SciTegic07110717162D 13 13 0 0 0 0 999 V2000 0.7500 -1.0323 0.0000 C 0 0 -0.7500 -1.0323 0.0000 C 0 0 -1.2135 0.3943 0.0000 N 0 0 0.0000 1.2760 0.0000 C 0 0 1.2135 0.3943 0.0000 C 0 0 0.0031 2.7742 0.0000 C 0 0 1.0432 3.3727 0.0000 O 0 0 -2.6394 0.8543 0.0000 C 0 0 -2.8910 2.0276 0.0000 O 0 0 -3.7533 -0.1515 0.0000 C 0 0 -5.1816 0.3093 0.0000 C 0 0 -6.0722 -0.4950 0.0000 S 0 0 -1.0351 3.3760 0.0000 O 0 5 1 5 1 0 1 2 1 0 2 3 1 0 3 4 1 0 3 8 1 0 4 5 2 0 4 6 1 0 6 7 2 0 6 13 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 M CHG 1 13 -1 M END > ZINC03814162 > 1 $$$$ SciTegic07110717162D 16 17 0 0 0 0 999 V2000 0.7500 -1.0323 0.0000 C 0 0 -0.7500 -1.0323 0.0000 C 0 0 -1.2135 0.3943 0.0000 C 0 0 2 0 0 0 0.0000 1.2760 0.0000 C 0 0 1 0 0 0 1.2135 0.3943 0.0000 C 0 0 0.0000 2.4760 0.0000 S 0 0 -2.6375 0.8602 0.0000 C 0 0 -3.5307 0.0588 0.0000 O 0 0 -2.9474 2.3287 0.0000 N 0 0 -1.9353 3.4185 0.0000 C 0 0 -2.6808 4.7202 0.0000 C 0 0 -4.1491 4.4134 0.0000 C 0 0 -4.3111 2.9222 0.0000 C 0 0 1 0 0 0 -5.6039 2.1650 0.0000 C 0 0 -5.5971 0.9650 0.0000 O 0 0 -6.6467 2.7588 0.0000 O 0 5 1 5 1 0 1 2 1 0 2 3 1 0 3 4 1 0 3 7 1 1 4 5 1 0 4 6 1 6 7 8 2 0 7 9 1 0 9 13 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 6 14 15 2 0 14 16 1 0 M CHG 1 16 -1 M END > ZINC03814170 > 2 $$$$ SciTegic07110717162D 16 17 0 0 0 0 999 V2000 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 2 0 0 0 0.2917 -0.7475 0.0000 N 0 0 0.2917 0.7475 0.0000 N 0 0 1.7138 1.2033 0.0000 C 0 0 2.0825 2.3453 0.0000 O 0 0 2.5889 0.0182 0.0000 N 0 0 1.7138 -1.2033 0.0000 C 0 0 2.0907 -2.3426 0.0000 O 0 0 4.0872 0.0320 0.0000 C 0 0 4.6976 -1.0012 0.0000 S 0 0 -0.9909 -3.0137 0.0000 C 0 0 0.0526 -3.6061 0.0000 O 0 0 -2.0256 -3.6216 0.0000 O 0 5 1 6 1 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 4 14 1 6 5 10 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 9 12 1 0 10 11 2 0 12 13 1 0 14 15 2 0 14 16 1 0 M CHG 1 16 -1 M END > ZINC03814160 > 3 $$$$ SciTegic07110717162D 17 18 0 0 0 0 999 V2000 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 2 0 0 0 0.0000 -0.7486 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 1.2964 -2.6973 0.0000 O 0 0 2.5929 -0.7486 0.0000 C 0 0 2 0 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 1.2964 2.6973 0.0000 O 0 0 0.0000 0.7486 0.0000 N 0 0 -1.2964 1.4973 0.0000 C 0 0 3.8911 -1.5017 0.0000 C 0 0 3.8894 -2.7017 0.0000 S 0 0 -1.2845 -2.9981 0.0000 C 0 0 -0.2409 -3.5904 0.0000 O 0 0 -2.3191 -3.6061 0.0000 O 0 5 1 12 1 0 1 2 1 0 2 3 1 0 3 4 1 0 3 15 1 6 4 11 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 