0 B22R3.832291 CCCC(Nc1cccc2c1cncn2)c3cccs3 27a_200015187693_100009814520 [1,0,0,0,0,0|3,0,0]=4 1 B22R3.832291 CCCC(Nc1cccc2c1nccn2)c3cccs3 27a_200015187693_100010003881 [1,0,0,0,0,0|3,0,0]=4 2 B22R3.832291 CCCC(Nc1cccc2c1ncnc2)c3cccs3 27a_200015187693_100010246313 [1,0,0,0,0,0|3,0,0]=4 3 B22R3.832291 CCCC(Nc1ccnc2c1cccn2)c3cccs3 27a_200015187693_100000087570 [1,0,0,0,0,0|3,0,0]=4 4 B22R3.832291 CCCC(Nc1ccnc2c1cncc2)c3cccs3 27a_200015187693_100000095135 [1,0,0,0,0,0|3,0,0]=4 5 B22R3.832291 CCCC(Nc1cncc2c1cccn2)c3cccs3 27a_200015187693_100010211308 [1,0,0,0,0,0|3,0,0]=4 6 B22R3.832291 CCCC(Nc1cnnc2c1cccc2)c3cccs3 27a_200015187693_100000063506 [1,0,0,0,0,0|3,0,0]=4 7 B22R3.832291 CCCC(Nc1nccc2c1cccn2)c3cccs3 27a_200015187693_100000077681 [1,0,0,0,0,0|3,0,0]=4 8 B22R3.832291 CCCC(Nc1nccc2c1cncc2)c3cccs3 27a_200015187693_100000116921 [1,0,0,0,0,0|3,0,0]=4 9 B22R3.832291 CCCC(Nc1nccc2c1nccc2)c3cccs3 27a_200015187693_100010063729 [1,0,0,0,0,0|3,0,0]=4 10 B22R3.832291 CCCC(Nc1ncnc2c1cccc2)c3cccs3 27a_200015187693_100000217608 [1,0,0,0,0,0|3,0,0]=4 11 B24R3.40411772 CN(C)CC[C@H](Oc1cccc2c1cccc2)c3cccs3 2230a_100016998221_200000210301 [0,1,0,0,0,0|0,0,0]=1 12 B24R3.40411772 CN(C)CC[C@H](Oc1cccc2c1cccc2)c3cccs3 269982a_100016998221_200000210301 [0,1,0,0,0,0|0,0,0]=1 13 B24R3.40411772 CN([13CH3])CC[C@H](Oc1cccc2c1cccc2)c3cccs3 2230a_100016998221_200025704644 [0,1,0,0,0,0|0,0,0]=1 14 B24R3.40411772 CN([13CH3])CC[C@H](Oc1cccc2c1cccc2)c3cccs3 269982a_100016998221_200025704644 [0,1,0,0,0,0|0,0,0]=1 15 B24R3.2047265 COCCN(Cc1cccs1)Cc2cccc3c2cccc3 2230a_100000195474_100011261445 [0,0,0,0,0,1|3,0,0]=4 16 B24R3.2047265 COCCN(Cc1cccs1)Cc2cccc3c2cccc3 269982a_100000195474_100000188474 [0,0,0,0,0,1|3,0,0]=4 17 B24R3.2047265 COCCN(Cc1cccs1)Cc2cccc3c2cccc3 270004a_100000195474_100000210074 [0,0,0,0,0,1|3,0,0]=4 18 B24R3.2047265 COCCN(Cc1cccs1)Cc2cccc3c2cccc3 270004a_100000265967_100000209959 [0,0,0,0,0,1|3,0,0]=4 19 B21R2.32620 C=Cc1ccccc1C(=O)NC(CCC)c2cccs2 1626a_200015187693_100011830265 [1,0,1,0,0,0|2,0,0]=4 20 B23R3.2707730 CCCC(Nc1cc(=O)[nH]c2c1cccc2)c3cccs3 27a_200015187693_100000075698 [1,1,0,0,0,0|2,0,0]=4 21 B23R3.20471594 CCCC(Nc1ccnc2c1ccc(c2)O)c3cccs3 27a_200015187693_100000045489 [1,1,0,0,0,0|2,0,0]=4 22 B23R3.20471740 CCCC(Nc1ccnc2c1cccc2N)c3cccs3 27a_200015187693_100009892510 [1,1,0,0,0,0|2,0,0]=4 23 B23R3.20471740 CCCC(Nc1ccnc2c1cccc2O)c3cccs3 27a_200015187693_100000703299 [1,1,0,0,0,0|2,0,0]=4 24 B23R3.20471740 CCCC(Nc1nccc2c1cccc2N)c3cccs3 27a_200015187693_100000070072 [1,1,0,0,0,0|2,0,0]=4 25 B23R3.160109446 CCCC(Nc1ccnc2c1c(ccc2)N)c3cccs3 27a_200015187693_100010263589 [1,1,0,0,0,0|2,0,0]=4 26 B23R3.160109773 CCCC(Nc1ccnc2c1cc(cc2)N)c3cccs3 27a_200015187693_100009879071 [1,1,0,0,0,0|2,0,0]=4 27 B23R4.5193 c1csc(c1)C2CCCN2c3cccc4c3cccn4 