SciTegic07110717482D 9 9 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.7771 1.0106 0.0000 C 0 0 1 0 0 0 -3.7425 -0.1385 0.0000 N 0 3 -1.7949 2.1837 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 1 7 9 1 0 M CHG 2 8 1 9 1 M END > ZINC03834185 > 1 $$$$ SciTegic07110717482D 25 27 0 0 0 0 999 V2000 10.5613 -4.3199 0.0000 C 0 0 9.0639 -4.2191 0.0000 C 0 0 1 0 0 0 8.2283 -5.4658 0.0000 C 0 0 8.4015 -2.8724 0.0000 C 0 0 6.9041 -2.7716 0.0000 O 0 0 6.2418 -1.4248 0.0000 C 0 0 7.0791 -0.1803 0.0000 C 0 0 6.4199 1.1671 0.0000 C 0 0 4.9234 1.2700 0.0000 C 0 0 4.0896 0.0290 0.0000 C 0 0 4.7453 -1.3220 0.0000 C 0 0 3.9034 -2.5644 0.0000 O 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 -3.7952 -0.9982 0.0000 C 0 0 1 0 0 0 -3.3560 1.3452 0.0000 Cl 0 0 -4.7528 0.1574 0.0000 N 0 3 -2.8210 -2.1780 0.0000 N 0 3 2 1 1 1 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 11 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 10 13 1 0 11 12 1 0 13 21 2 0 13 14 1 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 23 1 0 18 19 2 0 18 22 1 0 19 20 1 0 20 21 1 0 22 24 1 6 22 25 1 0 M CHG 2 24 1 25 1 M END > ZINC04617941 > 2 $$$$ SciTegic07110717482D 25 28 0 0 0 0 999 V2000 -2.3155 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -3.7952 -0.9982 0.0000 C 0 0 1 0 0 0 1.7138 -1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 4.0872 0.0351 0.0000 C 0 0 4.8532 -1.2555 0.0000 C 0 0 6.3110 -1.3702 0.0000 N 0 0 6.6590 -2.8225 0.0000 C 0 0 7.9851 -3.5320 0.0000 C 0 0 8.0113 -5.0515 0.0000 C 0 0 6.7331 -5.8270 0.0000 C 0 0 5.3975 -5.1018 0.0000 C 0 0 5.3808 -3.5979 0.0000 C 0 0 4.2535 -2.6185 0.0000 N 0 0 8.9931 -6.1866 0.0000 C 0 0 1 0 0 0 -4.7528 0.1574 0.0000 N 0 3 -2.8210 -2.1780 0.0000 N 0 3 8.5021 -7.6048 0.0000 N 0 3 9.4962 -4.7417 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 10 1 0 3 4 1 0 4 5 2 0 4 8 1 0 5 6 1 0 6 7 1 0 7 22 1 6 7 23 1 0 8 9 2 0 9 11 1 0 9 10 1 0 11 12 1 0 12 20 2 0 12 13 1 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 21 1 0 17 18 2 0 18 19 1 0 19 20 1 0 21 24 1 6 21 25 1 0 M CHG 4 22 1 23 1 24 1 25 1 M END > ZINC03815826 > 3 $$$$ SciTegic07110717482D 28 31 0 0 0 0 999 V2000 11.3540 -3.0898 0.0000 C 0 0 9.8750 -3.0074 0.0000 C 0 0 1 0 0 0 10.7103 -1.7615 0.0000 C 0 0 10.0489 -0.4152 0.0000 C 0 0 8.5523 -0.3147 0.0000 C 0 0 7.7170 -1.5606 0.0000 C 0 0 8.4015 -2.8724 0.0000 C 0 0 2 0 0 0 6.9600 -3.2898 0.0000 O 0 0 6.5998 -4.7468 0.0000 C 0 0 7.6830 -5.7844 0.0000 C 0 0 7.3260 -7.2413 0.0000 C 0 0 5.8858 -7.6606 0.0000 C 0 0 4.8068 -6.6259 0.0000 C 0 0 5.1596 -5.1661 0.0000 C 0 0 4.0723 -4.1316 0.0000 O 0 0 3.3383 -6.9350 0.0000 C 0 0 2.7357 -8.2794 0.0000 N 0 0 1.2492 -8.1370 0.0000 C 0 0 0.1476 -9.1610 0.0000 C 0 0 -1.2981 -8.6925 0.0000 C 0 0 -1.6166 -7.2318 0.0000 C 0 0 -0.4972 -6.2040 0.0000 C 0 0 0.9307 -6.6763 0.0000 C 0 0 2.2230 -5.9280 0.0000 N 0 0 -3.1158 -7.3021 0.0000 C 0 0 1 0 0 0 -2.1874 -9.4982 0.0000 F 0 0 -3.8052 -8.6352 0.0000 N 0 3 -2.4153 -5.9419 0.0000 N 0 3 2 1 1 6 2 7 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 1 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 13 16 1 0 14 15 1 0 16 24 2 0 16 17 1 0 17 18 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 26 1 0 21 22 2 0 21 25 1 0 22 23 1 0 23 24 1 0 25 27 1 1 25 28 1 0 M CHG 2 27 1 28 1 M END > ZINC04617942 > 4 $$$$ SciTegic07110717482D 29 31 0 0 0 0 999 V2000 2.5988 -1.5004 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.3383 1.3500 0.0000 