 4 2 0 0 0 0 9 6 1 0 0 0 0 10 11 2 0 0 0 0 11 14 1 0 0 0 0 12 4 1 0 0 0 0 13 2 1 0 0 0 0 14 5 1 0 0 0 0 15 9 1 0 0 0 0 16 9 1 0 0 0 0 17 9 1 0 0 0 0 13 10 1 0 0 0 0 M END > AA580 > (1R,6S)-6-(tert-butoxycarbonylamino)cyclohex-3-enecarboxylic acid > <100mg> 95 > <250mg> 180 > <500mg> 320 > <1g> 545 > <2.5g> 1090 > <5g> 1965 > Chiral $$$$ Marvin 08131001042D 17 17 0 0 1 0 999 V2000 6.0720 -11.6984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3599 -9.6245 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0762 -10.8738 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0762 -9.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3599 -10.4491 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7759 -12.1190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3474 -12.1065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0762 -8.3834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4963 -11.7109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9273 -9.6245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9273 -10.4491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7967 -9.6203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6477 -9.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6477 -10.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2085 -12.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5005 -10.8863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2085 -11.2944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 1 0 0 0 0 2 4 1 6 0 0 0 5 3 1 6 0 0 0 6 1 1 0 0 0 0 7 1 2 0 0 0 0 8 4 2 0 0 0 0 9 6 1 0 0 0 0 10 11 2 0 0 0 0 11 14 1 0 0 0 0 12 4 1 0 0 0 0 13 2 1 0 0 0 0 14 5 1 0 0 0 0 15 9 1 0 0 0 0 16 9 1 0 0 0 0 17 9 1 0 0 0 0 13 10 1 0 0 0 0 M END > AA581 > (1S,6R)-6-(tert-butoxycarbonylamino)cyclohex-3-enecarboxylic acid > <100mg> 95 > <250mg> 180 > <500mg> 320 > <1g> 545 > <2.5g> 1090 > <5g> 1965 > Chiral $$$$ Chemistry 19 Marvin 08131001042D 10 9 0 0 1 0 999 V2000 4.9978 -10.5844 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7076 -11.8370 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7118 -10.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9936 -11.4236 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6993 -9.3443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4258 -10.5719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2087 -10.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2087 -11.6658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7202 -10.9977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4299 -8.7055 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 3 1 6 0 0 0 4 2 1 6 0 0 0 5 3 2 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 4 1 0 0 0 0 9 8 1 0 0 0 0 7 9 1 0 0 0 0 M END > AA582-1 > (1S,2R)-2-aminocyclopentanecarboxylic acid hydrochloride $$$$ Chemistry 19 Marvin 08131001042D 16 16 0 0 1 0 999 V2000 5.3653 -11.7242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6638 -9.6449 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3736 -10.8975 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3778 -9.2316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6596 -10.4842 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0667 -12.1376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6513 -12.1293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3653 -8.4049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7890 -11.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0918 -9.6324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8747 -9.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8747 -10.7264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3862 -10.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5030 -12.1543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8058 -10.9101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5824 -11.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 1 0 0 0 0 2 4 1 6 0 0 0 5 3 1 6 0 0 0 6 1 1 0 0 0 0 7 1 2 0 0 0 0 8 4 2 0 0 0 0 9 6 1 0 0 0 0 10 4 1 0 0 0 0 11 2 1 0 0 0 0 12 5 1 0 0 0 0 13 12 1 0 0 0 0 14 9 1 0 0 0 0 15 9 1 0 0 0 0 16 9 1 0 0 0 0 11 13 1 0 0 0 0 M END > AA583 > (1S,2R)-2-(tert-butoxycarbonylamino)cyclopentanecarboxylic acid $$$$ Chemistry 19 Marvin 08131001042D 16 16 0 0 1 0 999 V2000 6.0166 -11.7242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3152 -9.6449 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0250 -10.8975 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0292 -9.2316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3110 -10.4842 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7181 -12.1376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3027 -12.1293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0166 -8.4049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4404 -11.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7431 -9.6324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5261 -9.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5261 -10.7264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0376 -10.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1544 -12.1543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4571 -10.9101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2337 -11.