0 B13R1.119 C#CCCOCCCc1ccsc1 34a_200000699776_100000688953 [0,0,1,0,0,0|1,0,1]=3 1 B13R1.119 C#CCCOCCCc1ccsc1 7a_200000699776_100000688953 [0,0,1,0,0,0|1,0,1]=3 2 B13R1.119 C/C=C/COCCCc1ccsc1 34a_200000699776_100102629194 [0,0,1,0,0,0|1,0,1]=3 3 B13R1.119 C/C=C/COCCCc1ccsc1 7a_200000699776_100102629194 [0,0,1,0,0,0|1,0,1]=3 4 B13R1.119 C=CCCOCCCc1ccsc1 34a_200000699776_100000754431 [0,0,1,0,0,0|1,0,1]=3 5 B13R1.119 C=CCCOCCCc1ccsc1 7a_200000699776_100000754431 [0,0,1,0,0,0|1,0,1]=3 6 B13R1.119 CC#CCOCCCc1ccsc1 34a_200000699776_100000748600 [0,0,1,0,0,0|1,0,1]=3 7 B13R1.119 CC#CCOCCCc1ccsc1 7a_200000699776_100000748600 [0,0,1,0,0,0|1,0,1]=3 8 B13R1.119 CC=CCOCCCc1ccsc1 34a_200000699776_100000070051 [0,0,1,0,0,0|1,0,1]=3 9 B13R1.119 CC=CCOCCCc1ccsc1 7a_200000699776_100000070051 [0,0,1,0,0,0|1,0,1]=3 10 B13R1.119 CCCCCCCOc1ccsc1 34a_100000106738_100000210614 [0,0,1,0,0,0|3,0,0]=4 11 B13R1.119 CCCCCCCOc1ccsc1 7a_100000106738_100000210614 [0,0,1,0,0,0|3,0,0]=4 12 B13R1.119 CCCCCCCSc1ccsc1 62a_100000210614_100000738268 [0,0,1,0,0,0|3,0,0]=4 13 B13R1.119 CCCCCCCSc1ccsc1 62a_100000738268_100000210316 [0,0,1,0,0,0|3,0,0]=4 14 B13R1.119 CCCCCCNCc1ccsc1 207a_100000210581_100000188534 [0,0,1,0,0,0|3,0,0]=4 15 B13R1.119 CCCCCCNCc1ccsc1 2230a_100000186416_100000210314 [0,0,1,0,0,0|3,0,0]=4 16 B13R1.119 CCCCCCNCc1ccsc1 2230a_100000210581_100011261437 [0,0,1,0,0,0|3,0,0]=4 17 B13R1.119 CCCCCCNCc1ccsc1 270004a_100000210581_100000188534 [0,0,1,0,0,0|3,0,0]=4 18 B13R1.119 CCCCCCNCc1ccsc1 34a_100000186416_100000210314 [0,0,1,0,0,0|3,0,0]=4 19 B13R1.119 CCCCCCOCc1ccsc1 34a_100000210259_100011261437 [0,0,1,0,0,0|3,0,0]=4 20 B13R1.119 CCCCCCOCc1ccsc1 34a_100011215551_100000210314 [0,0,1,0,0,0|3,0,0]=4 21 B13R1.119 CCCCCCOCc1ccsc1 7a_100000210259_100011261437 [0,0,1,0,0,0|3,0,0]=4 22 B13R1.119 CCCCCCSCc1ccsc1 62a_100000210314_100011233845 [0,0,1,0,0,0|3,0,0]=4 23 B13R1.119 CCCCCCSCc1ccsc1 62a_100011261437_100000210757 [0,0,1,0,0,0|3,0,0]=4 24 B13R1.119 CCCCCNCCc1ccsc1 2230a_100000692642_100000210326 [0,0,1,0,0,0|3,0,0]=4 25 B13R1.119 CCCCCNCCc1ccsc1 34a_100000692642_100000718602 [0,0,1,0,0,0|3,0,0]=4 26 B13R1.119 CCCCCOCCc1ccsc1 34a_100000748821_100000718602 [0,0,1,0,0,0|3,0,0]=4 27 B13R1.119 CCCCOCCCc1cccs1 34a_100000210227_100010992444 [0,0,1,0,0,0|3,0,0]=4 28 B13R1.119 CCCCOCCCc1cccs1 34a_100011713143_100000210210 [0,0,1,0,0,0|3,0,0]=4 29 B13R1.119 CCCCOCCCc1cccs1 7a_100000210227_100010992444 [0,0,1,0,0,0|3,0,0]=4 30 B13R1.119 CCCCOCCCc1cccs1 7a_100011713143_100000210211 [0,0,1,0,0,0|3,0,0]=4 31 B13R1.119 CCCCOCCCc1ccsc1 34a_200000699776_100000210210 [0,0,1,0,0,0|1,0,0]=2 32 B13R1.119 CCCCOCCCc1ccsc1 7a_200000699776_100000210211 [0,0,1,0,0,0|1,0,0]=2 33 B13R1.119 CCCCOCCCc1cnoc1 34a_100011738005_100000210210 [0,0,1,0,0,0|2,1,0]=4 34 B13R1.119 CCCCOCCCn1cccc1 34a_100000179399_100000210210 [0,0,1,0,0,0|3,0,0]=4 35 B13R1.119 CCCCOCCCn1cccc1 34a_100000210227_200009814367 [0,0,1,0,0,0|3,0,0]=4 36 B13R1.119 CCCCOCCCn1cccc1 7a_100000179399_100000210211 [0,0,1,0,0,0|3,0,0]=4 37 B13R1.119 CCCCOCCCn1cccc1 7a_100000210227_200009814367 [0,0,1,0,0,0|3,0,0]=4 38 B13R1.119 CCCCOCCCn1ccnc1 34a_100000210227_100000756272 [0,0,1,0,0,0|3,0,0]=4 39 B13R1.119 CCCCOCCCn1ccnc1 34a_100000240236_100000210210 [0,0,1,0,0,0|3,0,0]=4 40 B13R1.119 CCCCOCCCn1ccnc1 7a_100000210227_100000756272 [0,0,1,0,0,0|3,0,0]=4 41 B13R1.119 CCCCOCCOc1ccsc1 34a_100000106738_100000743108 [0,0,1,0,0,0|2,0,0]=3 42 B13R1.119 CCCCOCCOc1ccsc1 7a_100000106738_100000743108 [0,0,1,0,0,0|2,0,0]=3 43 B13R1.119 CCCCOCCSc1ccoc1 62a_100000743108_100011215275 [0,0,1,0,0,0|2,1,0]=4 44 B13R1.119 CCCCOCCSc1ccoc1 62a_100011215275_100000743108 [0,0,1,0,0,0|2,1,0]=4 45 B13R1.119 CCCCOCCSc1ccsc1 62a_100000738268_100000743108 [0,0,1,0,0,0|2,0,0]=3 46 B13R1.119 CCCCOCCSc1ccsc1 62a_100000743108_100000738268 [0,0,1,0,0,0|2,0,0]=3 47 B13R1.119 CCCCOCCSc1ccsn1 62a_100000743108_100009818082 [0,0,1,0,0,0|3,0,0]=4 48 B13R1.119 CCCCOCCSc1ccsn1 62a_100009818082_100000743108 [0,0,1,0,0,0|3,0,0]=4 49 B13R1.119 CCCCOCCSc1cnsc1 62a_100000743108_100009815736 [0,0,1,0,0,0|3,0,0]=4 50 B13R1.119 CCCCOCCSc1cnsc1 62a_100009815736_100000743108 [0,0,1,0,0,0|3,0,0]=4 51 B13R1.119 CCCCOCCSc1cscn1 62a_100000743108_100000751502 [0,0,1,0,0,0|3,0,0]=4 52 B13R1.119 CCCCOCCSc1cscn1 62a_100000751502_100000743108 [0,0,1,0,0,0|3,0,0]=4 53 B13R1.119 CCCCOCNCc1ccoc1 2230a_100015206860_100011995733 [0,0,1,0,0,0|2,1,0]=4 54 B13R1.119 CCCCOCNCc1ccoc1 34a_100015206860_100011995733 [0,0,1,0,0,0|2,1,0]=4 55 B13R1.119 CCCCOCNCc1ccsc1 2230a_100000186416_100011995733 [0,0,1,0,0,0|2,0,0]=3 56 B13R1.119 CCCCOCNCc1ccsc1 34a_100000186416_100011995733 [0,0,1,0,0,0|2,0,0]=3 57 B13R1.119 CCCCOCNCc1cscn1 2230a_100015185402_100011995733 [0,0,1,0,0,0|3,0,0]=4 58 B13R1.119 CCCCOCOCc1ccoc1 34a_100011215357_100011995733 [0,0,1,0,0,0|2,1,0]=4 59 B13R1.119 CCCCOCOCc1ccsc1 34a_100011215551_100011995733 [0,0,1,0,0,0|2,0,0]=3 60 B13R1.119 CCCCOCSCc1ccsc1 62a_100011261437_100011995733 [0,0,1,0,0,0|2,0,0]=3 61 B13R1.119 CCCCOCSCc1ccsc1 62a_100011995733_100011233845 [0,0,1,0,0,0|2,0,0]=3 62 B13R1.119 CCCCOCSCc1cscn1 62a_100000205941_100011995733 [0,0,1,0,0,0|3,0,0]=4 63 B13R1.119 CCCCOCSCc1cscn1 62a_100011995733_100000205941 [0,0,1,0,0,0|3,0,0]=4 64 B13R1.119 COCCCCNCc1ccsc1 2230a_100000186416_100000730899 [0,0,1,0,0,0|3,0,0]=4 65 B13R1.119 COCCCCNCc1ccsc1 34a_100000186416_100000755781 [0,0,1,0,0,0|3,0,0]=4 66 B13R1.119 COCCCCOCc1ccsc1 34a_100000740925_100011261437 [0,0,1,0,0,0|3,0,0]=4 67 B13R1.119 COCCCCOCc1ccsc1 34a_100011215551_100000755781 [0,0,1,0,0,0|3,0,0]=4 68 B13R1.119 COCCCCSCc1ccsc1 62a_100000730899_100011233845 [0,0,1,0,0,0|3,0,0]=4 69 B13R1.119 COCCCCSCc1ccsc1 62a_100011261437_100000730899 [0,0,1,0,0,0|3,0,0]=4 70 B13R1.119 COCCCNCCc1ccsc1 2230a_100000692642_100000740836 [0,0,1,0,0,0|3,0,0]=4 71 B13R1.119 COCCCNCCc1ccsc1 34a_100000692642_100000740836 [0,0,1,0,0,0|3,0,0]=4 72 B13R1.119 COCCCOCCc1ccsc1 34a_100000748821_100000740836 [0,0,1,0,0,0|3,0,0]=4 73 B13R1.119 COCCOCCCc1cccs1 34a_100000210237_100010992444 [0,0,1,0,0,0|3,0,0]=4 74 B13R1.119 COCCOCCCc1cccs1 34a_100011713143_100011201679 [0,0,1,0,0,0|3,0,0]=4 75 B13R1.119 COCCOCCCc1cccs1 7a_100011713143_100000233755 [0,0,1,0,0,0|3,0,0]=4 76 B13R1.119 COCCOCCCc1ccsc1 34a_200000699776_100011201679 [0,0,1,0,0,0|1,0,0]=2 77 B13R1.119 COCCOCCCc1ccsc1 7a_200000699776_100000233755 [0,0,1,0,0,0|1,0,0]=2 78 B13R1.119 COCCOCCCc1cnoc1 34a_100011738005_100011201679 [0,0,1,0,0,0|2,1,0]=4 79 B13R1.119 COCCOCCCn1cccc1 