27a_100000185107_100011290932 [1,0,0,1,0,0|2,0,0]=4 28 B23R4.5193 c1csc(c1)C2CCCN2c3ccnc4c3cccc4 27a_100000185107_100011215880 [1,0,0,1,0,0|2,0,0]=4 29 B23R4.5193 c1csc(c1)C2CCCN2c3nccc4c3cccc4 27a_100000185107_100011934041 [1,0,0,1,0,0|2,0,0]=4 30 B23R3.1900503 CCCC(NCc1cccc2c1cccn2)c3cccs3 207a_200015187693_100000708479 [1,0,0,0,0,1|2,0,0]=4 31 B23R3.1900503 CCCC(NCc1cccc2c1cccn2)c3cccs3 269862a_100020628785_100011218182 [1,0,0,0,0,1|2,0,0]=4 32 B23R3.1900503 CCCC(NCc1cccc2c1cccn2)c3cccs3 270004a_200015187693_100000708479 [1,0,0,0,0,1|2,0,0]=4 33 B23R3.1900503 CCCC(NCc1cccc2c1ccnc2)c3cccs3 207a_200015187693_100000750165 [1,0,0,0,0,1|2,0,0]=4 34 B23R3.1900503 CCCC(NCc1cccc2c1ccnc2)c3cccs3 2230a_200015187693_100016989825 [1,0,0,0,0,1|2,0,0]=4 35 B23R3.1900503 CCCC(NCc1cccc2c1ccnc2)c3cccs3 269862a_100011757365_100011218182 [1,0,0,0,0,1|2,0,0]=4 36 B23R3.1900503 CCCC(NCc1cccc2c1ccnc2)c3cccs3 270004a_200015187693_100000750165 [1,0,0,0,0,1|2,0,0]=4 37 B23R3.1900503 CCCC(NCc1cccc2c1ccnc2)c3cccs3 34a_200015187693_100016989825 [1,0,0,0,0,1|2,0,0]=4 38 B23R3.1900503 CCCC(NCc1cccc2c1cncc2)c3cccs3 207a_200015187693_100011934574 [1,0,0,0,0,1|2,0,0]=4 39 B23R3.1900503 CCCC(NCc1cccc2c1cncc2)c3cccs3 270004a_200015187693_100011934574 [1,0,0,0,0,1|2,0,0]=4 40 B23R3.1900503 CCCC(NCc1cccc2c1nccc2)c3cccs3 207a_200015187693_100000239888 [1,0,0,0,0,1|2,0,0]=4 41 B23R3.1900503 CCCC(NCc1cccc2c1nccc2)c3cccs3 2230a_200015187693_100000241032 [1,0,0,0,0,1|2,0,0]=4 42 B23R3.1900503 CCCC(NCc1cccc2c1nccc2)c3cccs3 269862a_100011195829_100011218182 [1,0,0,0,0,1|2,0,0]=4 43 B23R3.1900503 CCCC(NCc1cccc2c1nccc2)c3cccs3 270004a_200015187693_100000239888 [1,0,0,0,0,1|2,0,0]=4 44 B23R3.1900503 CCCC(NCc1cccc2c1nccc2)c3cccs3 34a_200015187693_100000241032 [1,0,0,0,0,1|2,0,0]=4 45 B23R3.1900503 CCCC(NCc1ccnc2c1cccc2)c3cccs3 2230a_200015187693_100015192512 [1,0,0,0,0,1|2,0,0]=4 46 B23R3.1900503 CCCC(NCc1ccnc2c1cccc2)c3cccs3 269862a_100015187208_100011218182 [1,0,0,0,0,1|2,0,0]=4 47 B23R3.1900503 CCCC(NCc1ccnc2c1cccc2)c3cccs3 34a_200015187693_100015192512 [1,0,0,0,0,1|2,0,0]=4 48 B23R3.1900503 CCCC(NCc1cncc2c1cccc2)c3cccs3 207a_200015187693_100000684730 [1,0,0,0,0,1|2,0,0]=4 49 B23R3.1900503 CCCC(NCc1cncc2c1cccc2)c3cccs3 270004a_200015187693_100000684730 [1,0,0,0,0,1|2,0,0]=4 50 B23R3.1900503 CCCC(NCc1nccc2c1cccc2)c3cccs3 207a_200015187693_100011361464 [1,0,0,0,0,1|2,0,0]=4 51 B23R3.1900503 CCCC(NCc1nccc2c1cccc2)c3cccs3 2230a_200015187693_100000033776 [1,0,0,0,0,1|2,0,0]=4 52 B23R3.1900503 CCCC(NCc1nccc2c1cccc2)c3cccs3 270004a_200015187693_100011361464 [1,0,0,0,0,1|2,0,0]=4 53 B23R3.1900503 CCCC(NCc1nccc2c1cccc2)c3cccs3 34a_200015187693_100000033776 [1,0,0,0,0,1|2,0,0]=4 54 B25R3.2658392 CNCCC(NCc1cccc2c1cccc2)c3ccccc3 269862a_100000753325_100015249630 [0,0,0,0,0,2|2,0,0]=4