ZINC15672348 -OEChem-03282409033D 40 42 0 1 0 0 0 0 0999 V2000 -7.3183 4.1282 2.6152 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9201 3.5417 1.2594 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1362 2.0928 1.2715 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8525 1.3600 0.1766 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4183 1.9000 -0.8188 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0748 -0.1305 0.1890 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.2874 -0.4651 1.2044 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2493 -0.4939 -0.7437 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7772 -1.8177 -1.4006 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2546 -1.5706 -1.5434 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8781 -0.8205 -0.3263 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8588 0.0840 -0.5945 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3996 0.5060 -1.7574 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3733 1.4214 -1.7961 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8459 1.8642 -0.6722 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8188 0.9875 0.5426 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8108 2.7765 -0.4825 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0826 3.4406 -1.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 4.6395 -0.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2299 4.1643 0.5515 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3525 3.1642 0.7202 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7741 2.7663 1.7856 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7102 3.6767 3.3991 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1575 5.2062 2.6062 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3709 3.9194 2.8063 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8674 3.7505 1.0683 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5282 3.9932 0.4755 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4835 1.6609 2.0676 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1623 -0.6526 -0.1699 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3962 0.2794 -1.4977 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9751 -2.6691 -0.7493 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2437 -1.9579 -2.3756 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0485 -0.9769 -2.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7186 -2.5187 -1.5859 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7770 3.7898 -2.3342 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3550 2.7564 -2.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9702 5.5421 -0.9779 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6180 4.7993 -1.3624 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3588 5.0017 1.2373 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7355 3.6849 0.7133 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 12 16 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 21 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 M END $$$$ ZINC75170536 -OEChem-03282409033D 40 41 0 1 0 0 0 0 0999 V2000 -0.0187 1.5258 0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7421 -0.5109 1.2415 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0766 0.0911 1.2937 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9597 0.0272 2.6932 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1652 0.7170 2.3931 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0800 0.5099 3.6994 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2967 -1.7364 2.9516 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1037 -1.9143 4.2118 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4845 -1.8898 4.1573 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2259 -2.0526 5.3149 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5841 -2.2401 6.5275 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2037 -2.2647 6.5819 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4621 -2.0965 5.4247 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1123 -2.1154 5.4787 F 0 0 0 0 0 0 0 0 0 0 0 0 7.5756 -2.0291 5.2616 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.4117 -0.5257 0.0127 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0507 -0.7660 1.2147 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3476 -1.2445 1.2246 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0056 -1.4822 0.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3670 -1.2410 -1.1697 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0716 -0.7585 -1.1795 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6709 -0.4649 -1.1737 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0039 1.9031 0.0027 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5459 1.8868 -0.8726 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5289 1.8773 0.9072 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1838 -0.2350 2.1361 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8346 -1.5958 1.1912 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4430 0.5272 0.5086 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3545 -2.2766 3.0443 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8576 -2.1274 2.1027 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9851 -1.7439 3.2115 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1625 -2.3676 7.4306 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7031 -2.4113 7.5276 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5366 -0.5803 2.1462 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8465 -1.4329 2.1637 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0186 -1.8567 0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8810 -1.4271 -2.1011 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5739 -0.5665 -2.1185 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7216 -1.4279 -1.2455 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 17 1 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 5 6 2 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 14 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 13 2 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 17 22 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 M END $$$$ ZINC72197155 -OEChem-03282409043D 38 39 0 1 0 0 0 0 0999 V2000 -0.0173 1.4248 0.0099 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2011 -0.6379 0.0101 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3743 0.0994 0.0195 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5965 -0.5465 0.0272 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6519 -1.9279 0.0261 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4852 -2.6694 0.0172 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2569 -2.0283 0.0032 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1083 -2.7563 -0.0116 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2420 -4.1790 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1255 -4.8120 -0.0344 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2558 -4.0161 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5101 -4.5965 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6352 -5.9734 -0.0644 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5061 -6.7701 -0.0637 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2501 -6.1897 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1688 -7.1899 -0.0354 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.8714 0.2570 0.0374 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6614 1.2672 0.3888 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4378 0.3182 -1.3578 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4627 -0.2850 -1.6266 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8711 0.9707 -2.2177 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.8450 -0.3807 0.9336 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0053 1.8021 0.