SELFIES
stringlengths
4
9.29k
input_ids
sequencelengths
3
889
token_type_ids
sequencelengths
3
889
special_tokens_mask
sequencelengths
3
889
attention_mask
sequencelengths
3
889
[C][=C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][C][=Branch1][C][=C][O][C][C][C][=C][Ring1][=N]
[ 4, 2317, 2994, 2344, 2310, 1447, 2600, 1450, 2299, 2331, 2841, 5 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[C][C][Branch1][C][C][C][C][C@H1][Ring1][Branch1][C@H1][Branch2][Branch1][#C][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][C][C][C][C][C][O][N+1][=Branch1][C][=O][O][C][C][C][C][C][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2][C@@H1][C][C][=Branch1][C][=O][C][C][C@@H1][Ring1][#Branch1][C][Ring1][Ring2][Branch1][C][C][C][C][C][Ring2][Ring2][=C][=O]
[ 4, 2914, 2897, 1465, 3042, 2299, 2535, 2299, 2535, 2386, 2423, 2334, 2404, 2331, 2298, 2373, 3614, 2535, 2413, 1464, 2574, 2298, 1464, 3110, 2581, 2312, 2337, 2324, 1445, 1454, 5 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[C][O][C][=Branch1][C][=O][C][=C][S][C][Branch1][S][N][C][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][C][Ring1][=Branch2][=N][Ring1][=C]
[ 4, 3432, 2361, 1447, 1457, 2362, 2414, 2455, 2772, 1449, 3069, 5 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[C][#C][C][C@@H1][Branch2][Branch1][=Branch1][N][C][=N][C][Branch1][S][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=N][O][Ring1][Branch1][=N][C][Branch2][Ring1][Branch2][N][C][C@@H1][C][C][O][C@@H1][Ring1][Branch1][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][O][Ring1][Branch2][=N][Ring2][Ring1][S][C][=Branch1][C][=O][N][Dy]
[ 4, 2481, 2540, 3329, 3235, 2490, 3801, 2837, 5 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 0, 0, 0, 0, 0, 0, 0, 1 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[C][C][O][C][=Branch1][C][=O][C][=C][NH1][N][=C][Ring1][Branch1][N][C][=N][C][Branch2][Ring1][=N][N][C][C][=C][C][=C][Branch1][=C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][Branch1][C][C][=C][Ring1][S][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][Branch1]
[ 4, 3224, 3655, 3183, 2818, 1445, 2519, 2893, 3668, 3483, 2695, 2887, 2314, 2676, 5 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[N][#C][C][C][=N][C][=C][Branch1][Ring1][C][#N][C][=N][N][Ring1][#Branch1][C][=Ring1][O][N][C][=N][C][Branch2][Ring1][C][N][C][=C][C][=C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=C][Ring1][#Branch2][=N][C][Branch1][P][N][C][C][C][C@@H1][Ring1][Branch1][C][O][C][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=N]
[ 4, 1448, 2718, 2457, 3149, 3110, 1468, 1453, 3498, 3301, 2699, 2724, 1464, 2487, 3669, 2435, 5 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[C][O][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][N][Branch1][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]
[ 4, 3059, 2521, 2356, 2704, 2302, 2298, 2704, 2417, 1444, 5 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=N][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=C][S][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][N][O][C]
[ 4, 2358, 2796, 1444, 2316, 2303, 2304, 2337, 1464, 2340, 2497, 3134, 2331, 2839, 2584, 1451, 2332, 2299, 1451, 2434, 2318, 5 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[C][N][C][=N][C][=C][Ring1][Branch1][C][Branch1][=C][N][S+1][Branch1][C][O-1][C][Branch1][C][C][Branch1][C][C][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=C][Ring2][Ring1][Ring1][O][Ring2][Ring1][=Branch1]
[ 4, 1444, 2348, 2693, 1447, 1445, 1448, 1485, 2308, 1470, 1444, 2656, 1447, 2684, 2887, 2497, 2350, 2711, 2329, 1447, 2963, 2575, 2443, 1451, 2332, 5 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[C][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][Branch1][C][C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][=N][C][Branch2][Ring1][=N][N][C][=C][C][=C][C][Branch1][P][C][=C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][#Branch2][=C][Ring1][S][O][=N][Ring2][Ring2][Ring2]