7 13 1 6 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 13 14 1 0 15 16 2 0 15 17 1 0 M CHG 1 17 -1 M END > ZINC03814171 > 4 $$$$ SciTegic07110717162D 20 21 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 3.0008 0.0000 C 0 0 2 0 0 0 1.2121 3.8625 0.0000 N 0 0 0.7463 5.2884 0.0000 C 0 0 1 0 0 0 -0.7536 5.2860 0.0000 C 0 0 -1.2149 3.8587 0.0000 S 0 0 1.6276 6.5001 0.0000 C 0 0 2.8210 6.3748 0.0000 O 0 0 2.6351 3.3939 0.0000 C 0 0 2.8795 2.2190 0.0000 O 0 0 3.7552 4.3929 0.0000 C 0 0 5.1806 3.9234 0.0000 C 0 0 6.0762 4.7221 0.0000 S 0 0 -2.3383 1.3500 0.0000 O 0 0 1.1397 7.5964 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 19 1 0 5 6 1 0 7 5 1 1 7 11 1 0 7 8 1 0 8 9 1 0 8 14 1 0 9 10 1 0 9 12 1 1 10 11 1 0 12 13 2 0 12 20 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 M CHG 1 20 -1 M END > ZINC03814177 > 5 $$$$ SciTegic07110717162D 25 26 0 0 0 0 999 V2000 6.2297 -5.4127 0.0000 C 0 0 5.1894 -6.0109 0.0000 C 0 0 1 0 0 0 5.1873 -7.5117 0.0000 C 0 0 4.1470 -8.1099 0.0000 O 0 0 6.4855 -8.2648 0.0000 N 0 0 7.8369 -7.6438 0.0000 C 0 0 8.8406 -8.7585 0.0000 C 0 0 8.0906 -10.0575 0.0000 C 0 0 6.6233 -9.7456 0.0000 C 0 0 1 0 0 0 5.5003 -10.7372 0.0000 C 0 0 4.3624 -10.3560 0.0000 O 0 0 3.8933 -3.7570 0.0000 C 0 0 1 0 0 0 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 5.1959 -3.0115 0.0000 C 0 0 6.2333 -3.6148 0.0000 O 0 0 5.7386 -11.9133 0.0000 O 0 5 3.8912 -5.2578 0.0000 N 0 3 5.2001 -1.8115 0.0000 O 0 5 2 1 1 1 2 3 1 0 2 24 1 0 3 4 2 0 3 5 1 0 5 9 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 1 10 11 2 0 10 23 1 0 12 13 1 1 12 21 1 0 12 24 1 0 13 14 1 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 21 22 2 0 21 25 1 0 M CHG 3 23 -1 24 1 25 -1 M END > ZINC03812851 > 6 $$$$ SciTegic07110717162D 25 26 0 0 0 0 999 V2000 2.5958 -2.7022 0.0000 C 0 0 2.5978 -1.5022 0.0000 C 0 0 2 0 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 3.8990 -0.7543 0.0000 C 0 0 1 0 0 0 3.8984 0.7465 0.0000 C 0 0 2.8594 1.3468 0.0000 S 0 0 5.1978 -1.5065 0.0000 C 0 0 5.1958 -2.7065 0.0000 O 0 0 6.4990 -0.7587 0.0000 N 0 0 7.7977 -1.5108 0.0000 C 0 0 1 0 0 0 9.0990 -0.7630 0.0000 C 0 0 10.3977 -1.5152 0.0000 C 0 0 10.3927 -3.0152 0.0000 C 0 0 11.6892 -3.7696 0.0000 C 0 0 12.9908 -3.0240 0.0000 C 0 0 12.9959 -1.5240 0.0000 C 0 0 11.6994 -0.7696 0.0000 C 0 0 7.7983 -3.0117 0.0000 C 0 0 8.8374 -3.6119 0.0000 O 0 0 6.7591 -3.6117 0.0000 O 0 5 2 1 1 6 2 3 1 0 2 9 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 9 10 1 1 9 12 1 0 10 11 1 0 12 13 2 0 12 14 1 0 15 14 1 1 15 16 1 0 15 23 1 0 16 