34a_100000179399_100011201679 [0,0,1,0,0,0|3,0,0]=4 80 B13R1.119 COCCOCCCn1cccc1 34a_100000210237_200009814367 [0,0,1,0,0,0|3,0,0]=4 81 B13R1.119 COCCOCCCn1cccc1 7a_100000179399_100000233755 [0,0,1,0,0,0|3,0,0]=4 82 B13R1.119 COCCOCCCn1ccnc1 34a_100000210237_100000756272 [0,0,1,0,0,0|3,0,0]=4 83 B13R1.119 COCCOCCCn1ccnc1 34a_100000240236_100011201679 [0,0,1,0,0,0|3,0,0]=4 84 B13R1.119 COCCOCCOc1ccsc1 34a_100000106738_100000695917 [0,0,1,0,0,0|2,0,0]=3 85 B13R1.119 COCCOCCOc1ccsc1 7a_100000106738_100000695917 [0,0,1,0,0,0|2,0,0]=3 86 B13R1.119 COCCOCCSc1ccoc1 62a_100000695917_100011215275 [0,0,1,0,0,0|2,1,0]=4 87 B13R1.119 COCCOCCSc1ccoc1 62a_100011215275_100000695917 [0,0,1,0,0,0|2,1,0]=4 88 B13R1.119 COCCOCCSc1ccsc1 62a_100000695917_100000738268 [0,0,1,0,0,0|2,0,0]=3 89 B13R1.119 COCCOCCSc1ccsc1 62a_100000738268_100000695917 [0,0,1,0,0,0|2,0,0]=3 90 B13R1.119 COCCOCCSc1ccsn1 62a_100000695917_100009818082 [0,0,1,0,0,0|3,0,0]=4 91 B13R1.119 COCCOCCSc1ccsn1 62a_100009818082_100000695917 [0,0,1,0,0,0|3,0,0]=4 92 B13R1.119 COCCOCCSc1cnsc1 62a_100000695917_100009815736 [0,0,1,0,0,0|3,0,0]=4 93 B13R1.119 COCCOCCSc1cnsc1 62a_100009815736_100000695917 [0,0,1,0,0,0|3,0,0]=4 94 B13R1.119 COCCOCCSc1cscn1 62a_100000695917_100000751502 [0,0,1,0,0,0|3,0,0]=4 95 B13R1.119 COCCOCCSc1cscn1 62a_100000751502_100000695917 [0,0,1,0,0,0|3,0,0]=4 96 B13R1.119 COCCOCNCc1ccoc1 2230a_100015206860_100000231047 [0,0,1,0,0,0|2,1,0]=4 97 B13R1.119 COCCOCNCc1ccsc1 2230a_100000186416_100000231047 [0,0,1,0,0,0|2,0,0]=3 98 B13R1.119 COCCOCNCc1cscn1 2230a_100015185402_100000231047 [0,0,1,0,0,0|3,0,0]=4 99 B13R1.119 COCCOCSCc1ccsc1 62a_100000231047_100011233845 [0,0,1,0,0,0|2,0,0]=3 100 B13R1.119 COCCOCSCc1ccsc1 62a_100011261437_100000231047 [0,0,1,0,0,0|2,0,0]=3 101 B13R1.119 COCCOCSCc1cscn1 62a_100000205941_100000231047 [0,0,1,0,0,0|3,0,0]=4 102 B13R1.119 COCCOCSCc1cscn1 62a_100000231047_100000205941 [0,0,1,0,0,0|3,0,0]=4 103 B13R1.119 CSCCCCOCc1ccsc1 34a_100011217163_100011261437 [0,0,1,0,0,0|3,0,0]=4 104 B13R1.119 CSCCCCOCc1ccsc1 7a_100011217163_100011261437 [0,0,1,0,0,0|3,0,0]=4 105 B13R1.119 CSCCOCCCc1cccs1 34a_100000230434_100010992444 [0,0,1,0,0,0|3,0,0]=4 106 B13R1.119 CSCCOCCCc1cccs1 34a_100011713143_100000212216 [0,0,1,0,0,0|3,0,0]=4 107 B13R1.119 CSCCOCCCc1cccs1 7a_100000230434_100010992444 [0,0,1,0,0,0|3,0,0]=4 108 B13R1.119 CSCCOCCCc1cccs1 7a_100011713143_100000212216 [0,0,1,0,0,0|3,0,0]=4 109 B13R1.119 CSCCOCCCc1ccsc1 34a_200000699776_100000212216 [0,0,1,0,0,0|1,0,0]=2 110 B13R1.119 CSCCOCCCc1ccsc1 7a_200000699776_100000212216 [0,0,1,0,0,0|1,0,0]=2 111 B13R1.119 CSCCOCCCc1cnoc1 34a_100011738005_100000212216 [0,0,1,0,0,0|2,1,0]=4 112 B13R1.119 CSCCOCCCn1cccc1 34a_100000179399_100000212216 [0,0,1,0,0,0|3,0,0]=4 113 B13R1.119 CSCCOCCCn1cccc1 34a_100000230434_200009814367 [0,0,1,0,0,0|3,0,0]=4 114 B13R1.119 CSCCOCCCn1cccc1 7a_100000179399_100000212216 [0,0,1,0,0,0|3,0,0]=4 115 B13R1.119 CSCCOCCCn1cccc1 7a_100000230434_200009814367 [0,0,1,0,0,0|3,0,0]=4 116 B13R1.119 CSCCOCCCn1ccnc1 34a_100000230434_100000756272 [0,0,1,0,0,0|3,0,0]=4 117 B13R1.119 CSCCOCCCn1ccnc1 34a_100000240236_100000212216 [0,0,1,0,0,0|3,0,0]=4 118 B13R1.119 CSCCOCCCn1ccnc1 7a_100000230434_100000756272 [0,0,1,0,0,0|3,0,0]=4 119 B13R1.119 FCCCOCCCc1ccsc1 34a_200000699776_100011934791 [0,0,1,0,0,0|2,0,0]=3 120 B13R1.119 FCCCOCCCc1ccsc1 7a_200000699776_100011934791 [0,0,1,0,0,0|2,0,0]=3 121 B13R1.119 N#CCCOCCCc1ccsc1 7a_200000699776_100000184422 [0,0,1,0,0,0|2,0,0]=3 122 B13R1.119 OCCCOCCCc1ccsc1 34a_200000699776_100000230001 [0,0,1,0,0,0|2,0,0]=3 123 B13R1.119 OCCCOCCCc1ccsc1 7a_200000699776_100011215043 [0,0,1,0,0,0|2,0,0]=3 124 B13R1.170 C=CCC(OCCC)c1ccco1 34a_100011729935_100000210303 [0,0,1,0,0,0|1,1,1]=4 125 B13R1.170 C=CCC(OCCC)c1ccco1 7a_100011729935_100000210303 [0,0,1,0,0,0|1,1,1]=4 126 B13R1.170 CCCC(NCCF)c1cccs1 2230a_200015187693_100011217306 [0,0,1,0,0,0|3,0,0]=4 127 B13R1.170 CCCC(NCCF)c1cccs1 269862a_100000724931_100011218182 [0,0,1,0,0,0|3,0,0]=4 128 B13R1.170 CCCC(NCCF)c1cccs1 34a_200015187693_100011217306 [0,0,1,0,0,0|3,0,0]=4 129 B13R1.170 CCCC(NCCO)c1cccs1 2230a_200015187693_100000211926 [0,0,1,0,0,0|3,0,0]=4 130 B13R1.170 CCCC(NCCO)c1cccs1 269862a_100000210304_100011218182 [0,0,1,0,0,0|3,0,0]=4 131 B13R1.170 CCCC(NCCO)c1cccs1 34a_200015187693_100000211926 [0,0,1,0,0,0|3,0,0]=4 132 B13R1.170 CCCC(NCOC)c1cccs1 2230a_200015187693_100000766300 [0,0,1,0,0,0|3,0,0]=4 133 B13R1.170 CCCC(NCSC)c1cccs1 2230a_200015187693_100011218213 [0,0,1,0,0,0|3,0,0]=4 134 B13R1.170 CCCC(NCSC)c1cccs1 34a_200015187693_100011218213 [0,0,1,0,0,0|3,0,0]=4 135 B13R1.170 CCCCC(NCC)c1cccs1 269862a_100015525214_200011267864 [0,0,1,0,0,0|3,0,0]=4 136 B13R1.170 CCCNC(CCC)c1ccco1 269862a_100020643023_200011535218 [0,0,1,0,0,0|2,1,0]=4 137 B13R1.170 CCCNC(CCC)c1cccs1 2230a_200015187693_100000210303 [0,0,1,0,0,0|2,0,0]=3 138 B13R1.170 CCCNC(CCC)c1cccs1 269862a_100020643023_100011218182 [0,0,1,0,0,0|2,0,0]=3 139 B13R1.170 CCCNC(CCC)c1cccs1 34a_200015187693_100000210303 [0,0,1,0,0,0|2,0,0]=3 140 B13R1.579 CCCCc1ccsc1CCCC 271570a_100020621405_100010071534 [0,0,1,0,0,0|2,0,0]=3 141 B13R1.579 CCCCc1ccsc1SCCC 62a_100000210303_100010071534 [0,0,1,0,0,0|3,0,0]=4 142 B13R1.579 CCCCc1ccsc1SCCC 62a_100010071534_100000210303 [0,0,1,0,0,0|3,0,0]=4 143 B13R1.579 CCCCc1ccsc1SCOC 62a_100000766300_100010071534 [0,0,1,0,0,0|3,0,0]=4 144 B13R1.579 CCCCc1ccsc1SCOC 62a_100010071534_100000766300 [0,0,1,0,0,0|3,0,0]=4 145 B13R1.579 CCCCc1ccsc1SCSC 62a_100010071534_100011218213 [0,0,1,0,0,0|3,0,0]=4 146 B13R1.579 CCCCc1ccsc1SCSC 62a_100011218213_100010071534 [0,0,1,0,0,0|3,0,0]=4 147 B13R1.1344 CCCC(NCC)c1sccc1C 269862a_100015525214_200011510482 [0,0,1,0,0,0|2,0,0]=3 148 B13R2.292 CCNC1CCCc2c1occ2 269862a_100015525214_100009877200 [0,0,0,0,1,0|2,1,0]=4 149 B13R2.292 CNCC1OCCc2c1ccs2 2230a_100025773454_200000210301 [0,0,0,0,1,0|2,0,0]=3 150 B13R2.292 CNCC1OCCc2c1ccs2 34a_100025773454_200000210301 [0,0,0,0,1,0|2,0,0]=3 151 B13R2.292 [13CH3]NCC1OCCc2c1ccs2 2230a_100025773454_200025704644 [0,0,0,0,1,0|2,0,0]=3 152 B13R2.292 [13CH3]NCC1OCCc2c1ccs2 34a_100025773454_200025704644 [0,0,0,0,1,0|2,0,0]=3 153 B12R1.37 C#CCCOCCc1ccsc1 34a_100000748821_100000688953 [1,0,1,0,0,0|1,0,1]=4 154 B12R1.37 C#CCOCCCc1ccsc1 34a_200000699776_100000184674 [1,0,1,0,0,0|0,0,2]=4 155 B12R1.37 C#CCOCCCc1ccsc1 7a_200000699776_100000038162 [1,0,1,0,0,0|0,0,2]=4 156 B12R1.37 C/C=C/COCCc1ccsc1 34a_100000748821_100102629194 [1,0,1,0,0,0|1,0,1]=4 157 