[ 4, 2447, 3384, 2730, 2464, 2333, 3726, 2723, 3337, 1463, 2497, 2326, 2393, 3483, 1453, 2560, 5 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[C][C][N][C][Branch2][Ring1][Ring2][S][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][N][=C][Ring2][Ring1][C][C@H1][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Branch1][C][C][C]
[ 4, 2298, 2303, 2307, 1451, 2690, 2304, 2317, 2588, 2776, 2781, 2437, 2698, 1447, 1463, 2811, 2553, 1444, 2356, 5 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[C][C][O][N][Branch1][C][C][C][=Branch1][C][=O][C][N][C][=N][C][Branch1][#C][N][C][=N][NH1][C][=N][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=N][C][Branch1][=C][N][C][S][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=Branch2]
[ 4, 2499, 2704, 2715, 2388, 2348, 2397, 2684, 3361, 3526, 2361, 1465, 2487, 2311, 2399, 5 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[C][C][N][C][C][N][Branch2][Branch1][#C][C][C][=C][C][=C][Branch2][Branch1][C][N][C][=N][C][Branch1][S][N][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][=N][C][Branch2][Ring1][Ring2][N][C][C][C][C][C][C][Ring1][=Branch1][C][C@@H1][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][N][N][=C][Ring2][Ring2][Ring1][C][C][Ring2][Ring2][#Branch2]
[ 4, 2298, 3405, 3042, 2381, 2505, 3305, 3006, 2387, 2659, 2396, 1464, 2367, 2363, 1448, 2635, 1446, 2298, 3495, 5 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2]
[ 4, 2497, 3134, 2298, 2303, 2336, 2401, 2310, 2429, 2368, 5 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[O][=C][Branch1][Branch2][N][C][C][O][C][Ring1][Ring2][C][=C][C][=C][C][=C][N][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1]
[ 4, 3692, 2369, 3403, 2581, 2310, 2561, 2694, 2332, 5 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 0, 0, 0, 0, 0, 0, 0, 0, 1 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[C][C][Branch1][C][C][C][C][N][Branch1][Branch2][C][C][C][Branch1][C][C][C][C][C@H1][Branch1][C][O][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F]
[ 4, 2914, 1448, 2369, 2337, 2312, 3484, 2512, 2545, 1456, 5 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[C][=C][C][S][C][C][N][C][=N][C][Branch2][Ring1][=Branch1][N][C][C][=N][C][=C][Branch1][C][F][C][Branch1][C][F][=C][C][=C][Ring1][Branch2][NH1][Ring1][O][=N][C][Branch2][Ring1][=Branch1][N][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][C][Branch1][C][C][=C][Ring1][O][C][=N][Ring2][Ring1][S]
[ 4, 2317, 2690, 2478, 2394, 3370, 2386, 3287, 2923, 2448, 5 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[C][C][=C][C][=C][Branch1][C][O][C][Branch2][Branch1][P][C][N][C][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][C][Branch2][Ring1][=C][N][C][=N][C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][=C][Ring1][#C][N+1][=Branch1][C][=O][O-1][=N][Ring2][Ring2][Branch1][=N][Ring2][Ring2][=C]
[ 4, 2381, 2512, 3115, 1444, 2844, 2347, 2349, 2314, 2630, 2940, 2539, 1445, 3315, 2405, 2676, 2346, 1445, 5 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][Branch1][S][N][C][=N][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][=N][C][Branch2][Ring1][#Branch2][N][C@H1][Branch1][S][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][S]
[ 4, 1448, 1462, 2401, 2364, 2749, 2950, 2332, 2536, 2658, 1447, 1457, 2381, 2325, 3242, 2363, 1457, 5 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[C][C][=C][C][=C][Branch1][=C][O][C@@H1][Branch1][C][C][C@@H1][C][C][C][N][Ring1][Branch1][C][N][=C][C][Branch1][C][F][=C][Branch2][Ring1][Ring2][C][=C][NH1][C][=C][Branch1][C][F][C][=C][Branch1][C][F][C][=C][Ring1][O][Ring1][Branch2][C][Branch1][Branch1][C][C][C][#N][=C][C][Ring2][Ring1][=Branch1][=C][Ring2][Ring2][Ring1][N][Ring2][Ring2][=Branch1][C@H1][C@H1][C][N][C@@H1][Ring1][Branch1][C][Ring1][Branch1]