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 23 24 2 0 23 25 1 0 M CHG 1 25 -1 M END > ZINC03814192 > 7 $$$$ SciTegic07110717162D 26 27 0 0 0 0 999 V2000 2.8552 -0.6517 0.0000 C 0 0 1.6852 -0.3846 0.0000 C 0 0 2 0 0 0 0.7500 -1.5574 0.0000 C 0 0 -0.7500 -1.5574 0.0000 C 0 0 -1.6852 -0.3847 0.0000 C 0 0 -1.3515 1.0777 0.0000 C 0 0 1 0 0 0 0.0000 1.7286 0.0000 C 0 0 0.0000 2.9286 0.0000 O 0 0 1.3514 1.0778 0.0000 N 0 0 2.5244 2.0171 0.0000 C 0 0 2.2987 3.5009 0.0000 C 0 0 3.2353 4.2510 0.0000 O 0 0 -3.9246 1.4620 0.0000 C 0 0 1 0 0 0 -5.0999 2.3954 0.0000 C 0 0 -6.4962 1.8451 0.0000 C 0 0 -7.6715 2.7784 0.0000 C 0 0 -7.4480 4.2617 0.0000 C 0 0 -8.6208 5.1970 0.0000 C 0 0 -10.0171 4.6489 0.0000 C 0 0 -10.2406 3.1657 0.0000 C 0 0 -9.0679 2.2305 0.0000 C 0 0 -4.1427 -0.0229 0.0000 C 0 0 -3.2021 -0.7681 0.0000 O 0 0 1.1809 3.9373 0.0000 O 0 5 -2.5283 2.0123 0.0000 N 0 3 -5.2582 -0.4652 0.0000 O 0 5 2 1 1 6 2 9 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 25 1 6 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 24 1 0 13 14 1 6 13 22 1 0 13 25 1 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 22 23 2 0 22 26 1 0 M CHG 3 24 -1 25 1 26 -1 M END > ZINC03814180 > 8 $$$$ SciTegic07110717162D 27 29 0 0 0 0 999 V2000 9.5701 -7.2458 0.0000 C 0 0 10.1956 -5.8824 0.0000 C 0 0 9.3277 -4.6590 0.0000 C 0 0 7.8342 -4.7989 0.0000 C 0 0 7.2087 -6.1623 0.0000 C 0 0 8.0767 -7.3857 0.0000 C 0 0 6.9633 -3.5766 0.0000 C 0 0 5.4693 -3.7187 0.0000 C 0 0 1 0 0 0 4.5984 -2.4964 0.0000 C 0 0 5.0969 -1.4048 0.0000 O 0 0 3.1043 -2.6385 0.0000 N 0 0 2.2325 -1.4158 0.0000 C 0 0 1 0 0 0 2.9404 0.0000 0.0000 C 0 0 2.2507 1.3976 0.0000 C 0 0 0.7805 1.6880 0.0000 S 0 0 0.0000 0.7623 0.0000 C 0 0 1 0 0 0 -1.4884 1.5247 0.0000 C 0 0 -2.8315 0.7623 0.0000 C 0 0 -2.8315 -0.7623 0.0000 C 0 0 -1.4884 -1.5247 0.0000 C 0 0 2 0 0 0 0.0000 -0.7623 0.0000 N 0 0 0.7442 -1.6517 0.0000 C 0 0 0.3232 -2.7755 0.0000 O 0 0 -1.5519 -3.0239 0.0000 C 0 0 -0.5397 -3.6685 0.0000 O 0 0 4.9707 -4.8102 0.0000 S 0 0 -2.6160 -3.5785 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 8 9 1 0 8 26 1 6 9 10 2 0 9 11 1 0 12 11 1 6 12 22 1 0 12 13 1 0 13 14 1 0 14 15 1 0 16 15 1 6 16 21 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 24 1 6 21 22 1 0 22 23 2 0 24 25 2 0 24 27 1 0 M CHG 1 27 -1 M END > ZINC03809801 > 9 $$$$ SciTegic07110717162D 27 29 0 0 0 0 999 V2000 4.8740 -9.3571 0.0000 C 0 0 3.4436 -9.8090 0.0000 C 0 0 2.3372 -8.7962 0.0000 C 0 0 2.6609 -7.3315 0.0000 C 0 0 4.0913 -6.8797 0.0000 C 0 0 5.1978 -7.8925 0.0000 C 0 0 1.5559 -6.3159 0.0000 C 0 0 1.8820 -4.8510 0.0000 C 0 0 0.7770 -3.8354 0.0000 C 0 0 1 0 0 0 -0.6558 -4.2821 0.0000 C 0 0 -1.5385 -3.4691 0.0000 O 0 0 0.0000 -1.3541 0.0000 C 0 0 2 0 0 0 0.3672 0.0000 0.0000 C 0 0 -0.3213 1.2853 0.0000 C 0 0 -1.7902 1.5836 0.0000 C 0 0 -2.9378 0.5738 0.0000 C 0 0 1 0 0 0 -2.8689 -0.9181 0.0000 N 0 0 -1.6754 -1.7673 0.0000 C 0 0 -1.9001 -2.9460 0.0000 O 0 0 -4.2919 -1.4230 0.0000 C 0 0 1 0 0 0 -5.1640 -0.2295 0.0000 C 0 0 -4.3608 0.9869 0.0000 S 0 0 -4.7368 -2.8534 0.0000 C 0 0 -3.9233 -3.7356 0.0000 O 0 0 -0.9190 -5.4529 0.0000 O 0 5 1.1031 -2.3704 0.0000 N 0 3 -5.9074 -3.1173 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 9 8 1 1 9 10 1 0 9 26 1 0 10 11 2 0 10 25 1 0 12 18 1 0 12 13 1 0 12 26 1 1 13 14 1 0 14 15 1 0 16 15 1 1 16 22 1 0 16 17 1 0 17 18 1 0 17 20 1 0 18 19 2 0 20 21 1 0 20 23 1 6 21 22 1 0 23 24 2 0 23 27 1 0 M CHG 3 25 -1 26 1 27 -1 M END > ZINC03814187 > 10 $$$$ SciTegic07110717162D 28 30 0 0 0 0 999 V2000 5.7436 12.2276 0.0000 C 0 0 7.0742 11.5351 0.0000 C 0 0 7.1399 10.0366 0.0000 C 0 0 5.8749 9.2303 0.0000 C 0 0 4.5443 9.9229 0.0000 C 0 0 4.4786 11.4214 0.0000 C 0 0 5.9376 7.7308 0.0000 C 0 0 4.6708 6.9260 0.0000 C 0 0 4.7334 5.4265 0.0000 C 0 0 3.4666 4.6217 0.0000 C 0 0 3.5292 3.1222 0.0000 P 0 0 4.5928 2.5664 0.0000 O 0 0 2.2625 2.3174 0.0000 C 0 0 2.3251 0.8179 0.0000 C 0 0 3.3886 0.2621 0.0000 O 0 0 1.0601 0.0139 0.0000 N 0 0 -0.3208 0.5719 0.0000 C 0 0 -1.2832 -0.5719 0.0000 C 0 0 2 0 0 0 -0.4742 -1.8412 0.0000 C 0 0 0.9903 -1.4367 0.0000 C 0 0 1 0 0 0 2.1711 -2.3593 0.0000 C 0 0 3.2839 -1.9102 0.0000 O 0 0 -1.7435 0.8508 0.0000 S 0 0 -3.2500 0.8648 0.0000 C 0 0 -3.7242 -0.5719 0.0000 C 0 0 -2.5107 -1.4646 0.0000 S 0 0 4.5424 3.7652 0.0000 O 0 0 2.0040 -3.5476 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 11 27 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 20 1 0 16 17 1 0 18 17 1 1 18 26 1 0 18 19 1 0 18 23 1 0 19 20 1 0 20 21 1 6 21 22 2 0 21 28 1 0 23 24 1 0 24 25 1 0 25 26 1 0 M CHG 1 28 -1 M END > ZINC03814178 > 11 $$$$ SciTegic07110717162D 29 31 0 0 0 0 999 V2000 -2.8300 8.1079 0.0000 C 0 0 -3.8717 7.5123 0.0000 C 0 0 1 0 0 0 -5.1681 8.2686 0.0000 C 0 0 -6.2098 7.6730 0.0000 O 0 0 -5.1622 9.7694 0.0000 N 0 0 -3.9436 10.6220 0.0000 C 0 0 -4.3986 12.0513 0.0000 C 0 0 -5.8986 12.0602 0.0000 C 0 0 -6.3706 10.6364 0.0000 C 0 0 1 0 0 0 -7.7937 10.1680 0.0000 C 0 0 -8.0394 8.9935 0.0000 O 0 0 -2.5812 5.2552 0.0000 C 0 0 1 0 0 0 -2.5870 3.7544 0.0000 C 0 0 -1.2907 2.9981 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 -1.2798 6.0029 0.0000 C 0 0 -1.2765 7.2028 0.0000 