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5445 1.7859 -0.8732 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5275 1.7763 0.9067 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3338 1.1787 0.0211 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6086 -2.4288 0.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5312 -3.7485 0.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7791 -4.4975 0.8754 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7960 -4.4879 -0.9044 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1587 -2.9405 -0.0242 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3928 -3.9743 -0.0509 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6156 -6.4263 -0.0764 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6039 -7.8456 -0.0752 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0394 -1.3159 0.6083 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4658 -0.4217 1.8678 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6986 0.1572 0.9405 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 3 8 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 18 1 0 0 0 0 6 7 2 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 16 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 15 2 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 23 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 M CHG 2 22 -1 23 1 M END $$$$ ZINC16651389 -OEChem-03282409043D 30 31 0 0 0 0 0 0 0999 V2000 -3.6433 3.0067 0.0222 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5901 3.4590 -0.7575 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3845 2.7884 -0.7606 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2218 1.6453 0.0125 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2864 1.1844 0.8033 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4998 1.8787 0.7992 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1258 -0.0224 1.6323 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0691 -0.6227 1.6332 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0111 0.9658 0.0074 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 1.8076 -0.1084 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4575 0.8597 0.0468 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2983 2.6379 -1.2562 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4939 2.8830 1.2848 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9804 4.1539 1.2128 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0789 4.9399 2.3502 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9131 3.8425 3.4828 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0725 2.4658 2.4414 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6218 6.3160 2.5648 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0646 6.9192 1.6666 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8187 6.9134 3.7568 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5813 3.5420 0.0206 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7128 4.3447 -1.3633 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5676 3.1501 -1.3675 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3237 1.5311 1.4049 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0022 0.0676 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5165 4.5240 0.3105 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5227 1.5085 2.6591 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2628 6.4327 4.4728 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5162 7.8240 3.8988 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1506 -0.4610 2.3897 O 0 5 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 2 3 2 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 24 1 0 0 0 0 7 8 2 0 0 0 0 7 30 1 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 13 17 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 26 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 17 27 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 28 1 0 0 0 0 20 29 1 0 0 0 0 M CHG 1 30 -1 M END $$$$ ZINC21013194 -OEChem-03282409043D 28 29 0 0 0 0 0 0 0999 V2000 -1.0641 0.2694 6.4245 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6873 0.1177 5.0608 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9960 0.1623 4.7106 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3405 -0.0045 3.3824 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3595 -0.2078 2.4694 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8939 -0.1742 3.4884 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4958 -0.4501 0.7295 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.8050 -0.9481 0.4902 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3282 -1.1513 0.3243 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4208 1.0441 0.0196 N 0 5 0 0 0 0 0 0 0 0 0 0 -1.2928 1.8378 0.1889 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0331 1.2556 0.2535 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0865 2.0452 0.4163 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9647 3.4238 0.5215 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2780 4.0191 0.4648 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4213 3.2312 0.3006 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7519 3.8598 0.2388 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7431 3.1715 0.0960 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8700 5.1985 0.3406 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0687 4.1861 0.6807 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.8534 0.4400 7.1714 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3735 1.1255 6.4188 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5106 -0.6466 6.6786 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7581 0.3261 5.4581 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3758 0.0270 3.0766 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0704 0.1837 0.1717 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0638 1.5877 0.4617 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3679 5.0923 0.5468 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 6 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 11 16 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 14 15 2 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 M CHG 2 10 -1 19 -1 M END $$$$ ZINC21013194 -OEChem-03282409043D 29 30 0 0 0 0 0 0 0999 V2000 -1.0641 0.2694 6.4245 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6873 0.1177 5.0608 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9960 0.1623 4.7106 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3405 -0.0045 3.3824 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3595 -0.2078 2.4694 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8939 -0.1742 3.4884 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4958 -0.4501 0.7295 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.8050 -0.9481 0.4902 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3282 -1.1513 0.3243 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4208 1.0441 0.0196 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2928 1.8378 0.1889 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0331 1.2556 0.2535 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0865 2.0452 0.4163 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9647 3.4238 0.5215 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2780 4.0191 0.4648 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4213 