B12R1.37 C=CCCOCCc1ccsc1 34a_100000748821_100000754431 [1,0,1,0,0,0|1,0,1]=4 158 B12R1.37 C=CCOCCCc1ccsc1 34a_200000699776_100015514636 [1,0,1,0,0,0|0,0,2]=4 159 B12R1.37 C=CCOCCCc1ccsc1 7a_200000699776_100015514636 [1,0,1,0,0,0|0,0,2]=4 160 B12R1.37 CC#CCOCCc1ccsc1 34a_100000748821_100000748600 [1,0,1,0,0,0|1,0,1]=4 161 B12R1.37 CC=CCOCCc1ccsc1 34a_100000748821_100000070051 [1,0,1,0,0,0|1,0,1]=4 162 B12R1.37 CCCCCCOc1ccsc1 34a_100000106738_100000210314 [1,0,1,0,0,0|2,0,0]=4 163 B12R1.37 CCCCCCOc1ccsc1 7a_100000106738_100000210314 [1,0,1,0,0,0|2,0,0]=4 164 B12R1.37 CCCCCCSc1ccsc1 62a_100000210314_100000738268 [1,0,1,0,0,0|2,0,0]=4 165 B12R1.37 CCCCCCSc1ccsc1 62a_100000738268_100000210757 [1,0,1,0,0,0|2,0,0]=4 166 B12R1.37 CCCCCNCc1ccsc1 207a_100000209983_100000188534 [1,0,1,0,0,0|2,0,0]=4 167 B12R1.37 CCCCCNCc1ccsc1 2230a_100000186416_100000210326 [1,0,1,0,0,0|2,0,0]=4 168 B12R1.37 CCCCCNCc1ccsc1 2230a_100000209983_100011261437 [1,0,1,0,0,0|2,0,0]=4 169 B12R1.37 CCCCCNCc1ccsc1 270004a_100000209983_100000188534 [1,0,1,0,0,0|2,0,0]=4 170 B12R1.37 CCCCCNCc1ccsc1 34a_100000186416_100000718602 [1,0,1,0,0,0|2,0,0]=4 171 B12R1.37 CCCCCOCc1ccsc1 34a_100000210253_100011261437 [1,0,1,0,0,0|2,0,0]=4 172 B12R1.37 CCCCCOCc1ccsc1 34a_100011215551_100000718602 [1,0,1,0,0,0|2,0,0]=4 173 B12R1.37 CCCCCOCc1ccsc1 7a_100000210253_100011261437 [1,0,1,0,0,0|2,0,0]=4 174 B12R1.37 CCCCCSCc1ccsc1 62a_100000210326_100011233845 [1,0,1,0,0,0|2,0,0]=4 175 B12R1.37 CCCCCSCc1ccsc1 62a_100011261437_100000210326 [1,0,1,0,0,0|2,0,0]=4 176 B12R1.37 CCCCNCCc1ccsc1 2230a_100000692642_100000210211 [1,0,1,0,0,0|2,0,0]=4 177 B12R1.37 CCCCNCCc1ccsc1 34a_100000692642_100000210210 [1,0,1,0,0,0|2,0,0]=4 178 B12R1.37 CCCCOCC[n+]1ccsc1 34a_200000100414_100000210210 [1,0,1,0,0,0|2,0,0]=4 179 B12R1.37 CCCCOCCc1ccsc1 34a_100000748821_100000210210 [1,0,1,0,0,0|1,0,0]=3 180 B12R1.37 CCCCOCOc1ccsc1 34a_100000106738_100011995733 [1,0,1,0,0,0|2,0,0]=4 181 B12R1.37 CCCCOCSc1ccsc1 62a_100000738268_100011995733 [1,0,1,0,0,0|2,0,0]=4 182 B12R1.37 CCCCOCSc1ccsc1 62a_100011995733_100000738268 [1,0,1,0,0,0|2,0,0]=4 183 B12R1.37 CCCOCCCc1cccs1 34a_100000210258_100010992444 [1,0,1,0,0,0|2,0,0]=4 184 B12R1.37 CCCOCCCc1cccs1 34a_100011713143_100000210303 [1,0,1,0,0,0|2,0,0]=4 185 B12R1.37 CCCOCCCc1cccs1 7a_100011713143_100000210303 [1,0,1,0,0,0|2,0,0]=4 186 B12R1.37 CCCOCCCc1ccsc1 34a_200000699776_100000210303 [1,0,1,0,0,0|0,0,0]=2 187 B12R1.37 CCCOCCCc1ccsc1 7a_200000699776_100000210303 [1,0,1,0,0,0|0,0,0]=2 188 B12R1.37 CCCOCCCc1cnoc1 34a_100011738005_100000210303 [1,0,1,0,0,0|1,1,0]=4 189 B12R1.37 CCCOCCCn1cccc1 34a_100000179399_100000210303 [1,0,1,0,0,0|2,0,0]=4 190 B12R1.37 CCCOCCCn1cccc1 34a_100000210258_200009814367 [1,0,1,0,0,0|2,0,0]=4 191 B12R1.37 CCCOCCCn1cccc1 7a_100000179399_100000210303 [1,0,1,0,0,0|2,0,0]=4 192 B12R1.37 CCCOCCCn1ccnc1 34a_100000210258_100000756272 [1,0,1,0,0,0|2,0,0]=4 193 B12R1.37 CCCOCCCn1ccnc1 34a_100000240236_100000210303 [1,0,1,0,0,0|2,0,0]=4 194 B12R1.37 CCCOCCOc1ccsc1 34a_100000106738_100011215938 [1,0,1,0,0,0|1,0,0]=3 195 B12R1.37 CCCOCCOc1ccsc1 7a_100000106738_100011215938 [1,0,1,0,0,0|1,0,0]=3 196 B12R1.37 CCCOCCSc1ccoc1 62a_100011215275_100011215938 [1,0,1,0,0,0|1,1,0]=4 197 B12R1.37 CCCOCCSc1ccoc1 62a_100011215938_100011215275 [1,0,1,0,0,0|1,1,0]=4 198 B12R1.37 CCCOCCSc1ccsc1 62a_100000738268_100011215938 [1,0,1,0,0,0|1,0,0]=3 199 B12R1.37 CCCOCCSc1ccsc1 62a_100011215938_100000738268 [1,0,1,0,0,0|1,0,0]=3 200 B12R1.37 CCCOCCSc1ccsn1 62a_100009818082_100011215938 [1,0,1,0,0,0|2,0,0]=4 201 B12R1.37 CCCOCCSc1ccsn1 62a_100011215938_100009818082 [1,0,1,0,0,0|2,0,0]=4 202 B12R1.37 CCCOCCSc1cnsc1 62a_100009815736_100011215938 [1,0,1,0,0,0|2,0,0]=4 203 B12R1.37 CCCOCCSc1cnsc1 62a_100011215938_100009815736 [1,0,1,0,0,0|2,0,0]=4 204 B12R1.37 CCCOCCSc1cscn1 62a_100000751502_100011215938 [1,0,1,0,0,0|2,0,0]=4 205 B12R1.37 CCCOCCSc1cscn1 62a_100011215938_100000751502 [1,0,1,0,0,0|2,0,0]=4 206 B12R1.37 CNCCCOCc1ccsc1 34a_100000213112_100011261437 [1,0,1,0,0,0|1,0,0]=3 207 B12R1.37 CNCCCOCc1cscn1 34a_100000213112_100000205941 [1,0,1,0,0,0|2,0,0]=4 208 B12R1.37 COCCCCOc1ccsc1 34a_100000106738_100000755781 [1,0,1,0,0,0|2,0,0]=4 209 B12R1.37 COCCCCOc1ccsc1 7a_100000106738_100000730899 [1,0,1,0,0,0|2,0,0]=4 210 B12R1.37 COCCCCSc1ccsc1 62a_100000730899_100000738268 [1,0,1,0,0,0|2,0,0]=4 211 B12R1.37 COCCCCSc1ccsc1 62a_100000738268_100000730899 [1,0,1,0,0,0|2,0,0]=4 212 B12R1.37 COCCCNCc1ccsc1 207a_100150723488_100000188534 [1,0,1,0,0,0|2,0,0]=4 213 B12R1.37 COCCCNCc1ccsc1 2230a_100000186416_100000740836 [1,0,1,0,0,0|2,0,0]=4 214 B12R1.37 COCCCNCc1ccsc1 270004a_100150723488_100000188534 [1,0,1,0,0,0|2,0,0]=4 215 B12R1.37 COCCCNCc1ccsc1 34a_100000186416_100000740836 [1,0,1,0,0,0|2,0,0]=4 216 B12R1.37 COCCCNCc1ccsc1 34a_100150723488_100011261437 [1,0,1,0,0,0|2,0,0]=4 217 B12R1.37 COCCCOCc1ccsc1 34a_100000740835_100011261437 [1,0,1,0,0,0|2,0,0]=4 218 B12R1.37 COCCCOCc1ccsc1 34a_100011215551_100000740836 [1,0,1,0,0,0|2,0,0]=4 219 B12R1.37 COCCCSCc1ccsc1 62a_100000709357_100011233845 [1,0,1,0,0,0|2,0,0]=4 220 B12R1.37 COCCCSCc1ccsc1 62a_100011261437_100000709357 [1,0,1,0,0,0|2,0,0]=4 221 B12R1.37 COCCNCCc1ccsc1 2230a_100000692642_100011201679 [1,0,1,0,0,0|2,0,0]=4 222 B12R1.37 COCCNCCc1ccsc1 34a_100000692642_100011201679 [1,0,1,0,0,0|2,0,0]=4 223 B12R1.37 COCCOCC[n+]1ccsc1 34a_200000100414_100011201679 [1,0,1,0,0,0|2,0,0]=4 224 B12R1.37 COCCOCCc1ccsc1 34a_100000748821_100011201679 [1,0,1,0,0,0|1,0,0]=3 225 B12R1.37 COCCOCSc1ccsc1 62a_100000231047_100000738268 [1,0,1,0,0,0|2,0,0]=4 226 B12R1.37 COCCOCSc1ccsc1 62a_100000738268_100000231047 [1,0,1,0,0,0|2,0,0]=4 227 B12R1.37 CSCCCNCc1ccsc1 207a_100000749238_100000188534 [1,0,1,0,0,0|2,0,0]=4 228 B12R1.37 CSCCCNCc1ccsc1 2230a_100000749238_100011261437 [1,0,1,0,0,0|2,0,0]=4 229 B12R1.37 CSCCCNCc1ccsc1 270004a_100000749238_100000188534 [1,0,1,0,0,0|2,0,0]=4 230 B12R1.37 CSCCCOCc1ccsc1 34a_100000690336_100011261437 [1,0,1,0,0,0|2,0,0]=4 231 B12R1.37 CSCCCOCc1ccsc1 7a_100000690336_100011261437 [1,0,1,0,0,0|2,0,0]=4 232 B12R1.37 CSCCNCCc1ccsc1 2230a_100000692642_100000751147 [1,0,1,0,0,0|2,0,0]=4 233 B12R1.37 CSCCNCCc1ccsc1 34a_100000692642_100000212216 [1,0,1,0,0,0|2,0,0]=4 234 B12R1.37 CSCCOCC[n+]1ccsc1 34a_200000100414_100000212216 [1,0,1,0,0,0|2,0,0]=4 235 B12R1.37 CSCCOCCc1ccsc1 34a_100000748821_100000212216 [1,0,1,0,0,0|1,0,0]=3 236 B12R1.37 CSCOCCCc1ccsc1 34a_200000699776_100011218213 [1,0,1,0,0,0|1,0,0]=3 237 