0  B21R3.24473  O=C(Nc1cccs1)c2ccc(s2)c3ccncc3 84f56dfbee3393214892ad2b7220787f [0,0,1,0,0,0|3,0,0]=4
1  B21R3.24473  O=C(Nc1cccs1)c2ccn(n2)c3ccncc3 9226d24787dc74f864f9461f28643d80 [0,0,1,0,0,0|3,0,0]=4
2  B21R3.24473  O=C(Nc1cccs1)c2cnc(o2)c3ccccc3 d6269bce3d362f28c576bf67d131f597 [0,0,1,0,0,0|3,0,0]=4
3  B21R3.24473  O=C(Nc1cccs1)c2cnc(s2)c3ccccc3 994432b5bda4f7563d1b51d7f1922714 [0,0,1,0,0,0|3,0,0]=4
4  B21R3.24473  O=C(Nc1cccs1)c2cnn(c2)c3ccncc3 d84560d729a04b189f2900b08ff40e55 [0,0,1,0,0,0|3,0,0]=4
5  B21R3.24473  O=C(Nc1cccs1)c2coc(n2)c3ccccc3 7713278fc2a69534edd300a297376497 [0,0,1,0,0,0|3,0,0]=4
6  B21R3.24473  O=C(Nc1cccs1)c2coc(n2)c3ccncc3 e1673527fad9a952819cd1bbc31d9501 [0,0,1,0,0,0|2,0,0]=3
7  B21R3.24473  O=C(Nc1cccs1)c2coc(n2)c3ccnnc3 c84b58ad3e31a9f6c873193e2095c7c7 [0,0,1,0,0,0|3,0,0]=4
8  B21R3.24473  O=C(Nc1cccs1)c2csc(n2)c3ccccc3 0891768db0737fc55eda05de8ef8a558 [0,0,1,0,0,0|3,0,0]=4
9  B21R3.24473  O=C(Nc1cccs1)c2csc(n2)c3ccncc3 f28f220a9e6f2ab7f9ca6e8db2cbecf6 [0,0,1,0,0,0|2,0,0]=3
10  B21R3.24473  O=C(Nc1cccs1)c2csc(n2)c3ccnnc3 253a91a48b566f48e4472029bc129489 [0,0,1,0,0,0|3,0,0]=4
11  B21R3.24473  O=C(Nc1cccs1)c2nc(no2)c3ccccc3 63ffc778edd99c7bb5c34bcbc574cd3e [0,0,1,0,0,0|3,0,0]=4
12  B21R3.24473  O=C(Nc1cccs1)c2nc(ns2)c3ccccc3 36206c0bf4f46ff8ad00cf20d88c99a2 [0,0,1,0,0,0|3,0,0]=4
13  B21R3.24473  O=C(Nc1ccns1)c2coc(n2)c3ccncc3 88f4f0b0d891d425f59f7175ac6af6fe [0,0,1,0,0,0|3,0,0]=4
14  B21R3.24473  O=C(Nc1ccns1)c2csc(n2)c3ccncc3 20bd15b30319c3d04cf11ab4149025d4 [0,0,1,0,0,0|3,0,0]=4
15  B21R3.24473  O=C(Nc1cncs1)c2coc(n2)c3ccncc3 e17ef0c2d9d1c59fba3cd7cd5b6669cf [0,0,1,0,0,0|3,0,0]=4
16  B21R3.24473  O=C(Nc1cncs1)c2csc(n2)c3ccncc3 bebaab1ad314de57c983f53137c87000 [0,0,1,0,0,0|3,0,0]=4
17  B21R3.24473  O=C(Nc1nccs1)c2coc(n2)c3ccncc3 5d724dd6f12f0a66fc4120ab47bb306a [0,0,1,0,0,0|3,0,0]=4
18  B21R3.24473  O=C(Nc1nccs1)c2csc(n2)c3ccncc3 b40244ad5d1a3231ba21170597e0064b [0,0,1,0,0,0|3,0,0]=4
19  B20R3.2591  O=Cc1sccc1c2cnc(s2)c3ccncc3 b92a72bbb2b7784cec69e9028002835c [1,0,1,0,0,0|2,0,0]=4
20  B20R3.2591  O=Cc1sccc1c2csc(n2)c3ccncc3 e2356f34f0304e33b0663e28fc126442 [1,0,1,0,0,0|2,0,0]=4
21  B20R3.2591  O=Cc1sccc1c2nc(cs2)c3ccncc3 73d9f290d3a1b94a5391048e0181957a [1,0,1,0,0,0|2,0,0]=4