O 0 0 -8.6883 10.9678 0.0000 O 0 5 -3.8775 6.0115 0.0000 N 0 3 -0.2421 5.4003 0.0000 O 0 5 2 1 1 6 2 3 1 0 2 28 1 0 3 4 2 0 3 5 1 0 5 9 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 6 10 11 2 0 10 27 1 0 12 13 1 6 12 25 1 0 12 28 1 0 13 14 1 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 24 1 0 19 20 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 25 26 2 0 25 29 1 0 M CHG 3 27 -1 28 1 29 -1 M END > ZINC03814185 > 12 $$$$ SciTegic07110717162D 29 31 0 0 0 0 999 V2000 11.9472 -2.5900 0.0000 C 0 0 11.2002 -3.8908 0.0000 C 0 0 9.7002 -3.8943 0.0000 C 0 0 8.9471 -2.5970 0.0000 C 0 0 9.6942 -1.2962 0.0000 C 0 0 11.1942 -1.2927 0.0000 C 0 0 7.4463 -2.5974 0.0000 C 0 0 6.6947 -1.2984 0.0000 C 0 0 5.1939 -1.2988 0.0000 C 0 0 1 0 0 0 4.4415 -2.5974 0.0000 C 0 0 3.4415 -2.5966 0.0000 O 0 0 2.9404 0.0000 0.0000 C 0 0 1 0 0 0 2.2507 1.3976 0.0000 C 0 0 0.7805 1.6880 0.0000 C 0 0 0.0000 0.7623 0.0000 C 0 0 -1.4884 1.5247 0.0000 C 0 0 -2.8315 0.7623 0.0000 C 0 0 -2.8315 -0.7623 0.0000 C 0 0 -1.4884 -1.5247 0.0000 C 0 0 0.0000 -0.7623 0.0000 C 0 0 0.7442 -1.6517 0.0000 N 0 0 2.2325 -1.4158 0.0000 C 0 0 2.8234 -2.2225 0.0000 O 0 0 0.1203 -3.0186 0.0000 C 0 0 0.9888 -4.2426 0.0000 C 0 0 0.4891 -5.3336 0.0000 O 0 0 5.0404 -3.6374 0.0000 O 0 5 4.4423 0.0003 0.0000 N 0 3 2.1835 -4.1302 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 9 8 1 1 9 10 1 0 9 28 1 0 10 11 2 0 10 27 1 0 12 22 1 0 12 13 1 0 12 28 1 6 13 14 1 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 21 24 1 0 22 23 2 0 24 25 1 0 25 26 2 0 25 29 1 0 M CHG 3 27 -1 28 1 29 -1 M END > ZINC03814184 > 13 $$$$ SciTegic07110717162D 30 32 0 0 0 0 999 V2000 8.0206 -2.7618 0.0000 C 0 0 7.7740 -3.9362 0.0000 C 0 0 1 0 0 0 8.8921 -4.9373 0.0000 C 0 0 8.6456 -6.1117 0.0000 O 0 0 10.3185 -4.4705 0.0000 N 0 0 10.7553 -3.0488 0.0000 C 0 0 12.2552 -3.0425 0.0000 C 0 0 12.7248 -4.4671 0.0000 C 0 0 11.5150 -5.3539 0.0000 C 0 0 1 0 0 0 11.5067 -6.8520 0.0000 C 0 0 10.4645 -7.4469 0.0000 O 0 0 5.2295 -3.4020 0.0000 C 0 0 1 0 0 0 3.8056 -3.8679 0.0000 C 0 0 2 0 0 0 3.3372 -5.2929 0.0000 C 0 0 1.8372 -5.2877 0.0000 C 0 0 1.3786 -3.8595 0.0000 C 0 0 2.5951 -3.0039 0.0000 N 0 0 2.5973 -1.5031 0.0000 C 0 0 3.6375 -0.9049 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 5.5409 -1.9338 0.0000 C 0 0 6.6818 -1.5618 0.0000 O 0 0 12.5428 -7.4575 0.0000 O 0 5 6.3477 -4.4031 0.0000 N 0 3 4.6486 -1.1315 0.0000 O 0 5 2 1 1 1 2 3 1 0 2 29 1 0 3 4 2 0 3 5 1 0 5 9 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 1 10 11 2 0 10 28 1 0 12 13 1 0 12 26 1 0 12 29 1 1 13 17 1 