B12R1.37 FCCCOCCc1ccsc1 34a_100000748821_100011934791 [1,0,1,0,0,0|2,0,0]=4 238 B12R1.37 FCCOCCCc1ccsc1 34a_200000699776_100011217306 [1,0,1,0,0,0|1,0,0]=3 239 B12R1.37 FCCOCCCc1ccsc1 7a_200000699776_100011217306 [1,0,1,0,0,0|1,0,0]=3 240 B12R1.37 N#CCOCCCc1ccsc1 7a_200000699776_100011215382 [1,0,1,0,0,0|0,0,2]=4 241 B12R1.37 NCCCCOCc1ccsc1 34a_100000750430_100011261437 [1,0,1,0,0,0|2,0,0]=4 242 B12R1.37 NCCOCCCc1cccs1 34a_100000210304_100010992444 [1,0,1,0,0,0|2,0,0]=4 243 B12R1.37 NCCOCCCn1cccc1 34a_100000210304_200009814367 [1,0,1,0,0,0|2,0,0]=4 244 B12R1.37 NCCOCCCn1ccnc1 34a_100000210304_100000756272 [1,0,1,0,0,0|2,0,0]=4 245 B12R1.37 O=CCOCCCc1ccsc1 34a_200000699776_200009817547 [1,0,1,0,0,0|1,0,1]=4 246 B12R1.37 O=CCOCCCc1ccsc1 7a_200000699776_200015260668 [1,0,1,0,0,0|1,0,1]=4 247 B12R1.37 OCCCOCCc1ccsc1 34a_100000748821_100000230001 [1,0,1,0,0,0|2,0,0]=4 248 B12R1.37 OCCOCCCc1ccsc1 34a_200000699776_100000211926 [1,0,1,0,0,0|1,0,0]=3 249 B12R1.37 OCCOCCCc1ccsc1 7a_200000699776_100000211926 [1,0,1,0,0,0|1,0,0]=3 250 B12R1.37 OCCOCCOc1ccsc1 34a_100000106738_100000692535 [1,0,1,0,0,0|2,0,0]=4 251 B12R1.37 OCCOCCOc1ccsc1 7a_100000106738_100011215305 [1,0,1,0,0,0|2,0,0]=4 252 B12R1.37 OCCOCCSc1ccsc1 62a_100000738268_100011215305 [1,0,1,0,0,0|2,0,0]=4 253 B12R1.37 OCCOCCSc1ccsc1 62a_100011215305_100000738268 [1,0,1,0,0,0|2,0,0]=4 254 B12R1.36 CCC(NCCF)c1cccs1 2230a_100000743277_100011217306 [1,0,1,0,0,0|2,0,0]=4 255 B12R1.36 CCC(NCCF)c1cccs1 269862a_100000724931_100000211688 [1,0,1,0,0,0|2,0,0]=4 256 B12R1.36 CCC(NCCO)c1cccs1 2230a_100000743277_100000211926 [1,0,1,0,0,0|2,0,0]=4 257 B12R1.36 CCC(NCCO)c1cccs1 269862a_100000210304_100000211688 [1,0,1,0,0,0|2,0,0]=4 258 B12R1.36 CCC(NCOC)c1cccs1 2230a_100000743277_100000766300 [1,0,1,0,0,0|2,0,0]=4 259 B12R1.36 CCC(NCSC)c1cccs1 2230a_100000743277_100011218213 [1,0,1,0,0,0|2,0,0]=4 260 B12R1.36 CCCCC(NC)c1ccco1 269862a_106832991636_200011535251 [1,0,1,0,0,0|1,1,0]=4 261 B12R1.36 CCCCC(NC)c1cccs1 269862a_106832991636_200011267864 [1,0,1,0,0,0|1,0,0]=3 262 B12R1.36 CCCNC(CC)c1ccc[nH]1 269862a_100020643023_200000242565 [1,0,1,0,0,0|2,0,0]=4 263 B12R1.36 CCCNC(CC)c1ccco1 2230a_100015202707_100000210303 [1,0,1,0,0,0|1,1,0]=4 264 B12R1.36 CCCNC(CC)c1ccco1 269862a_100020643023_100000749595 [1,0,1,0,0,0|1,1,0]=4 265 B12R1.36 CCCNC(CC)c1cccs1 2230a_100000743277_100000210303 [1,0,1,0,0,0|1,0,0]=3 266 B12R1.36 CCCNC(CC)c1cccs1 269862a_100020643023_100000211688 [1,0,1,0,0,0|1,0,0]=3 267 B12R1.36 CCCNC(CC)c1nccs1 2230a_103436540099_100000210303 [1,0,1,0,0,0|2,0,0]=4 268 B12R1.36 CCCNC(CC)c1nccs1 269862a_100020643023_100000031915 [1,0,1,0,0,0|2,0,0]=4 269 B12R1.36 CCCNC(CO)c1cccs1 2230a_100102422791_100000210303 [1,0,1,0,0,0|2,0,0]=4 270 B12R1.36 CCCOC(CN)c1ccco1 34a_100000738650_100000210303 [1,0,1,0,0,0|0,1,0]=3 271 B12R1.36 CCCOC(CN)c1ccsc1 34a_100000758718_100000210303 [1,0,1,0,0,0|2,0,0]=4 272 B12R1.36 CSCOC(CN)c1ccco1 34a_100000738650_100011218213 [1,0,1,0,0,0|1,1,0]=4 273 B12R1.36 NCC(OCCF)c1ccco1 34a_100000738650_100011217306 [1,0,1,0,0,0|1,1,0]=4 274 B12R1.36 NCC(OCCO)c1ccco1 34a_100000738650_100000211926 [1,0,1,0,0,0|1,1,0]=4 275 B12R1.293 CCCC(NCC)c1cccs1 2230a_200015187693_100000210202 [1,0,1,0,0,0|2,0,0]=4 276 B12R1.293 CCCC(NCC)c1cccs1 269862a_100015525214_100011218182 [1,0,1,0,0,0|2,0,0]=4 277 B12R1.293 CCCC(NCC)c1cccs1 34a_200015187693_100000210202 [1,0,1,0,0,0|2,0,0]=4 278 B12R1.134 CCCC(NC)c1sccc1C 269862a_106832991636_200011510482 [1,0,1,0,0,0|1,0,0]=3 279 B12R1.320 CCCCc1ccsc1CNC 271570a_100020621405_100000767120 [1,0,1,0,0,0|1,0,0]=3 280 B12R1.320 CCCCc1ccsc1SCC 62a_100000210202_100010071534 [1,0,1,0,0,0|2,0,0]=4 281 B12R1.320 CCCCc1ccsc1SCC 62a_100010071534_100000210202 [1,0,1,0,0,0|2,0,0]=4 282 B12R1.320 CCCCc1sccc1CNC 271570a_100020621405_100009817074 [1,0,1,0,0,0|2,0,0]=4 283 B12R1.320 CCCSc1ccsc1CNC 62a_100000210303_100000767120 [1,0,1,0,0,0|2,0,0]=4 284 B12R1.320 CCCSc1ccsc1CNC 62a_100000767120_100000210303 [1,0,1,0,0,0|2,0,0]=4 285 B12R1.320 CNCc1sccc1SCCF 62a_100000767120_100011217306 [1,0,1,0,0,0|2,0,0]=4 286 B12R1.320 CNCc1sccc1SCCF 62a_100011217306_100000767120 [1,0,1,0,0,0|2,0,0]=4 287 B12R1.320 CNCc1sccc1SCCO 62a_100000211926_100000767120 [1,0,1,0,0,0|1,0,0]=3 288 B12R1.320 CNCc1sccc1SCCO 62a_100000767120_100000211926 [1,0,1,0,0,0|1,0,0]=3 289 B14R1.40 C#CCCCOCCCc1ccsc1 34a_200000699776_100000695029 [0,1,1,0,0,0|1,0,1]=4 290 B14R1.40 C#CCCCOCCCc1ccsc1 7a_200000699776_100011215417 [0,1,1,0,0,0|1,0,1]=4 291 B14R1.40 C=CCCCOCCCc1ccsc1 34a_200000699776_100000757094 [0,1,1,0,0,0|1,0,1]=4 292 B14R1.40 C=CCCCOCCCc1ccsc1 7a_200000699776_100000757094 [0,1,1,0,0,0|1,0,1]=4 293 B14R1.40 C=COCCOCCCc1ccsc1 34a_200000699776_100000039644 [0,1,1,0,0,0|1,0,1]=4 294 B14R1.40 C=COCCOCCCc1ccsc1 7a_200000699776_100000039644 [0,1,1,0,0,0|1,0,1]=4 295 B14R1.40 CC/C=C\COCCCc1ccsc1 34a_200000699776_100103147603 [0,1,1,0,0,0|1,0,1]=4 296 B14R1.40 CC/C=C\COCCCc1ccsc1 7a_200000699776_100103147603 [0,1,1,0,0,0|1,0,1]=4 297 B14R1.40 CCC#CCOCCCc1ccsc1 34a_200000699776_100009813939 [0,1,1,0,0,0|1,0,1]=4 298 B14R1.40 CCC#CCOCCCc1ccsc1 7a_200000699776_100009813939 [0,1,1,0,0,0|1,0,1]=4 299 B14R1.40 CCCCCCCCOc1ccsc1 34a_100000106738_100000210759 [0,1,1,0,0,0|2,0,0]=4 300 B14R1.40 CCCCCCCCOc1ccsc1 7a_100000106738_100000210759 [0,1,1,0,0,0|2,0,0]=4 301 B14R1.40 CCCCCCCCSc1ccsc1 62a_100000210759_100000738268 [0,1,1,0,0,0|2,0,0]=4 302 B14R1.40 CCCCCCCCSc1ccsc1 62a_100000738268_100000210317 [0,1,1,0,0,0|2,0,0]=4 303 B14R1.40 CCCCCCCNCc1ccsc1 207a_100000229938_100000188534 [0,1,1,0,0,0|2,0,0]=4 304 B14R1.40 CCCCCCCNCc1ccsc1 2230a_100000186416_100000210681 [0,1,1,0,0,0|2,0,0]=4 305 B14R1.40 CCCCCCCNCc1ccsc1 2230a_100000229938_100011261437 [0,1,1,0,0,0|2,0,0]=4 306 B14R1.40 CCCCCCCNCc1ccsc1 270004a_100000229938_100000188534 [0,1,1,0,0,0|2,0,0]=4 307 B14R1.40 CCCCCCCNCc1ccsc1 34a_100000186416_100000210614 [0,1,1,0,0,0|2,0,0]=4 308 B14R1.40 CCCCCCCOCc1ccsc1 34a_100000210272_100011261437 [0,1,1,0,0,0|2,0,0]=4 309 B14R1.40 CCCCCCCOCc1ccsc1 34a_100011215551_100000210614 [0,1,1,0,0,0|2,0,0]=4 310 B14R1.40 CCCCCCCOCc1ccsc1 7a_100000210272_100011261437 [0,1,1,0,0,0|2,0,0]=4 311 B14R1.40 CCCCCCCSCc1ccsc1 62a_100000210614_100011233845 [0,1,1,0,0,0|2,0,0]=4 312 B14R1.40 CCCCCCCSCc1ccsc1 62a_100011261437_100000210316 [0,1,1,0,0,0|2,0,0]=4 313 B14R1.40 CCCCCCNCCc1ccsc1 2230a_100000692642_100000210314 [0,1,1,0,0,0|2,0,0]=4 314 B14R1.40 CCCCCCNCCc1ccsc1 34a_100000692642_100000210314 [0,1,1,0,0,0|2,0,0]=4 315 