0  B10R1.4  CCNc1cccc[n+]1[O-] 02091f95b7d222da69935edad316aa89 [0,0,0,0,0,0|4,0,0]=4
1  B10R1.4  CCOc1cccc[n+]1[O-] 5e2e6a3eb33be14884bc8c1831a174ad [0,0,0,0,0,0|4,0,0]=4
2  B10R1.4  CCOc1ccccc1C dc9ee1b6b8a241cf6f51757c9fedb385 [0,0,0,0,0,0|4,0,0]=4
3  B10R1.4  Cc1ccccc1NC#N 7e6eab3f5ed5e6af5d6b2d62b4dc9747 [0,0,0,0,0,0|4,0,0]=4
4  B10R1.4  Cc1ccccc1NC=O 93463d97863750f67f3c00d910f09802 [0,0,0,0,0,0|3,0,1]=4
5  B10R1.4  Cc1ccccc1OCF 8baad2379a58970c56de2a8d01203209 [0,0,0,0,0,0|4,0,0]=4
6  B10R1.4  Cc1cccnc1NCO b9826d2a8449ec373392c9bb98cfc60e [0,0,0,0,0,0|4,0,0]=4
7  B10R1.4  Cc1ccncc1NCO e4933813d96bfefaf0bee2f99290507f [0,0,0,0,0,0|4,0,0]=4
8  B10R1.4  Cc1cnccc1NCO 9c8541485e7e2429c3deeaca1ea35ffc [0,0,0,0,0,0|4,0,0]=4
9  B10R1.4  Cc1ncccc1NCO 2163da6c3951ac44c1be417e09664d52 [0,0,0,0,0,0|4,0,0]=4
10  B10R1.4  O=CNc1cccc[n+]1[O-] 965e0abbb142b0680abb5ad3f95c2305 [0,0,0,0,0,0|3,0,1]=4
11  B10R1.4  OCNc1ccccc1I 10ade089d4f881d90e5208c43f98902f [0,0,0,0,0,0|4,0,0]=4
12  B10R1.4  [O-][n+]1ccccc1NCF b65f91bbb3439ebfdce812d59585bd97 [0,0,0,0,0,0|4,0,0]=4
13  B10R1.4  [O-][n+]1ccccc1NCO fb15ecba3e81f851e97973b2f9b23d07 [0,0,0,0,0,0|3,0,0]=3
14  B10R1.4  [O-][n+]1ccccc1OCF efe755020b864d4adb3a00bc05e56cdc [0,0,0,0,0,0|4,0,0]=4
15  B9R1.8  OCNc1ccccc1 6a26daba1a11b7282126aadb7f7b8f97 [1,0,0,0,0,0|3,0,0]=4
16  B9R1.8  OCNc1ccccn1 d59bc8d9974c705420d0aeed6cce1b06 [1,0,0,0,0,0|2,0,1]=4
17  B11R1.13  Cc1c(cccc1NCO)Cl ba49ea5a3a1115fa5109e74ec8d19d71 [0,1,0,0,0,0|3,0,0]=4
18  B11R1.13  Cc1cccc(c1C)NCO 39f3101218589cdae083d6d93b90de26 [0,1,0,0,0,0|3,0,0]=4
19  B11R1.13  Cn1c(cccc1=O)NCO 0e2798cdf65bfde4bba79930abd67875 [0,1,0,0,0,0|2,0,1]=4
20  B11R1.17  COCNc1cccc[n+]1[O-] 8a4b855df30f4b8bcd976578a1d35adf [0,1,0,0,0,0|3,0,0]=4
21  B11R1.17  COCNc1ccccc1C fb9a5d913c4919343dd03f9e91ff77a7 [0,1,0,0,0,0|3,0,0]=4
22  B11R1.17  COCOc1cccc[n+]1[O-] f278db29591ddfe1997376c81cbea609 [0,1,0,0,0,0|3,0,0]=4
23  B11R1.17  COCOc1ccccc1C 716fa0606a50157c01134bcaabfa95bd [0,1,0,0,0,0|3,0,0]=4