3.2312 0.3006 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7519 3.8598 0.2388 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7431 3.1715 0.0960 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8700 5.1985 0.3406 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0687 4.1861 0.6807 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.8534 0.4400 7.1714 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3735 1.1255 6.4188 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5106 -0.6466 6.6786 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7581 0.3261 5.4581 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3758 0.0270 3.0766 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0704 0.1837 0.1717 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0638 1.5877 0.4617 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3679 5.0923 0.5468 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2638 1.4083 -0.5859 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 6 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 11 16 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 14 15 2 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 M CHG 1 19 -1 M END $$$$ ZINC25334031 -OEChem-03282409043D 42 44 0 0 0 0 0 0 0999 V2000 -0.0167 1.3781 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1709 2.0855 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3773 1.4107 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0285 -0.0201 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2084 -0.6789 -0.0117 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7112 -0.7071 -0.0376 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1518 -0.9524 1.3379 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4745 -2.1448 1.8779 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8271 -1.9087 3.1763 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7177 -0.5905 3.4140 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3249 0.0086 2.3441 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2551 -2.9285 4.1526 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3166 -4.0974 3.8234 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5780 -2.5645 5.4095 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0031 -3.5771 6.3791 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3039 -2.9142 7.6986 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5805 -2.4503 7.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8649 -1.8401 9.1715 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8759 -1.6908 10.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5863 -2.1565 9.8617 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3047 -2.7661 8.6379 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5218 -2.0003 10.8758 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3995 -2.4068 10.6463 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7958 -1.4071 12.0545 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9591 1.9053 0.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1563 3.1654 0.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3051 1.9634 -0.0196 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2231 -1.7588 -0.0176 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9258 -0.5567 0.0082 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5884 -1.6586 -0.5549 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4573 -0.1052 -0.5563 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4575 -3.1028 1.3795 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5290 -1.6320 5.6721 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2063 -4.3087 6.5133 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8986 -4.0785 6.0118 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3584 -2.5653 7.2226 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8633 -1.4802 9.3717 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0993 -1.2150 11.0654 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3077 -3.1246 8.4286 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6914 -1.0826 12.2376 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0973 -1.3046 12.7198 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 12 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 2 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 22 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 M END $$$$ ZINC32995476 -OEChem-03282409043D 42 43 0 0 0 0 0 0 0999 V2000 7.1799 -0.1927 -0.0752 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3330 1.3242 0.0542 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0408 1.9343 0.0622 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9985 3.2890 0.1719 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1745 4.0149 0.2692 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1299 5.3923 0.3803 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9134 6.0495 0.3942 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7359 5.3333 0.2928 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7725 3.9505 0.1863 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5803 3.2219 0.0878 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4570 3.8239 -0.3506 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4998 4.9698 -0.7569 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1788 3.0952 -0.3377 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0389 3.6504 -0.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1626 2.9152 -0.8691 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1948 1.6642 -0.2816 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1009 1.1207 0.2752 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1581 0.1272 0.7438 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0795 1.7683 0.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0603 1.2532 0.7815 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4905 0.8948 -0.2602 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3876 3.4794 -1.4637 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4248 2.8470 -1.4330 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3575 4.6965 -2.0412 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6010 5.1891 -2.6062 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1746 -0.6624 -0.0814 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6566 -0.4297 -1.0133 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5984 -0.5765 0.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8563 1.5612 0.9923 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9145 1.7080 -0.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1263 3.5048 0.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0477 5.9564 0.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8835 7.1257 0.4804 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7873 5.8495 0.2997 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5609 2.1584 0.3683 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0732 4.6264 -1.3672 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3348 -0.0716 0.2417 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8311 0.7216 -1.2917 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2512 1.4728 0.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4363 6.1855 -3.0421 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3621 5.2562 -1.8148 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9466 4.4987 -3.3897 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 4 9 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 19 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 22 1 0 0 0 0 16 17 1 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 M END $$$$