22  B20R3.2591  O=Cc1sccc1c2nc(no2)c3ccccc3 8a6d5893d9800b7c5a4eee0aea4da035 [1,0,1,0,0,0|2,0,0]=4
23  B20R3.2591  O=Cc1sccc1c2nc(ns2)c3ccccc3 99b8bbeb1254b0d701f6c655bfd2c4d6 [1,0,1,0,0,0|2,0,0]=4
24  B20R3.2591  O=Cc1sccc1c2nnc(s2)c3ccncc3 217027a8c812205e6455c3cb308b4b74 [1,0,1,0,0,0|1,0,1]=4
25  B22R3.10639  Cc1ccc(s1)NC(=O)c2coc(n2)c3ccncc3 27719cadafdc73427c1ed33487399fd9 [0,1,1,0,0,0|2,0,0]=4
26  B22R3.10639  O=C(Nc1ccc(s1)Br)c2coc(n2)c3ccncc3 38e145d41bafe576b4226bb31c77f23a [0,1,1,0,0,0|2,0,0]=4
27  B22R3.11614  Cc1cc(ccn1)c2nc(co2)C(=O)Nc3cccs3 e7e4f01dd6d3999b4b1aa29fb6345741 [0,1,1,0,0,0|2,0,0]=4
28  B22R3.11614  Cc1cc(ccn1)c2ncc(s2)C(=O)Nc3cccs3 27ac4a530e686df282180354b17e6846 [0,1,1,0,0,0|2,0,0]=4
29  B22R3.231910  Cc1nc(sc1C(=O)Nc2cccs2)c3ccncc3 fcb2f27a5e369570e3a3ed3092e08931 [0,1,1,0,0,0|2,0,0]=4
30  B22R3.513  O=CNc1ccccc1c2nc(no2)c3ccncc3 a4c883de2602ff120c57ca234bc2cc82 [0,0,1,0,0,1|2,0,0]=4
31  B22R3.807  O=C(Nc1cccs1)c2ccc(cn2)c3ccncc3 1626792ab20d02ab6bb896fdf0e5d308 [0,0,1,0,0,1|2,0,0]=4
32  B22R3.807  O=C(Nc1cccs1)c2cnc(nc2)c3ccccc3 8bf3c9c4153b3f8dd83048124e0d56d5 [0,0,1,0,0,1|2,0,0]=4
33  B22R3.807  O=C(Nc1cccs1)c2cnc(nc2)c3ccncc3 2b40a0fffa90739eb021ec8838bf39bf [0,0,1,0,0,1|1,0,0]=3
34  B22R3.807  O=C(Nc1ccns1)c2cnc(nc2)c3ccncc3 cc4cbe59a342966bb0ced85302e9ac68 [0,0,1,0,0,1|2,0,0]=4
35  B22R3.807  O=C(Nc1cncs1)c2cnc(nc2)c3ccncc3 48d76ec92e13cb6cbe42717d36c6eb2a [0,0,1,0,0,1|2,0,0]=4
36  B22R3.807  O=C(Nc1nccs1)c2cnc(nc2)c3ccncc3 20d6a7e962ffab1f8b650e84ba28474d [0,0,1,0,0,1|2,0,0]=4
37  B22R3.36390  O=C(Nc1cccs1)c2cccc(n2)c3ccncc3 4ffb64c7e8ae4e088a9660dac640fa0e [0,0,1,0,0,1|2,0,0]=4
38  B22R3.36390  O=C(Nc1cccs1)c2ccnc(n2)c3ccccc3 838993f4efb34131cfc045154af9b7e8 [0,0,1,0,0,1|2,0,0]=4
39  B22R3.36390  O=C(Nc1cccs1)c2cncc(n2)c3ccccc3 dad836d03fb3717d1484103fb230be31 [0,0,1,0,0,1|2,0,0]=4
40  B22R3.36452  O=C(Cn1ccc(n1)c2ccccc2)Nc3cccs3 f6941591816fdd5fd144166547f072e2 [0,0,1,0,0,1|2,0,0]=4
41  B22R3.36452  O=C(Nc1nc(n[nH]1)c2ccncc2)Nc3cccs3 9f7215ce4b3be9372160457ad76c20a9 [0,0,1,0,0,1|2,0,0]=4
42  B22R3.63935  O=C(NCc1cccs1)c2coc(n2)c3ccncc3 0559458d6767e7b9b6ea4de0baa5e05d [0,0,1,0,0,1|2,0,0]=4
43  B22R3.63935  O=C(NCc1cccs1)c2csc(n2)c3ccncc3 8b844dabecba80af2d65a0e2ca83dd66 [0,0,1,0,0,1|2,0,0]=4