24  B11R1.17  Cc1ccccc1CNCO f33352c0e02ea4b4ea9a0720598f200e [0,1,0,0,0,0|1,0,2]=4
25  B11R1.17  Cc1ccccc1NCCO 5035e646db6f3a444835335ac8083c14 [0,1,0,0,0,0|2,0,1]=4
26  B11R1.17  [O-][n+]1ccccc1CNCO f44a10283482acb4e38bb9f793c09558 [0,1,0,0,0,0|1,0,2]=4
27  B11R1.17  [O-][n+]1ccccc1NCCO 22efb9f86d8049f196573cec9343adc3 [0,1,0,0,0,0|2,0,1]=4
28  B11R1.41  CSc1ccccc1NCO 5f4ee4b2deba125b7ab7cfc90f82e981 [0,1,0,0,0,0|3,0,0]=4
29  B11R1.41  OCNc1ccccc1CBr 3b24406b7371fa2881dc8ec2263c9bac [0,1,0,0,0,0|3,0,0]=4
30  B11R1.41  OCNc1ccccc1CO ab1fb8c66784baac30b9b8d46c6a4ddd [0,1,0,0,0,0|3,0,0]=4
31  B11R1.41  OCNc1ccccc1CS fcb5df5f042628a11c8ac2bf8098dfd2 [0,1,0,0,0,0|3,0,0]=4
32  B11R1.81  Cc1cc(ccc1NCO)Cl 093e3f1cdef4db3c42238de2f614909a [0,1,0,0,0,0|3,0,0]=4
33  B11R1.81  Cc1cc(ccc1NCO)F cb14931433317e596e0a8fde97a56b65 [0,1,0,0,0,0|3,0,0]=4
34  B11R1.81  Cc1cc(ccc1NCO)I d7f6408cdde21c1d4c81d45bab28a303 [0,1,0,0,0,0|3,0,0]=4
35  B11R1.182  Cc1ccc(cc1NCO)Cl 22030249ec24220232849c3887d48d20 [0,1,0,0,0,0|3,0,0]=4
36  B11R1.182  Cc1ccc(cc1NCO)F 4bc1d40621dfe8930c1589eba0cbfdb4 [0,1,0,0,0,0|3,0,0]=4
37  B11R1.182  Cc1ccc(cc1NCO)I 9d5973ef6801ea40714771e22f6ab633 [0,1,0,0,0,0|3,0,0]=4
38  B11R1.222  Cc1ccccc1N(C)CO 360a66e6984b8285375a37f5a2a3ef94 [0,1,0,0,0,0|3,0,0]=4
39  B11R1.605  Cc1cccc(c1NCO)C d904894c28d4a9f50022cce2016578ec [0,1,0,0,0,0|3,0,0]=4
40  B11R1.605  Cc1cccc(c1NCO)Cl 8cfea1d1a6a77734ea6762688ece33b6 [0,1,0,0,0,0|3,0,0]=4
41  B11R1.605  Cc1cccc(c1NCO)F f9d114753dc85efe907a3a26fc109db7 [0,1,0,0,0,0|3,0,0]=4
42  B11R1.605  Cc1cccc(c1NCO)I e771995c9e7a71c9b406c186265e2670 [0,1,0,0,0,0|3,0,0]=4
43  B12R1.267  Cc1ccccc1NC/C=C\O e209ed49eeb2421b7d0894c2af288847 [0,2,0,0,0,0|2,0,0]=4
44  B12R1.267  [O-][n+]1ccccc1NC/C=C\O 0c33777842c46bec4c388a9af8ac9313 [0,2,0,0,0,0|2,0,0]=4
45  B12R1.371  Cc1ccccc1NC(=O)CO 8d990dc3b3796a0c64c8b86b8490eb78 [0,2,0,0,0,0|2,0,0]=4
46  B10R1.11  C=CCN(C)c1cnoc1 88a47e9e84af74a345565a2a4e034982 [0,0,1,1,0,0|0,0,2]=4