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 1 0 0 0 0 2 4 1 1 0 0 0 5 3 1 1 0 0 0 6 1 1 0 0 0 0 7 1 2 0 0 0 0 8 4 2 0 0 0 0 9 6 1 0 0 0 0 10 4 1 0 0 0 0 11 2 1 0 0 0 0 12 5 1 0 0 0 0 13 12 1 0 0 0 0 14 9 1 0 0 0 0 15 9 1 0 0 0 0 16 9 1 0 0 0 0 11 13 1 0 0 0 0 M END > AA584 > (1R,2S)-2-(tert-butoxycarbonylamino)cyclopentanecarboxylic acid $$$$ Chemistry 19 Marvin 08131001042D 12 12 0 0 1 0 999 V2000 5.4849 -10.3114 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4849 -11.1417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7721 -9.8963 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7721 -11.5527 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2062 -11.5611 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2062 -9.8963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0591 -10.3114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0591 -11.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9817 -10.6931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2062 -9.0702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9274 -10.3114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6696 -11.7204 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 2 5 1 6 0 0 0 1 6 1 6 0 0 0 7 3 1 0 0 0 0 8 7 2 0 0 0 0 3 9 1 1 0 0 0 10 6 2 0 0 0 0 11 6 1 0 0 0 0 4 9 1 1 0 0 0 4 8 1 0 0 0 0 M END > AA585-1 > (1R,2S,3R,4S)-3-aminobicyclo[2.2.1]hept-5-ene-2-carboxylic acid hydrochloride $$$$ Chemistry 19 Marvin 08131001042D 12 12 0 0 1 0 999 V2000 5.4849 -10.2318 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4849 -11.0621 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7721 -9.8167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7721 -11.4730 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2062 -11.4814 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2062 -9.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0591 -10.2318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0591 -11.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9817 -10.6134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2062 -8.9905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9274 -10.2318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6696 -11.6408 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 2 5 1 1 0 0 0 1 6 1 1 0 0 0 7 3 1 0 0 0 0 8 7 2 0 0 0 0 3 9 1 6 0 0 0 10 6 2 0 0 0 0 11 6 1 0 0 0 0 4 9 1 6 0 0 0 4 8 1 0 0 0 0 M END > AA586-1 > (1S,2R,3S,4R)-3-aminobicyclo[2.2.1]hept-5-ene-2-carboxylic acid hydrochloride $$$$ Chemistry 19 Marvin 08131001042D 18 19 0 0 1 0 999 V2000 4.7500 -9.6250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7500 -10.4500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0417 -9.2125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4625 -11.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -10.8583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4667 -10.8667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4667 -9.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3333 -9.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3333 -10.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2500 -10.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1792 -12.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7375 -12.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4667 -8.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 -11.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1833 -9.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6167 -12.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 -10.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6167 -11.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 6 1 0 0 0 0 5 2 1 0 0 0 0 2 6 1 6 0 0 0 1 7 1 6 0 0 0 8 3 1 0 0 0 0 9 8 2 0 0 0 0 3 10 1 1 0 0 0 11 4 1 0 0 0 0 12 4 2 0 0 0 0 13 7 2 0 0 0 0 14 11 1 0 0 0 0 15 7 1 0 0 0 0 16 14 1 0 0 0 0 17 14 1 0 0 0 0 18 14 1 0 0 0 0 5 10 1 1 0 0 0 5 9 1 0 0 0 0 M END > AA587 > (1R,2S,3R,4S)-3-(tert-butoxycarbonylamino)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid $$$$ Chemistry 19 Marvin 08131001042D 18 19 0 0 1 0 999 V2000 4.7500 -9.6250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7500 -10.4500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0417 -9.2125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4625 -11.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -10.8583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4667 -10.8667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4667 -9.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3333 -9.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3333 -10.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2500 -10.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1792 -12.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7375 -12.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4667 -8.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 -11.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1833 -9.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6167 -12.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 -10.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6167 -11.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 6 1 0 0 0 0 5 2 1 0 0 0 0 2 6 1 1 0 0 0 1 7 1 1 0 0 0 8 3 1 0 0 0 0 9 8 2 0 0 0 0 3 10 1 6 0 0 0 11 4 1 0 0 0 0 12 4 2 0 0 0 0 13 7 2 0 0 0 0 14 11 1 0 0 0 0 15 7 1 0 0 0 0 16 14 1 0 0 0 0 17 14 1 0 0 0 0 18 14 1 0 0 0 0 5 10 1 6 0 0 0 5 9 1 0 0 0 0 M END > AA588 > (1S,2R,3S,4R)-3-(tert-butoxycarbonylamino)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid $$$$