B14R1.40 CCCCCCOCCc1ccsc1 34a_100000748821_100000210314 [0,1,1,0,0,0|2,0,0]=4 316 B14R1.40 CCCCCOCCCc1ccsc1 34a_200000699776_100000718602 [0,1,1,0,0,0|1,0,0]=3 317 B14R1.40 CCCCCOCCCc1ccsc1 7a_200000699776_100000210326 [0,1,1,0,0,0|1,0,0]=3 318 B14R1.40 CCCCOCCNCc1ccoc1 2230a_100015206860_100000743108 [0,1,1,0,0,0|1,1,0]=4 319 B14R1.40 CCCCOCCNCc1ccoc1 34a_100015206860_100000743108 [0,1,1,0,0,0|1,1,0]=4 320 B14R1.40 CCCCOCCNCc1ccsc1 2230a_100000186416_100000743108 [0,1,1,0,0,0|1,0,0]=3 321 B14R1.40 CCCCOCCNCc1ccsc1 34a_100000186416_100000743108 [0,1,1,0,0,0|1,0,0]=3 322 B14R1.40 CCCCOCCNCc1cscn1 2230a_100015185402_100000743108 [0,1,1,0,0,0|2,0,0]=4 323 B14R1.40 CCCCOCCOCc1ccoc1 34a_100011215357_100000743108 [0,1,1,0,0,0|1,1,0]=4 324 B14R1.40 CCCCOCCOCc1ccsc1 34a_100000210238_100011261437 [0,1,1,0,0,0|1,0,0]=3 325 B14R1.40 CCCCOCCOCc1ccsc1 34a_100011215551_100000743108 [0,1,1,0,0,0|1,0,0]=3 326 B14R1.40 CCCCOCCOCc1ccsc1 7a_100000210238_100011261437 [0,1,1,0,0,0|1,0,0]=3 327 B14R1.40 CCCCOCCOCc1cscn1 34a_100000210238_100000205941 [0,1,1,0,0,0|2,0,0]=4 328 B14R1.40 CCCCOCCOCc1cscn1 7a_100000210238_100000205941 [0,1,1,0,0,0|2,0,0]=4 329 B14R1.40 CCCCOCCSCc1ccsc1 62a_100000743108_100011233845 [0,1,1,0,0,0|1,0,0]=3 330 B14R1.40 CCCCOCCSCc1ccsc1 62a_100011261437_100000743108 [0,1,1,0,0,0|1,0,0]=3 331 B14R1.40 CCCCOCCSCc1cscn1 62a_100000205941_100000743108 [0,1,1,0,0,0|2,0,0]=4 332 B14R1.40 CCCCOCCSCc1cscn1 62a_100000743108_100000205941 [0,1,1,0,0,0|2,0,0]=4 333 B14R1.40 CCCCOCNCCc1ccsc1 2230a_100000692642_100011995733 [0,1,1,0,0,0|1,0,0]=3 334 B14R1.40 CCCCOCNCCc1ccsc1 34a_100000692642_100011995733 [0,1,1,0,0,0|1,0,0]=3 335 B14R1.40 CCCCOCOCC[n+]1ccsc1 34a_200000100414_100011995733 [0,1,1,0,0,0|2,0,0]=4 336 B14R1.40 CCCCOCOCCc1ccsc1 34a_100000748821_100011995733 [0,1,1,0,0,0|1,0,0]=3 337 B14R1.40 CCCCSCCNCc1ccsc1 207a_100025743550_100000188534 [0,1,1,0,0,0|1,1,0]=4 338 B14R1.40 CCCCSCCNCc1ccsc1 2230a_100025743550_100011261437 [0,1,1,0,0,0|1,1,0]=4 339 B14R1.40 CCCCSCCNCc1ccsc1 270004a_100025743550_100000188534 [0,1,1,0,0,0|1,1,0]=4 340 B14R1.40 CCCCSCCOCc1ccsc1 34a_200000230436_100011261437 [0,1,1,0,0,0|1,1,0]=4 341 B14R1.40 CCCCSCCOCc1ccsc1 7a_200000230436_100011261437 [0,1,1,0,0,0|1,1,0]=4 342 B14R1.40 CCOCCOCCCc1ccsc1 34a_200000699776_100000210147 [0,1,1,0,0,0|1,0,0]=3 343 B14R1.40 CCOCCOCCCc1ccsc1 7a_200000699776_100011215890 [0,1,1,0,0,0|1,0,0]=3 344 B14R1.40 CCOCCOCCOc1ccsc1 34a_100000106738_100011211534 [0,1,1,0,0,0|2,0,0]=4 345 B14R1.40 CCOCCOCCOc1ccsc1 7a_100000106738_100011211534 [0,1,1,0,0,0|2,0,0]=4 346 B14R1.40 CCOCCOCCSc1ccsc1 62a_100000738268_100011211534 [0,1,1,0,0,0|2,0,0]=4 347 B14R1.40 CCOCCOCCSc1ccsc1 62a_100011211534_100000738268 [0,1,1,0,0,0|2,0,0]=4 348 B14R1.40 CCSCCOCCCc1ccsc1 34a_200000699776_100000757381 [0,1,1,0,0,0|1,0,0]=3 349 B14R1.40 CCSCCOCCCc1ccsc1 7a_200000699776_100000757381 [0,1,1,0,0,0|1,0,0]=3 350 B14R1.40 CNCCCCCOCc1ccsc1 34a_100000722520_100011261437 [0,1,1,0,0,0|1,0,0]=3 351 B14R1.40 CNCCCCCOCc1cscn1 34a_100000722520_100000205941 [0,1,1,0,0,0|2,0,0]=4 352 B14R1.40 CNCCCOCCCc1cccs1 34a_100000213112_100010992444 [0,1,1,0,0,0|2,0,0]=4 353 B14R1.40 CNCCCOCCCn1cccc1 34a_100000213112_200009814367 [0,1,1,0,0,0|2,0,0]=4 354 B14R1.40 CNCCCOCCCn1ccnc1 34a_100000213112_100000756272 [0,1,1,0,0,0|2,0,0]=4 355 B14R1.40 CNCCOCCOCc1c[nH]cn1 34a_100000228057_100000707719 [0,1,1,0,0,0|2,0,0]=4 356 B14R1.40 CNCCOCCOCc1ccn[nH]1 34a_100000228057_100000728653 [0,1,1,0,0,0|2,0,0]=4 357 B14R1.40 CNCCOCCOCc1ccon1 34a_100000228057_100000234950 [0,1,1,0,0,0|1,1,0]=4 358 B14R1.40 CNCCOCCOCc1ccsc1 34a_100000228057_100011261437 [0,1,1,0,0,0|0,0,0]=2 359 B14R1.40 CNCCOCCOCc1cncs1 34a_100000228057_100015185245 [0,1,1,0,0,0|2,0,0]=4 360 B14R1.40 CNCCOCCOCc1cscn1 34a_100000228057_100000205941 [0,1,1,0,0,0|1,0,0]=3 361 B14R1.40 COCCCCCCOc1ccsc1 34a_100000106738_100011998445 [0,1,1,0,0,0|2,0,0]=4 362 B14R1.40 COCCCCCCOc1ccsc1 7a_100000106738_100011998445 [0,1,1,0,0,0|2,0,0]=4 363 B14R1.40 COCCCCCCSc1ccsc1 62a_100000738268_100011998445 [0,1,1,0,0,0|2,0,0]=4 364 B14R1.40 COCCCCCCSc1ccsc1 62a_100011998445_100000738268 [0,1,1,0,0,0|2,0,0]=4 365 B14R1.40 COCCCCCNCc1ccsc1 207a_100000747528_100000188534 [0,1,1,0,0,0|2,0,0]=4 366 B14R1.40 COCCCCCNCc1ccsc1 2230a_100000747528_100011261437 [0,1,1,0,0,0|2,0,0]=4 367 B14R1.40 COCCCCCNCc1ccsc1 270004a_100000747528_100000188534 [0,1,1,0,0,0|2,0,0]=4 368 B14R1.40 COCCCCCNCc1ccsc1 34a_100000747528_100011261437 [0,1,1,0,0,0|2,0,0]=4 369 B14R1.40 COCCCCNCCc1ccsc1 2230a_100000692642_100000730899 [0,1,1,0,0,0|2,0,0]=4 370 B14R1.40 COCCCCNCCc1ccsc1 34a_100000692642_100000755781 [0,1,1,0,0,0|2,0,0]=4 371 B14R1.40 COCCCCOCCc1ccsc1 34a_100000748821_100000755781 [0,1,1,0,0,0|2,0,0]=4 372 B14R1.40 COCCCOCCCc1ccsc1 34a_200000699776_100000740836 [0,1,1,0,0,0|1,0,0]=3 373 B14R1.40 COCCCOCCCc1ccsc1 7a_200000699776_100000740836 [0,1,1,0,0,0|1,0,0]=3 374 B14R1.40 COCCOCCCOc1ccsc1 34a_100000106738_100011216529 [0,1,1,0,0,0|1,0,0]=3 375 B14R1.40 COCCOCCCOc1ccsc1 7a_100000106738_100011216529 [0,1,1,0,0,0|1,0,0]=3 376 B14R1.40 COCCOCCCSc1ccoc1 62a_100011215275_100011216529 [0,1,1,0,0,0|1,1,0]=4 377 B14R1.40 COCCOCCCSc1ccoc1 62a_100011216529_100011215275 [0,1,1,0,0,0|1,1,0]=4 378 B14R1.40 COCCOCCCSc1ccsc1 62a_100000738268_100011216529 [0,1,1,0,0,0|1,0,0]=3 379 B14R1.40 COCCOCCCSc1ccsc1 62a_100011216529_100000738268 [0,1,1,0,0,0|1,0,0]=3 380 B14R1.40 COCCOCCCSc1ccsn1 62a_100009818082_100011216529 [0,1,1,0,0,0|2,0,0]=4 381 B14R1.40 COCCOCCCSc1ccsn1 62a_100011216529_100009818082 [0,1,1,0,0,0|2,0,0]=4 382 B14R1.40 COCCOCCCSc1cnsc1 62a_100009815736_100011216529 [0,1,1,0,0,0|2,0,0]=4 383 B14R1.40 COCCOCCCSc1cnsc1 62a_100011216529_100009815736 [0,1,1,0,0,0|2,0,0]=4 384 B14R1.40 COCCOCCCSc1cscn1 62a_100000751502_100011216529 [0,1,1,0,0,0|2,0,0]=4 385 B14R1.40 COCCOCCCSc1cscn1 62a_100011216529_100000751502 [0,1,1,0,0,0|2,0,0]=4 386 B14R1.40 COCCOCCNCc1ccoc1 207a_100000745349_100011215517 [0,1,1,0,0,0|1,1,0]=4 387 B14R1.40 COCCOCCNCc1ccoc1 2230a_100015206860_100000695917 [0,1,1,0,0,0|1,1,0]=4 388 B14R1.40 COCCOCCNCc1ccoc1 270004a_100000745349_100011215517 [0,1,1,0,0,0|1,1,0]=4 389 B14R1.40 COCCOCCNCc1ccoc1 34a_100015206860_100000695917 [0,1,1,0,0,0|1,1,0]=4 390 B14R1.40 COCCOCCNCc1ccsc1 207a_100000745349_100000188534 [0,1,1,0,0,0|1,0,0]=3 391 B14R1.40 COCCOCCNCc1ccsc1 2230a_100000186416_100000695917 [0,1,1,0,0,0|1,0,0]=3 392 B14R1.40 COCCOCCNCc1ccsc1 2230a_100000745349_100011261437 [0,1,1,0,0,0|1,0,0]=3 393 B14R1.40 