0 13 14 1 6 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 25 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 26 27 2 0 26 30 1 0 M CHG 3 28 -1 29 1 30 -1 M END > ZINC03814182 > 14 $$$$ SciTegic07110717162D 31 33 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 2.7000 0.0000 O 0 0 -2.5987 -1.5004 0.0000 C 0 0 1 0 0 0 -2.7343 -2.9815 0.0000 C 0 0 -4.2010 -3.2957 0.0000 C 0 0 -4.9530 -1.9978 0.0000 C 0 0 2 0 0 0 -3.9511 -0.8815 0.0000 N 0 0 -4.2568 0.5852 0.0000 O 0 0 -5.6819 1.0556 0.0000 C 0 0 -5.9881 2.5249 0.0000 C 0 0 -7.4132 2.9953 0.0000 N 0 0 -7.7193 4.4646 0.0000 C 0 0 -6.8241 5.2637 0.0000 O 0 0 -9.1445 4.9351 0.0000 C 0 0 1 0 0 0 -9.4506 6.4043 0.0000 C 0 0 -10.8758 6.8748 0.0000 C 0 0 -11.9933 5.8740 0.0000 C 0 0 -13.4186 6.3413 0.0000 C 0 0 -13.7266 7.8094 0.0000 C 0 0 -12.6093 8.8101 0.0000 C 0 0 -11.1839 8.3428 0.0000 C 0 0 -14.8669 8.1832 0.0000 O 0 0 -10.0398 4.1360 0.0000 S 0 0 -6.4430 -1.8405 0.0000 C 0 0 -6.9313 -0.7443 0.0000 O 0 0 -7.1485 -2.8112 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 8 3 1 1 4 5 2 0 5 6 1 0 5 7 1 0 8 12 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 29 1 1 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 19 28 1 6 20 21 1 0 21 26 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 24 27 1 0 25 26 1 0 29 30 2 0 29 31 1 0 M CHG 1 31 -1 M END > ZINC03814190 > 15 $$$$ SciTegic07110717162D 31 33 0 0 0 0 999 V2000 6.7393 -0.1356 0.0000 C 0 0 7.1149 1.0041 0.0000 C 0 0 6.1161 2.1242 0.0000 O 0 0 6.5859 3.5496 0.0000 C 0 0 7.7608 3.7938 0.0000 O 0 0 5.5870 4.6698 0.0000 C 0 0 2 0 0 0 6.0553 6.0958 0.0000 C 0 0 7.5241 6.4042 0.0000 C 0 0 7.9923 7.8301 0.0000 C 0 0 6.9898 8.9460 0.0000 C 0 0 7.4549 10.3721 0.0000 C 0 0 8.9224 10.6823 0.0000 C 0 0 9.9249 9.5665 0.0000 C 0 0 9.4598 8.1405 0.0000 C 0 0 3.6500 2.9355 0.0000 C 0 0 1 0 0 0 4.4505 2.0415 0.0000 C 0 0 2.1812 2.6271 0.0000 C 0 0 1.3808 3.5211 0.0000 O 0 0 1.7138 1.2033 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 1 0 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1 0 0 0 1.7138 -1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1 0 0 0 4.0872 0.0382 0.0000 C 0 0 4.6738 1.0851 0.0000 O 0 0 4.1182 4.3614 0.0000 N 0 3 4.7008 -0.9930 0.0000 O 0 5 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 1 6 30 1 0 7 8 1 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 15 16 1 1 15 17 1 0 15 30 1 0 17 18 2 0 17 19 1 0 19 27 1 0 19 20 1 0 20 25 1 0 20 21 1 6 21 22 1 0 22 23 1 0 23 24 1 0 25 24 1 6 25 26 1 0 26 27 1 0 27 28 1 6 28 29 2 0 28 31 1 0 M CHG 2 30 1 31 -1 M END > ZINC03814193 > 16 $$$$ SciTegic07110717162D 31 33 0 0 0 0 999 V2000 -6.4999 -0.7389 0.0000 C 0 0 -5.2030 -1.4926 0.0000 C 0 0 -3.9019 -0.7463 0.0000 C 0 0 -3.8976 0.7537 0.0000 C 0 0 -5.1945 1.5074 0.0000 C 0 0 -6.4957 0.7611 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -2.5951 3.0039 0.0000 C 0 0 1 0 0 0 -3.8925 3.7584 0.0000 C 0 0 -3.8883 4.9584 0.0000 O 0 0 -5.1951 3.0130 0.0000 C 0 0 -6.4925 3.7675 0.0000 C 0 0 -7.7951 3.0220 0.0000 C 0 0 -7.7992 1.8220 0.0000 O 0 0 -9.0924 3.7765 0.0000 N 0 0 -9.2226 5.2581 0.0000 C 0 0 -10.6881 5.5776 0.0000 C 0 0 -11.4449 4.2825 0.0000 C 0 0 -10.4470 3.1625 0.0000 C 0 0 1 0 0 0 -10.7519 1.6957 0.0000 C 0 0 -9.8569 0.8963 0.0000 O 0 0 -1.2925 3.7494 0.0000 N 0 0 0.0048 2.9949 0.0000 C 0 0 0.0007 1.7949 0.0000 O 0 0 1.3074 3.7403 0.0000 C 0 0 1.3101 5.2404 0.0000 C 0 0 2.6105 5.9881 0.0000 C 0 0 3.9082 5.2358 0.0000 C 0 0 3.9056 3.7358 0.0000 C 0 0 2.6052 2.9881 0.0000 C 0 0 -11.8916 1.3200 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 8 7 1 1 8 9 1 0 8 22 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 19 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 6 20 21 2 0 20 31 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 30 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 M CHG 1 31 -1 M END > ZINC03814173 > 17 $$$$ SciTegic07110717162D 32 34 0 0 0 0 999 V2000 10.8594 12.4167 0.0000 C 0 0 11.8619 11.3009 0.0000 C 0 0 11.3969 9.8748 0.0000 C 0 0 9.9293 9.5644 0.0000 C 0 0 8.9268 10.6803 0.0000 C 0 0 9.3919 12.1064 0.0000 C 0 0 9.4611 8.1385 0.0000 C 0 0 7.9923 7.8301 0.0000 C 0 0 2 0 0 0 7.5241 6.4042 0.0000 C 0 0 8.3245 5.5101 0.0000 O 0 0 6.0553 6.0958 0.0000 N 0 0 5.5870 4.6698 0.0000 C 0 0 2 0 0 0 4.1182 4.3614 0.0000 C 0 0 3.6500 2.9355 0.0000 C 0 0 2.1812 2.6271 0.0000 C 0 0 1.3808 3.5211 0.0000 O 0 0 1.7138 1.2033 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 1 0 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1 0 0 0 1.7138 -1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1 0 0 0 4.0872 0.0382 0.0000 C 0 0 4.6738 1.0851 0.0000 O 0 0 6.5859 3.5496 0.0000 C 0 0 6.2102 2.4100 0.0000 O 0 0 4.7008 -0.9930 0.0000 O 0 5 7.7608 3.7938 0.0000 O 0 5 7.1918 8.7241 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 8 9 1 0 8 32 1 6 9 10 2 0 9 11 1 0 12 11 1 1 12 13 1 0 12 28 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 25 1 0 17 18 1 0 18 23 1 0 18 19 1 6 19 20 1 0 20 21 1 0 21 22 1 0 23 22 1 6 23 24 1 0 24 25 1 0 25 26 1 6 26 27 2 0 26 30 1 0 28 29 2 0 28 31 1 0 M CHG 3 30 -1 31 -1 32 1 M END > ZINC03814166 > 18 $$$$