F 0 0 -0.0031 3.0008 0.0000 O 0 0 -1.3039 3.7494 0.0000 C 0 0 -2.6005 2.9949 0.0000 C 0 0 -3.9021 3.7404 0.0000 C 0 0 -3.9073 5.2404 0.0000 C 0 0 -2.6108 5.9949 0.0000 C 0 0 -1.3092 5.2494 0.0000 C 0 0 -3.1290 7.4034 0.0000 C 0 0 1 0 0 0 -2.6003 -1.4978 0.0000 O 0 0 -3.8990 -0.7455 0.0000 C 0 0 -3.8939 0.7546 0.0000 C 0 0 -5.1903 1.5090 0.0000 C 0 0 -6.4920 0.7635 0.0000 C 0 0 -6.4972 -0.7365 0.0000 C 0 0 -5.2007 -1.4909 0.0000 C 0 0 -7.9761 -0.9920 0.0000 C 0 0 1 0 0 0 0.0000 -2.7000 0.0000 F 0 0 -4.6078 7.6599 0.0000 N 0 3 -1.6211 7.1446 0.0000 N 0 3 -8.9375 0.1605 0.0000 N 0 3 -6.9980 -2.1685 0.0000 N 0 3 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 3 25 1 0 4 5 1 0 4 17 1 0 5 6 2 0 6 7 1 0 6 9 1 0 7 8 1 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 26 1 1 16 27 1 0 17 18 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 22 24 1 0 24 28 1 6 24 29 1 0 M CHG 4 26 1 27 1 28 1 29 1 M END > ZINC03834187 > 5 $$$$ SciTegic07110717482D 30 33 0 0 0 0 999 V2000 -2.3270 1.7783 0.0000 C 0 0 -0.9975 1.0421 0.0000 C 0 0 0.2795 1.8365 0.0000 C 0 0 0.2462 3.3312 0.0000 C 0 0 1.6577 3.8186 0.0000 C 0 0 2.5599 2.6169 0.0000 C 0 0 1.7115 1.4126 0.0000 S 0 0 4.0582 2.6335 0.0000 S 0 0 1 0 0 0 4.6462 3.6796 0.0000 O 0 0 5.0581 2.6452 0.0000 O 0 0 4.8239 1.3427 0.0000 N 0 0 6.3246 1.3595 0.0000 C 0 0 1 0 0 0 7.7856 1.2739 0.0000 C 0 0 8.1136 -0.1898 0.0000 C 0 0 6.8229 -0.9541 0.0000 N 0 0 5.6972 0.0373 0.0000 C 0 0 4.7177 -0.1642 0.0000 O 0 0 6.6827 -2.4458 0.0000 C 0 0 7.9060 -3.3153 0.0000 C 0 0 7.7647 -4.8086 0.0000 C 0 0 8.9873 -5.6776 0.0000 C 0 0 10.3512 -5.0533 0.0000 C 0 0 10.4925 -3.5600 0.0000 C 0 0 9.2699 -2.6910 0.0000 C 0 0 9.4144 -1.1971 0.0000 O 0 0 8.3434 -7.0333 0.0000 C 0 0 1 0 0 0 -1.0651 4.0678 0.0000 N 0 0 -2.3604 3.2729 0.0000 C 0 0 6.8475 -7.1545 0.0000 N 0 3 9.8686 -6.9124 0.0000 N 0 3 1 28 2 0 1 2 1 0 2 3 2 0 3 7 1 0 3 4 1 0 4 5 1 0 4 27 2 0 5 6 2 0 6 7 1 0 8 6 1 1 8 9 2 0 8 10 2 0 8 11 1 0 12 11 1 1 12 16 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 18 1 0 16 17 2 0 18 19 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 21 26 1 0 22 23 2 0 23 24 1 0 24 25 1 0 26 29 1 6 26 30 1 0 27 28 1 0 M CHG 2 29 1 30 1 M END > ZINC03832369 > 6 $$$$ SciTegic07110717482D 30 32 0 0 0 0 999 V2000 5.1991 2.9969 0.0000 C 0 3 3.8988 3.7463 0.0000 C 0 0 3.9007 5.2463 0.0000 C 0 0 2.6026 5.9980 0.0000 C 0 0 1.3026 5.2496 0.0000 C 0 0 1.3007 3.7496 0.0000 C 0 0 2.5988 2.9980 0.0000 C 0 0 0.0000 3.0008 0.0000 C 0 0 -1.2993 3.7521 0.0000 C 0 0 1 0 0 0 -1.8197 2.3133 0.0000 C 0 0 -1.0462 1.3958 0.0000 O 0 0 -3.2970 2.0489 0.0000 N 0 0 -4.2620 3.1974 0.0000 C 0 0 -5.7390 2.9361 0.0000 C 0 0 -6.2513 1.5262 0.0000 O 0 0 -5.2864 0.3777 0.0000 C 0 0 -3.8094 0.6390 0.0000 C 0 0 -1.2993 5.2529 0.0000 N 0 0 -2.5986 6.0041 0.0000 S 0 0 1 0 0 0 -3.6377 6.6043 0.0000 O 0 0 -3.6380 5.4044 0.0000 O 0 0 -2.5986 7.5049 0.0000 C 0 0 -1.2996 8.2549 0.0000 C 0 0 -1.2996 9.7549 0.0000 C 0 0 -2.5986 10.5049 0.0000 C 0 0 -3.8976 9.7549 0.0000 C 0 0 -3.8976 8.2549 0.0000 C 0 0 -2.5986 12.0058 0.0000 C 0 0 6.4987 3.7476 0.0000 N 0 0 5.2029 1.4961 0.0000 N 0 0 1 2 1 0 1 29 1 0 1 30 2 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 9 8 1 1 9 10 1 0 9 18 1 0 10 11 2 0 10 12 1 0 12 17 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 19 18 1 6 19 20 2 0 19 21 2 0 19 22 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 25 28 1 0 26 27 1 0 M CHG 1 1 1 M END > ZINC03834156 > 7 $$$$