[ 4, 2381, 1447, 1445, 1453, 1464, 2312, 1464, 2739, 2487, 2462, 2588, 2307, 1451, 2299, 1466, 2591, 2591, 2422, 2974, 1447, 2356, 1472, 2329, 1451, 2332, 2352, 2434, 3098, 1465, 1465, 1444, 2542, 2487, 2340, 5 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[C][O][C][=C][C][=C][C][Branch2][Ring2][Branch1][O][C][=N][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=N][C][=C][Ring1][N][C][N][Branch1][#Branch2][C][C][S][C][=C][C][=Ring1][Branch1][C][C][C][Ring1][=N][=C][Ring2][Ring1][=C]
[ 4, 2498, 3065, 2318, 2596, 2564, 2332, 1449, 2315, 2303, 1448, 2412, 2298, 2956, 1468, 2356, 2748, 2575, 1445, 5 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[C][O][C][=C][N][=C][Branch2][Branch1][#Branch2][N][C][=N][C][Branch2][Ring1][C][N][C][C][N][N][=C][Branch1][C][C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=N][C][Branch2][Ring1][=Branch2][N][C][=C][C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][=C][C][=C][Ring1][O][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][P][N][=C][Ring2][Ring2][Branch2]
[ 4, 3416, 2562, 2439, 3162, 2356, 2333, 2910, 2508, 2341, 2369, 2341, 2601, 1445, 2422, 2363, 1463, 2635, 1452, 5 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[C][C][=C][C][=C][Branch1][C][O][C][Branch2][Branch1][#Branch1][C][N][C][=N][C][Branch2][Ring1][Branch2][N][C][=C][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][C][Ring1][#Branch2][=C][Ring1][=C][=N][C][Branch1][S][N][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=N][Ring2][Ring1][S][=N][Ring2][Ring2][=Branch2]
[ 4, 2381, 2512, 3438, 2526, 2327, 2299, 2556, 2368, 2815, 2886, 3943, 2448, 3035, 5 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[O][=C][Branch1][Ring1][N][Dy][C@@H1][Branch2][Ring2][#C][N][C][=N][C][Branch1][=C][N][C][C][N][C][C][C@@H1][Branch1][C][O][C][Ring1][=Branch1][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][=C][Ring1][O][=N][Ring2][Ring1][O][C][C][C][Ring1][Ring1]
[ 4, 3692, 2335, 1448, 1459, 1464, 2524, 2586, 3991, 3596, 3010, 2400, 2313, 2949, 2607, 5 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[O][=C][O][C][=C][C][Branch2][Ring1][=Branch2][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Branch1][C][Cl][C][=C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch2][C][C][C][Ring1][Branch1]
[ 4, 3692, 1453, 2317, 2307, 1458, 2519, 2472, 2592, 2461, 2673, 2299, 1451, 2340, 2299, 1451, 2367, 3009, 5 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[C][#C][C][C@@H1][Branch2][Branch1][Ring1][N][C][=N][C][Branch1][#Branch2][N][C][C][S][=Branch1][C][=O][C][C][=N][C][Branch2][Ring1][O][N][C][=N][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][=C][NH1][C][Ring1][Branch1][=N][Ring1][P][=N][Ring2][Ring1][#C][C][=Branch1][C][=O][N][Dy]
[ 4, 2481, 2473, 2802, 3675, 2680, 2453, 2545, 1445, 3132, 2340, 3496, 2708, 5 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[H][N][=C][C][Branch1][C][Cl][C][=Branch1][C][=N][O][C][C][C][O][C][C][Ring1][=Branch1]
[ 4, 1484, 2462, 2525, 2301, 1449, 2949, 2640, 5 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 0, 0, 0, 0, 0, 0, 0, 1 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[C][C][C][C][C][C][C][Branch1][C][C][O][C][C][Branch1][C][O][C][N]
[ 4, 2423, 2337, 2312, 2331, 2512, 1448, 5 ]
[ 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 0, 0, 0, 0, 0, 0, 1 ]
[ 1, 1, 1, 1, 1, 1, 1, 1 ]
[O][=C][Branch2][Ring1][=C][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][=N][C][=C][C][=C][N][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][C][Ring1][#C][N][C][C][C][N][C][C][C][C][C][C][Ring1][#Branch1]
[ 4, 3692, 2307, 1445, 2337, 2488, 2501, 2684, 2438, 2775, 2298, 1446, 1462, 2355, 2362, 2544, 5 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[C][C][NH1][NH1][C][=Branch1][C][=O][C][=Ring1][=Branch1][C][C][N][C][=N][C][Branch1][#C][N][C][C][N][C][C][S][=Branch1][C][=O][C][C][Ring1][#Branch1][=N][C][Branch2][Ring1][O][N][C@H1][Branch1][P][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][S]
[ 4, 2298, 1466, 3306, 1468, 1450, 2298, 2513, 2309, 2415, 2544, 2680, 2658, 1447, 3054, 2472, 2592, 2363, 1457, 5 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]