COCCOCCNCc1ccsc1 270004a_100000745349_100000188534 [0,1,1,0,0,0|1,0,0]=3 394 B14R1.40 COCCOCCNCc1ccsc1 34a_100000186416_100000695917 [0,1,1,0,0,0|1,0,0]=3 395 B14R1.40 COCCOCCNCc1ccsc1 34a_100000745349_100011261437 [0,1,1,0,0,0|1,0,0]=3 396 B14R1.40 COCCOCCNCc1cscn1 207a_100000745349_100000743575 [0,1,1,0,0,0|2,0,0]=4 397 B14R1.40 COCCOCCNCc1cscn1 2230a_100000745349_100000205941 [0,1,1,0,0,0|2,0,0]=4 398 B14R1.40 COCCOCCNCc1cscn1 2230a_100015185402_100000695917 [0,1,1,0,0,0|2,0,0]=4 399 B14R1.40 COCCOCCNCc1cscn1 270004a_100000745349_100000743575 [0,1,1,0,0,0|2,0,0]=4 400 B14R1.40 COCCOCCNCc1cscn1 34a_100000745349_100000205941 [0,1,1,0,0,0|2,0,0]=4 401 B14R1.40 COCCOCCOCc1ccoc1 34a_100011215357_100000695917 [0,1,1,0,0,0|1,1,0]=4 402 B14R1.40 COCCOCCOCc1ccsc1 34a_100011215163_100011261437 [0,1,1,0,0,0|1,0,0]=3 403 B14R1.40 COCCOCCOCc1ccsc1 34a_100011215551_100000695917 [0,1,1,0,0,0|1,0,0]=3 404 B14R1.40 COCCOCCOCc1ccsc1 7a_100011215163_100011261437 [0,1,1,0,0,0|1,0,0]=3 405 B14R1.40 COCCOCCOCc1cscn1 34a_100011215163_100000205941 [0,1,1,0,0,0|2,0,0]=4 406 B14R1.40 COCCOCCOCc1cscn1 7a_100011215163_100000205941 [0,1,1,0,0,0|2,0,0]=4 407 B14R1.40 COCCOCCSCc1ccsc1 62a_100000695917_100011233845 [0,1,1,0,0,0|1,0,0]=3 408 B14R1.40 COCCOCCSCc1ccsc1 62a_100011261437_100000695917 [0,1,1,0,0,0|1,0,0]=3 409 B14R1.40 COCCOCCSCc1cscn1 62a_100000205941_100000695917 [0,1,1,0,0,0|2,0,0]=4 410 B14R1.40 COCCOCCSCc1cscn1 62a_100000695917_100000205941 [0,1,1,0,0,0|2,0,0]=4 411 B14R1.40 COCCOCNCCc1ccsc1 2230a_100000692642_100000231047 [0,1,1,0,0,0|1,0,0]=3 412 B14R1.40 FCCCCOCCCc1ccsc1 34a_200000699776_100000729493 [0,1,1,0,0,0|1,0,0]=3 413 B14R1.40 FCCCCOCCCc1ccsc1 7a_200000699776_100000729493 [0,1,1,0,0,0|1,0,0]=3 414 B14R1.40 N#CCCCOCCCc1ccsc1 7a_200000699776_100000687738 [0,1,1,0,0,0|1,0,1]=4 415 B14R1.40 O=CCCCOCCCc1ccsc1 7a_200000699776_200011292268 [0,1,1,0,0,0|1,0,1]=4 416 B14R1.40 OCC#CCOCCCc1ccsc1 34a_200000699776_200000047223 [0,1,1,0,0,0|1,0,1]=4 417 B14R1.40 OCC#CCOCCCc1ccsc1 7a_200000699776_200000047223 [0,1,1,0,0,0|1,0,1]=4 418 B14R1.40 OCCCCOCCCc1ccsc1 34a_200000699776_100011216708 [0,1,1,0,0,0|1,0,0]=3 419 B14R1.40 OCCCCOCCCc1ccsc1 7a_200000699776_100000210776 [0,1,1,0,0,0|1,0,0]=3 420 B14R1.92 CCCCOCC(=O)Cc1ccsc1 1458a_100000184062_100011995733 [0,1,1,0,0,0|1,0,1]=4 421 B14R1.92 CCCCOCC(=O)Cc1ccsc1 1458a_100000757543_100011233845 [0,1,1,0,0,0|1,0,1]=4 422 B14R1.92 CCCCOCN(C)Cc1ccsc1 2230a_100020654213_100011995733 [0,1,1,0,0,0|2,0,0]=4 423 B14R1.92 CCCCOCN(C)Cc1ccsc1 269982a_100020654213_100011995733 [0,1,1,0,0,0|2,0,0]=4 424 B14R1.92 COCCOCC(=O)Cc1ccsc1 1458a_100000211095_100011233845 [0,1,1,0,0,0|1,0,1]=4 425 B14R1.92 COCCOCN(C)Cc1ccsc1 2230a_100020654213_100000231047 [0,1,1,0,0,0|2,0,0]=4 426 B14R1.92 COCCOCN(C)Cc1ccsc1 269982a_100020654213_100000231047 [0,1,1,0,0,0|2,0,0]=4 427 B14R1.122 CCCCOCCSc1csc(c1)C 62a_100000743108_100000759034 [0,1,1,0,0,0|2,0,0]=4 428 B14R1.122 CCCCOCCSc1csc(c1)C 62a_100000759034_100000743108 [0,1,1,0,0,0|2,0,0]=4 429 B14R1.122 CCCCOCOCc1csc(c1)Cl 34a_100009863405_100011995733 [0,1,1,0,0,0|2,0,0]=4 430 B14R1.122 COCCOCCSc1csc(c1)C 62a_100000695917_100000759034 [0,1,1,0,0,0|2,0,0]=4 431 B14R1.122 COCCOCCSc1csc(c1)C 62a_100000759034_100000695917 [0,1,1,0,0,0|2,0,0]=4 432 B14R1.169 CCCCOCNC(C)c1ccsc1 2230a_100000748604_100011995733 [0,1,1,0,0,0|2,0,0]=4 433 B14R1.169 CCCCOCOC(C)c1ccsc1 34a_100011350980_100011995733 [0,1,1,0,0,0|2,0,0]=4 434 B14R1.169 COCCOCNC(C)c1ccsc1 2230a_100000748604_100000231047 [0,1,1,0,0,0|2,0,0]=4 435 B14R1.216 CCCCCCCCc1ccsc1O 271570a_203496583355_100010174799 [0,1,1,0,0,0|2,0,0]=4 436 B14R1.216 CCCCOCCSc1ccsc1C 62a_100000684487_100000743108 [0,1,1,0,0,0|2,0,0]=4 437 B14R1.216 CCCCOCCSc1ccsc1C 62a_100000743108_100000684487 [0,1,1,0,0,0|2,0,0]=4 438 B14R1.216 CCCCOCCSc1cscc1Br 62a_100000743108_100010143727 [0,1,1,0,0,0|2,0,0]=4 439 B14R1.216 CCCCOCCSc1cscc1Br 62a_100010143727_100000743108 [0,1,1,0,0,0|2,0,0]=4 440 B14R1.216 CCCCOCCSc1cscc1C 62a_100000743108_100000759966 [0,1,1,0,0,0|2,0,0]=4 441 B14R1.216 CCCCOCCSc1cscc1C 62a_100000759966_100000743108 [0,1,1,0,0,0|2,0,0]=4 442 B14R1.216 CCCCOCNCc1ccsc1Br 2230a_100000727803_100011995733 [0,1,1,0,0,0|2,0,0]=4 443 B14R1.216 CCCCOCNCc1ccsc1Br 34a_100000727803_100011995733 [0,1,1,0,0,0|2,0,0]=4 444 B14R1.216 CCCCOCOCc1ccsc1Br 34a_100009816922_100011995733 [0,1,1,0,0,0|2,0,0]=4 445 B14R1.216 CCCCOCOCc1cscc1Br 34a_100000724555_100011995733 [0,1,1,0,0,0|2,0,0]=4 446 B14R1.216 CCCCOCSCc1ccsc1Br 62a_100009814289_100011995733 [0,1,1,0,0,0|2,0,0]=4 447 B14R1.216 CCCCOCSCc1ccsc1Br 62a_100011995733_100009814289 [0,1,1,0,0,0|2,0,0]=4 448 B14R1.216 CCCCOCSCc1ccsc1Cl 62a_100010167017_100011995733 [0,1,1,0,0,0|2,0,0]=4 449 B14R1.216 CCCCOCSCc1ccsc1Cl 62a_100011995733_100010167017 [0,1,1,0,0,0|2,0,0]=4 450 B14R1.216 COCCOCCSc1ccsc1C 62a_100000684487_100000695917 [0,1,1,0,0,0|2,0,0]=4 451 B14R1.216 COCCOCCSc1ccsc1C 62a_100000695917_100000684487 [0,1,1,0,0,0|2,0,0]=4 452 B14R1.216 COCCOCCSc1cscc1Br 62a_100000695917_100010143727 [0,1,1,0,0,0|2,0,0]=4 453 B14R1.216 COCCOCCSc1cscc1Br 62a_100010143727_100000695917 [0,1,1,0,0,0|2,0,0]=4 454 B14R1.216 COCCOCCSc1cscc1C 62a_100000695917_100000759966 [0,1,1,0,0,0|2,0,0]=4 455 B14R1.216 COCCOCCSc1cscc1C 62a_100000759966_100000695917 [0,1,1,0,0,0|2,0,0]=4 456 B14R1.216 COCCOCNCc1ccsc1Br 2230a_100000727803_100000231047 [0,1,1,0,0,0|2,0,0]=4 457 B14R1.216 COCCOCSCc1ccsc1Br 62a_100000231047_100009814289 [0,1,1,0,0,0|2,0,0]=4 458 B14R1.216 COCCOCSCc1ccsc1Br 62a_100009814289_100000231047 [0,1,1,0,0,0|2,0,0]=4 459 B14R1.216 COCCOCSCc1ccsc1Cl 62a_100000231047_100010167017 [0,1,1,0,0,0|2,0,0]=4 460 B14R1.216 COCCOCSCc1ccsc1Cl 62a_100010167017_100000231047 [0,1,1,0,0,0|2,0,0]=4 461 B14R1.427 C=C(C)CCOCCCc1ccsc1 34a_200000699776_100000730704 [0,1,1,0,0,0|1,0,0]=3 462 B14R1.427 C=C(C)CCOCCCc1ccsc1 7a_200000699776_100000730704 [0,1,1,0,0,0|1,0,0]=3 463 B14R1.427 CC(=CCOCCCc1ccsc1)C 34a_200000699776_100000761012 [0,1,1,0,0,0|1,0,1]=4 464 B14R1.427 CC(=CCOCCCc1ccsc1)C 7a_200000699776_100000761012 [0,1,1,0,0,0|1,0,1]=4 465 B14R1.427 CC(=O)CCOCCCc1ccsc1 7a_200000699776_100000053229 [0,1,1,0,0,0|1,0,0]=3 466 B14R1.427 CC(=O)OCOCCCc1ccsc1 34a_200000699776_100009813279 [0,1,1,0,0,0|2,0,0]=4 467 B14R1.427 CC(C)CCOCCCc1ccsc1 34a_200000699776_100000210312 [0,1,1,0,0,0|1,0,0]=3 468 B14R1.427 CC(C)CCOCCCc1ccsc1 7a_200000699776_100000210626 [0,1,1,0,0,0|1,0,0]=3 469 B14R1.427 CC(C)OCOCCCc1ccsc1 34a_200000699776_100000709892 [0,1,1,0,0,0|2,0,0]=4 470 B14R1.427 CC(O)CCOCCCc1ccsc1 34a_200000699776_100012276601 [0,1,1,0,0,0|1,0,0]=3 471 B14R1.427 CC(O)CCOCCCc1ccsc1 7a_200000699776_100012276601 [0,1,1,0,0,0|1,0,0]=3 472 B14R1.427 CN(C)CCCCNCc1ccsc1 207a_100025707445_100000188534 [0,1,1,0,0,0|2,0,0]=4 473 B14R1.427 CN(C)CCCCSCc1ccsc1 62a_100011261437_100000690147 [0,1,1,0,0,0|2,0,0]=4 474 B14R1.427 CN(C)CCOCCCc1cccs1 7a_100011713143_100000755713 [0,1,1,0,0,0|2,0,0]=4 475 B14R1.427 CN(C)CCOCCCc1ccsc1 7a_200000699776_100000755713 [0,1,1,0,0,0|0,0,0]=2 476 B14R1.427 CN(C)CCOCCCn1cccc1 7a_100000179399_100000755713 [0,1,1,0,0,0|2,0,0]=4 477 B14R1.427 NC(=O)CCOCCCc1ccsc1 34a_200000699776_100000731001 [0,1,1,0,0,0|2,0,0]=4 478 B14R1.427 NC(=O)CCOCCCc1ccsc1 7a_200000699776_100000744528 [0,1,1,0,0,0|2,0,0]=4 479 B14R1.609 CC(CC#N)OCCCc1ccsc1 7a_200000699776_100009813641 [0,1,1,0,0,0|2,0,0]=4 480 B14R1.609 CC(CCO)OCCCc1ccsc1 34a_200000699776_100009893172 [0,1,1,0,0,0|2,0,0]=4 481 B14R1.609 CC(CCO)OCCCc1ccsc1 7a_200000699776_100009893172 [0,1,1,0,0,0|2,0,0]=4 482 B14R1.609 CCCC(C)OCCCc1ccsc1 34a_200000699776_100000766640 [0,1,1,0,0,0|1,0,0]=3 483 B14R1.609 CCCC(C)OCCCc1ccsc1 7a_200000699776_100000766640 [0,1,1,0,0,0|1,0,0]=3 484 B14R1.609 COCC(C)OCCCc1ccsc1 34a_200000699776_100000765312 [0,1,1,0,0,0|1,0,0]=3 485 B14R1.609 COCC(C)OCCCc1ccsc1 7a_200000699776_100000765312 [0,1,1,0,0,0|1,0,0]=3 486 B14R1.730 C=CC(O)COCCCc1ccsc1 34a_200000699776_100000730141 [0,1,1,0,0,0|1,0,1]=4 487 B14R1.730 C=CC(O)COCCCc1ccsc1 7a_200000699776_100000730141 [0,1,1,0,0,0|1,0,1]=4 488 B14R1.730 CCC(=O)COCCCc1ccsc1 7a_200000699776_100000747405 [0,1,1,0,0,0|1,0,1]=4 489 B14R1.730 CCC(C)COCCCc1ccsc1 34a_200000699776_100000748023 [0,1,1,0,0,0|1,0,0]=3 490 B14R1.730 CCC(C)COCCCc1ccsc1 7a_200000699776_100000748023 [0,1,1,0,0,0|1,0,0]=3 491 B14R1.730 CCC(O)COCCCc1ccsc1 34a_200000699776_100011218378 [0,1,1,0,0,0|1,0,0]=3 492 B14R1.730 CCC(O)COCCCc1ccsc1 7a_200000699776_100011218378 [0,1,1,0,0,0|1,0,0]=3 493 B14R1.730 CC[C@H](C)COCCCc1ccsc1 34a_200000699776_100009816398 [0,1,1,0,0,0|1,0,0]=3 494 B14R1.730 CC[C@H](C)COCCCc1ccsc1 7a_200000699776_100009816398 [0,1,1,0,0,0|1,0,0]=3 495 B14R1.730 CNC(=O)COCCCc1ccsc1 34a_200000699776_100000183359 [0,1,1,0,0,0|0,0,1]=3 496 B14R1.730 CNC(=O)COCCCc1ccsc1 7a_200000699776_100000183359 [0,1,1,0,0,0|0,0,1]=3 497 B14R1.730 COC(=O)COCCCc1ccsc1 34a_200000699776_100000747449 [0,1,1,0,0,0|1,0,1]=4 498 B14R1.730 COC(=O)COCCCc1ccsc1 7a_200000699776_100000747449 [0,1,1,0,0,0|1,0,1]=4 499 B14R1.730 C[C@@H](CO)COCCCc1ccsc1 34a_200000699776_100000059175 [0,1,1,0,0,0|2,0,0]=4 500 B14R1.730 C[C@@H](CO)COCCCc1ccsc1 7a_200000699776_100000059175 [0,1,1,0,0,0|2,0,0]=4 501 B14R1.730 OCC(O)COCCCc1ccsc1 34a_200000699776_100011219619 [0,1,1,0,0,0|2,0,0]=4 502 B14R1.730 OCC(O)COCCCc1ccsc1 7a_200000699776_100011219619 [0,1,1,0,0,0|2,0,0]=4 503 B14R1.730 OC[C@H](O)COCCCc1ccsc1 34a_200000699776_100009815848 [0,1,1,0,0,0|2,0,0]=4 504 B14R1.730 OC[C@H](O)COCCCc1ccsc1 7a_200000699776_100009815848 [0,1,1,0,0,0|2,0,0]=4 505 B14R1.730 O[C@@H](CF)COCCCc1ccsc1 34a_200000699776_100015614560 [0,1,1,0,0,0|2,0,0]=4 506 B14R1.730 O[C@@H](CF)COCCCc1ccsc1 7a_200000699776_100015614560 [0,1,1,0,0,0|2,0,0]=4 507 B14R1.170 CCCNC(CCC)c1ccc(s1)C 269862a_100020643023_200011267947 [0,1,1,0,0,0|2,0,0]=4 508 B14R1.170 CCCNC(CCC)c1ccc(s1)Cl 269862a_100020643023_200011203525 [0,1,1,0,0,0|2,0,0]=4 509 B14R1.975 CCCC(NCC(C)C)c1cccs1 2230a_200015187693_100000210760 [0,1,1,0,0,0|2,0,0]=4 510 B14R1.975 CCCC(NCC(C)C)c1cccs1 269862a_100000210953_100011218182 [0,1,1,0,0,0|2,0,0]=4 511 B14R1.975 CCCC(NCC(C)C)c1cccs1 270004a_200015187693_100000210432 [0,1,1,0,0,0|2,0,0]=4 512 B14R1.975 CCCC(NCC(C)C)c1cccs1 34a_200015187693_100000210624 [0,1,1,0,0,0|2,0,0]=4 513 B14R1.975 CCCC(NCC(C)O)c1cccs1 2230a_200015187693_100011218427 [0,1,1,0,0,0|2,0,0]=4 514 B14R1.975 CCCC(NCC(C)O)c1cccs1 269862a_100000210904_100011218182 [0,1,1,0,0,0|2,0,0]=4 515 B14R1.975 CCCC(NCC(C)O)c1cccs1 34a_200015187693_100011218427 [0,1,1,0,0,0|2,0,0]=4 516 B14R1.975 CCCC(NC[C@@H](C)O)c1cccs1 2230a_200015187693_100009817552 [0,1,1,0,0,0|2,0,0]=4 517 B14R1.975 CCCC(NC[C@@H](C)O)c1cccs1 34a_200015187693_100009817552 [0,1,1,0,0,0|2,0,0]=4 518 B14R1.1049 CCCC(NCCCF)c1cccs1 2230a_200015187693_100011934791 [0,1,1,0,0,0|2,0,0]=4 519 B14R1.1049 CCCC(NCCCF)c1cccs1 269862a_100015189416_100011218182 [0,1,1,0,0,0|2,0,0]=4 520 B14R1.1049 CCCC(NCCCF)c1cccs1 34a_200015187693_100011934791 [0,1,1,0,0,0|2,0,0]=4 521 B14R1.1049 CCCC(NCCCO)c1cccs1 2230a_200015187693_100000230001 [0,1,1,0,0,0|2,0,0]=4 522 B14R1.1049 CCCC(NCCCO)c1cccs1 269862a_100000182051_100011218182 [0,1,1,0,0,0|2,0,0]=4 523 B14R1.1049 CCCC(NCCCO)c1cccs1 34a_200015187693_100000230001 [0,1,1,0,0,0|2,0,0]=4 524 B14R1.1049 CCCC(NCCOC)c1cccs1 2230a_200015187693_100011201679 [0,1,1,0,0,0|2,0,0]=4 525 B14R1.1049 CCCC(NCCOC)c1cccs1 269862a_100000209980_100011218182 [0,1,1,0,0,0|2,0,0]=4 526 B14R1.1049 CCCC(NCCOC)c1cccs1 34a_200015187693_100011201679 [0,1,1,0,0,0|2,0,0]=4 527 B14R1.1049 CCCC(NCCSC)c1cccs1 2230a_200015187693_100000751147 [0,1,1,0,0,0|2,0,0]=4 528 B14R1.1049 CCCC(NCCSC)c1cccs1 269862a_100020590264_100011218182 [0,1,1,0,0,0|2,0,0]=4 529 B14R1.1049 CCCC(NCCSC)c1cccs1 34a_200015187693_100000212216 [0,1,1,0,0,0|2,0,0]=4 530 B14R1.1049 CCCCNC(CCC)c1cccs1 2230a_200015187693_100000210211 [0,1,1,0,0,0|2,0,0]=4 531 B14R1.1049 CCCCNC(CCC)c1cccs1 269862a_100000102301_100011218182 [0,1,1,0,0,0|2,0,0]=4 532 B14R1.1049 CCCCNC(CCC)c1cccs1 34a_200015187693_100000210210 [0,1,1,0,0,0|2,0,0]=4 533 B14R1.3341 CCCCC(NCCC)c1cccs1 269862a_100020643023_200011267864 [0,1,1,0,0,0|2,0,0]=4 534 B14R1.3574 CCCC(NC(C)CC)c1cccs1 2230a_200015187693_100000758301 [0,1,1,0,0,0|2,0,0]=4 535 B14R1.3574 CCCC(NC(C)CC)c1cccs1 269862a_100000209981_100011218182 [0,1,1,0,0,0|2,0,0]=4 536 B14R1.3574 CCCC(NC(C)CC)c1cccs1 34a_200015187693_100011215416 [0,1,1,0,0,0|2,0,0]=4 537 B14R1.4546 CCCNC(CCC)c1sccc1C 269862a_100020643023_200011510482 [0,1,1,0,0,0|2,0,0]=4 538 B14R1.911 CCCCSc1sccc1CCCC 62a_100000210211_100010071534 [0,1,1,0,0,0|2,0,0]=4 539 B14R1.911 CCCCSc1sccc1CCCC 62a_100010071534_100000210210 [0,1,1,0,0,0|2,0,0]=4 540 B14R1.911 CCCCc1ccsc1SCCOC 62a_100000233755_100010071534 [0,1,1,0,0,0|2,0,0]=4 541 B14R1.911 CCCCc1ccsc1SCCOC 62a_100010071534_100000233755 [0,1,1,0,0,0|2,0,0]=4 542 B14R1.911 CCCCc1ccsc1SCCSC 62a_100000212216_100010071534 [0,1,1,0,0,0|2,0,0]=4 543 B14R1.911 CCCCc1ccsc1SCCSC 62a_100010071534_100000751147 [0,1,1,0,0,0|2,0,0]=4 544 B14R2.892 CCCNC1CCCc2c1occ2 269862a_100020643023_100009877200 [0,1,0,0,1,0|1,1,0]=4 545 B14R2.892 CCNCC1OCCc2c1ccs2 2230a_100025773454_100000210202 [0,1,0,0,1,0|2,0,0]=4 546 B14R2.892 CCNCC1OCCc2c1ccs2 34a_100025773454_100000210202 [0,1,0,0,1,0|2,0,0]=4 547 B14R2.892 FCNCC1OCCc2c1ccs2 34a_100025773454_100015361967 [0,1,0,0,1,0|2,0,0]=4 548 B14R2.101 c1cc(cs1)COC2CCCCO2 34a_100000033831_100011261437 [0,0,1,1,0,0|2,0,0]=4 549 B14R2.101 c1cc(cs1)OCC2CCCCO2 34a_100000106738_100000211543 [0,0,1,1,0,0|2,0,0]=4 550 B14R2.101 c1cc(cs1)OCC2CCCCO2 7a_100000106738_100000211543 [0,0,1,1,0,0|2,0,0]=4 551 B14R2.101 c1cc(cs1)SCC2CCCCO2 62a_100000211543_100000738268 [0,0,1,1,0,0|2,0,0]=4 552 B14R2.101 c1cc(cs1)SCC2CCCCO2 62a_100000738268_100000211543 [0,0,1,1,0,0|2,0,0]=4 553 B14R2.322 c1cc(cs1)COCC2CCNC2 34a_100000748654_100011261437 [0,0,1,1,0,0|2,0,0]=4 554 B14R2.3017 c1cc(cs1)CCCOCC2CC2 34a_200000699776_100000742324 [0,0,1,1,0,0|1,0,0]=3 555 B14R2.3017 c1cc(cs1)CCCOCC2CC2 7a_200000699776_100000742324 [0,0,1,1,0,0|1,0,0]=3 556 B14R2.3017 c1cc(cs1)CCCOCC2CO2 34a_200000699776_102125554688 [0,0,1,1,0,0|1,0,0]=3 557 B14R2.3017 c1cc(cs1)CCCOCC2CO2 7a_200000699776_102125554688 [0,0,1,1,0,0|1,0,0]=3 558 B14R2.3017 c1cc(cs1)CCCOCC2CS2 7a_200000699776_100000031435 [0,0,1,1,0,0|1,0,0]=3 559 B14R2.3017 c1cc(cs1)CCCOC[C@@H]2CO2 7a_200000699776_100000745022 [0,0,1,1,0,0|1,0,0]=3 560 B14R2.9636 CCCCNC1CCc2c1scc2 269862a_100000102301_100000080523 [0,0,1,1,0,0|2,0,0]=4 561 B14R2.9636 COCCNC1CCc2c1scc2 269862a_100000209980_100000080523 [0,0,1,1,0,0|2,0,0]=4 562 B14R2.9636 CSCCNC1CCc2c1scc2 269862a_100020590264_100000080523 [0,0,1,1,0,0|2,0,0]=4 563 B14R2.15067 c1cc(cs1)CCCOC2CCC2 34a_200000699776_100000749161 [0,0,1,1,0,0|1,0,0]=3 564 B14R2.15067 c1cc(cs1)CCCOC2COC2 34a_200000699776_100009818527 [0,0,1,1,0,0|1,0,0]=3 565 B14R2.15067 c1cc(cs1)CCCOC2COC2 7a_200000699776_100009818527 [0,0,1,1,0,0|1,0,0]=3 566 B14R2.830 CCCC(NC1CC1)c2cccs2 34a_200015187693_100000211595 [0,0,1,1,0,0|2,0,0]=4 567 B14R2.4754 CCCNC(c1cccs1)C2CC2 269862a_100020643023_100000742331 [0,0,1,1,0,0|2,0,0]=4 568 B14R2.7150 CNCC1OCCc2c1cccc2 2230a_100000755408_200000210301 [0,0,1,1,0,0|1,0,1]=4 569 B14R2.7150 CNCC1OCCc2c1cccc2 34a_100000755408_200000210301 [0,0,1,1,0,0|1,0,1]=4 570 B14R2.7150 [13CH3]NCC1OCCc2c1cccc2 2230a_100000755408_200025704644 [0,0,1,1,0,0|1,0,1]=4 571 B14R2.7150 [13CH3]NCC1OCCc2c1cccc2 34a_100000755408_200025704644 [0,0,1,1,0,0|1,0,1]=4 572 B12R2.315 CNC1CCCc2c1cco2 269862a_106832991636_100000744050 [1,0,0,0,1,0|2,0,0]=4 573 B12R2.315 CNC1CCCc2c1ccs2 269862a_106832991636_100000024123 [1,0,0,0,1,0|2,0,0]=4 574 B12R2.315 CNC1CCCc2c1occ2 269862a_106832991636_100009877200 [1,0,0,0,1,0|0,1,0]=3 575 B12R2.315 CNC1CCCn2c1ncc2 269862a_106832991636_100009825951 [1,0,0,0,1,0|2,0,0]=4 576 B12R2.315 CNC1CCCn2c1ncc2 270004a_106832991635_100009825951 [1,0,0,0,1,0|2,0,0]=4 577 B12R2.144 CCNC1CCc2c1scc2 269862a_100015525214_100000080523 [0,0,0,0,2,0|2,0,0]=4 578 B14R1.123 CCCCOCCCC1=CCC=CC1 34a_100020667889_100000210210 [0,0,1,0,0,1|2,0,0]=4 579 B14R1.123 CCCCOCCCc1ccccc1 34a_100000210227_100000211621 [0,0,1,0,0,1|2,0,0]=4 580 B14R1.123 CCCCOCCCc1ccccc1 34a_100000210828_100000210210 [0,0,1,0,0,1|2,0,0]=4 581 B14R1.123 CCCCOCCCc1ccccc1 7a_100000210227_100000211621 [0,0,1,0,0,1|2,0,0]=4 582 B14R1.123 CCCCOCCCc1ccccc1 7a_100000210828_100000210211 [0,0,1,0,0,1|2,0,0]=4 583 B14R1.123 CCCCOCCCc1ccccn1 34a_100011215068_100000210210 [0,0,1,0,0,1|2,0,0]=4 584 B14R1.123 CCCCOCCCc1cccnc1 34a_100000211284_100000210210 [0,0,1,0,0,1|2,0,0]=4 585 B14R1.123 CCCCOCCCc1ccncc1 34a_100000210659_100000210210 [0,0,1,0,0,1|2,0,0]=4 586 B14R1.123 CNCCCCCCc1ccccc1 2230a_106832991635_100011218729 [0,0,1,0,0,1|2,0,0]=4 587 B14R1.123 CNCCCCCCc1ccccc1 34a_100102657272_100011218729 [0,0,1,0,0,1|2,0,0]=4 588 B14R1.123 CNCCCCCCc1ccccc1 7a_106832991635_100011218729 [0,0,1,0,0,1|2,0,0]=4 589 B14R1.123 COCCOCCCC1=CCC=CC1 34a_100020667889_100011201679 [0,0,1,0,0,1|2,0,0]=4 590 B14R1.123 COCCOCCCc1ccccc1 34a_100000210237_100000211621 [0,0,1,0,0,1|2,0,0]=4 591 B14R1.123 COCCOCCCc1ccccc1 34a_100000210828_100011201679 [0,0,1,0,0,1|2,0,0]=4 592 B14R1.123 COCCOCCCc1ccccc1 7a_100000210828_100000233755 [0,0,1,0,0,1|2,0,0]=4 593 B14R1.123 COCCOCCCc1ccccn1 34a_100011215068_100011201679 [0,0,1,0,0,1|2,0,0]=4 594 B14R1.123 COCCOCCCc1cccnc1 34a_100000211284_100011201679 [0,0,1,0,0,1|2,0,0]=4 595 B14R1.123 COCCOCCCc1ccncc1 34a_100000210659_100011201679 [0,0,1,0,0,1|2,0,0]=4 596 B14R1.123 CSCCOCCCC1=CCC=CC1 34a_100020667889_100000212216 [0,0,1,0,0,1|2,0,0]=4 597 B14R1.123 CSCCOCCCc1ccccc1 34a_100000210828_100000212216 [0,0,1,0,0,1|2,0,0]=4 598 B14R1.123 CSCCOCCCc1ccccc1 34a_100000230434_100000211621 [0,0,1,0,0,1|2,0,0]=4 599 B14R1.123 CSCCOCCCc1ccccc1 7a_100000210828_100000212216 [0,0,1,0,0,1|2,0,0]=4 600 B14R1.123 CSCCOCCCc1ccccc1 7a_100000230434_100000211621 [0,0,1,0,0,1|2,0,0]=4 601 B14R1.123 CSCCOCCCc1ccccn1 34a_100011215068_100000212216 [0,0,1,0,0,1|2,0,0]=4 602 B14R1.123 CSCCOCCCc1cccnc1 34a_100000211284_100000212216 [0,0,1,0,0,1|2,0,0]=4 603 B14R1.123 CSCCOCCCc1ccncc1 34a_100000210659_100000212216 [0,0,1,0,0,1|2,0,0]=4 604 B14R1.171 CCCOC(CCC)c1ccccc1 34a_100000747916_100000210303 [0,0,1,0,0,1|2,0,0]=4 605 B14R1.171 CCCOC(CCC)c1ccccc1 7a_100000747916_100000210303 [0,0,1,0,0,1|2,0,0]=4 606 B14R1.796 CCCCC(CCC)Sc1cccs1 62a_100000211913_100011215356 [0,0,1,0,0,1|2,0,0]=4 607 B14R1.796 CCCCC(CCC)Sc1cccs1 62a_100011215356_100000211913 [0,0,1,0,0,1|2,0,0]=4 608 B14R1.182 CCCC(CC)Sc1sccc1CC 62a_100011219200_200009875468 [0,0,1,0,0,1|2,0,0]=4 609 B14R1.182 CCCC(CC)Sc1sccc1CC 62a_200009875468_100011219200 [0,0,1,0,0,1|2,0,0]=4 610 B14R1.471 CCOc1cccc(c1)[C@@H](O)CNC 34a_100009815823_100000210202 [0,0,1,0,0,1|2,0,0]=4 611 B14R1.471 CCSc1cccc(c1)C(O)CNC 62a_100000210202_200000733937 [0,0,1,0,0,1|2,0,0]=4 612 B14R1.471 CCSc1cccc(c1)C(O)CNC 62a_200000733937_100000210202 [0,0,1,0,0,1|2,0,0]=4 613 B14R1.471 CNCc1cccc(c1)[C@@H](O)CNC 26a_100102657272_100009815823 [0,0,1,0,0,1|2,0,0]=4 614 B14R1.779 CCCCc1cccc(c1)CCCO 271570a_100020621405_100011709248 [0,0,1,0,0,1|2,0,0]=4 615 B14R1.787 CCCCc1ccccc1CCCO 271570a_100020621405_100000699526 [0,0,1,0,0,1|2,0,0]=4 616 B14R1.504 CCOC(CNC)c1cccc(c1)Br 34a_200000733937_100000210202 [0,0,1,0,0,1|2,0,0]=4 617 B14R1.6865 CCCC(CCC)Sc1sccc1C 62a_100010247149_200011218217 [0,0,1,0,0,1|2,0,0]=4 618 B14R1.6865 CCCC(CCC)Sc1sccc1C 62a_200011218217_100010247149 [0,0,1,0,0,1|2,0,0]=4