0 B5R0.1 C/C=C/C(=O)C Molport-001-786-612 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.1 C/N=C/N(C)C Molport-047-355-420 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.1 C=C(C)CCO Molport-003-926-226 [0,0,0,0,0,0|0,0,4]=4 3 B5R0.1 C=C(C)CNN Molport-000-871-560 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.1 C=COC(=O)C Molport-001-781-486 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.1 CC(=CCBr)C Molport-001-791-956 [0,0,0,0,0,0|1,0,3]=4 6 B5R0.1 CC(=O)CC#N Molport-016-637-915 [0,0,0,0,0,0|2,0,2]=4 7 B5R0.1 CC(=O)CCN Molport-016-899-706 [0,0,0,0,0,0|2,0,2]=4 8 B5R0.1 CC(C)/C=N/O Molport-000-139-603 [0,0,0,0,0,0|1,0,2]=3 9 B5R0.1 CC(C)C=NO Molport-003-909-959 [0,0,0,0,0,0|1,0,2]=3 10 B5R0.1 CC(C)CC=O Molport-001-787-528 [0,0,0,0,0,0|0,0,0]=0 11 B5R0.1 CC(C)CCBr Molport-000-875-341 [0,0,0,0,0,0|1,0,1]=2 12 B5R0.1 CC(C)CCCl Molport-001-783-738 [0,0,0,0,0,0|1,0,1]=2 13 B5R0.1 CC(C)CCI Molport-001-770-162 [0,0,0,0,0,0|1,0,1]=2 14 B5R0.1 CC(C)CCN Molport-003-927-223 [0,0,0,0,0,0|1,0,1]=2 15 B5R0.1 CC(C)CCO Molport-001-793-103 [0,0,0,0,0,0|0,0,2]=2 16 B5R0.1 CC(C)N=C=O Molport-001-732-437 [0,0,0,0,0,0|1,0,1]=2 17 B5R0.1 CC(O)CCO Molport-003-927-418 [0,0,0,0,0,0|1,0,2]=3 18 B5R0.1 CC(O)CNN Molport-006-192-132 [0,0,0,0,0,0|3,0,0]=3 19 B5R0.1 CCCC(=O)C Molport-001-783-786 [0,0,0,0,0,0|2,0,2]=4 20 B5R0.1 CCC[C@H](C)N Molport-039-014-155 [0,0,0,0,0,0|2,0,1]=3 21 B5R0.1 CN(C)CC#N Molport-003-928-186 [0,0,0,0,0,0|2,0,1]=3 22 B5R0.1 CN(C)CCN Molport-001-769-719 [0,0,0,0,0,0|2,0,1]=3 23 B5R0.1 CN(C)NC=O Molport-002-998-013 [0,0,0,0,0,0|2,0,0]=2 24 B5R0.1 CNCC(C)F Molport-042-670-111 [0,0,0,0,0,0|3,0,0]=3 25 B5R0.1 CNCC(C)O Molport-004-285-746 [0,0,0,0,0,0|3,0,0]=3 26 B5R0.1 COCC(C)O Molport-001-793-107 [0,0,0,0,0,0|3,0,0]=3 27 B5R0.1 NCCC(F)F Molport-016-636-195 [0,0,0,0,0,0|3,0,1]=4 28 B4R0.1 C#CC(C)N Molport-009-199-310 [1,0,0,0,0,0|1,0,2]=4 29 B4R0.1 C#CC(C)N Molport-019-997-152 [1,0,0,0,0,0|1,0,2]=4 30 B4R0.1 C#CC(C)O Molport-001-756-893 [1,0,0,0,0,0|1,0,2]=4 31 B4R0.1 C/C(=C\Cl)/Cl Molport-028-615-630 [1,0,0,0,0,0|2,0,1]=4 32 B4R0.1 C=C(C)CCl Molport-000-871-802 [1,0,0,0,0,0|1,0,2]=4 33 B4R0.1 C=CC(=C)C Molport-001-787-102 [1,0,0,0,0,0|0,0,3]=4 34 B4R0.1 C=CC(=O)C Molport-003-927-327 [1,0,0,0,0,0|1,0,2]=4 35 B4R0.1 CC(=O)C=O Molport-001-769-006 [1,0,0,0,0,0|1,0,1]=3 36 B4R0.1 CC(=O)CCl Molport-000-871-814 [1,0,0,0,0,0|2,0,1]=4 37 B4R0.1 CC(=O)C[NH3+] Molport-002-330-020 [1,0,0,0,0,0|2,0,1]=4 38 B4R0.1 CC(C)C#N Molport-001-770-812 [1,0,0,0,0,0|1,0,1]=3 39 B4R0.1 CC(C)C=O Molport-001-787-562 [1,0,0,0,0,0|0,0,0]=1 40 B4R0.1 CC(C)CBr Molport-001-779-904 [1,0,0,0,0,0|1,0,0]=2 41 B4R0.1 CC(C)CN Molport-001-791-754 [1,0,0,0,0,0|1,0,0]=2 42 B4R0.1 CC(C)CO Molport-001-785-833 [1,0,0,0,0,0|0,0,1]=2 43 B4R0.1 CC(C)NN Molport-000-159-466 [1,0,0,0,0,0|2,0,0]=3 44 B4R0.1 CC(C)[Mg]Cl Molport-003-928-093 [1,0,0,0,0,0|2,0,0]=3 45 B4R0.1 CC(Cl)CN Molport-035-831-138 [1,0,0,0,0,0|2,0,0]=3 46 B4R0.1 CC(F)CN Molport-042-670-110 [1,0,0,0,0,0|2,0,0]=3 47 B4R0.1 CC(N)CN Molport-003-926-030 [1,0,0,0,0,0|2,0,0]=3 48 B4R0.1 CC(N)CS Molport-027-713-750 [1,0,0,0,0,0|1,1,0]=3 49 B4R0.1 CC(O)CCl Molport-001-792-062 [1,0,0,0,0,0|2,0,0]=3 50 B4R0.1 CC(O)CO Molport-001-768-866 [1,0,0,0,0,0|1,0,1]=3 51 B4R0.1 CC(S)CN Molport-023-247-163 [1,0,0,0,0,0|2,0,0]=3 52 B4R0.1 CCC(C)Br Molport-001-768-736 [1,0,0,0,0,0|1,0,1]=3 53 B4R0.1 CCC(C)N Molport-001-768-854 [1,0,0,0,0,0|1,0,1]=3 54 B4R0.1 CCC(C)O Molport-001-783-136 [1,0,0,0,0,0|1,0,1]=3 55 B4R0.1 CCN(C)C Molport-003-925-293 [1,0,0,0,0,0|1,0,1]=3 56 B4R0.1 CN(C)C#N Molport-006-113-320 [1,0,0,0,0,0|2,0,1]=4 57 B4R0.1 C[C@H](O)CN Molport-001-794-231 [1,0,0,0,0,0|2,0,0]=3 58 B4R0.1 O=CC(=O)O Molport-001-788-315 [1,0,0,0,0,0|2,0,1]=4 59 B4R0.1 OCC(F)F Molport-000-154-350 [1,0,0,0,0,0|2,0,1]=4 60 B4R0.2 C#CCCN Molport-004-968-587 [1,0,0,0,0,0|2,0,1]=4 61 B4R0.2 C#CCCO Molport-000-152-662 [1,0,0,0,0,0|2,0,1]=4 62 B4R0.2 C/C=C/CO Molport-001-759-965 [1,0,0,0,0,0|2,0,1]=4 63 B4R0.2 C=CCC#N Molport-001-779-791 [1,0,0,0,0,0|2,0,1]=4 64 B4R0.2 C=CCCN Molport-003-937-643 [1,0,0,0,0,0|2,0,0]=3 65 B4R0.2 C=COCC Molport-000-141-310 [1,0,0,0,0,0|2,0,0]=3 66 B4R0.2 CCCC#N Molport-001-770-811 [1,0,0,0,0,0|1,0,1]=3 67 B4R0.2 CCCCBr Molport-000-875-340 [1,0,0,0,0,0|1,0,1]=3 68 B4R0.2 CCCCI Molport-001-768-334 [1,0,0,0,0,0|1,0,1]=3 69 B4R0.2 CCCCN Molport-001-788-476 [1,0,0,0,0,0|1,0,1]=3 70 B4R0.2 CCCNC Molport-001-791-508 [1,0,0,0,0,0|2,0,0]=3 71 B4R0.2 CCCNN Molport-006-701-876 [1,0,0,0,0,0|2,0,0]=3 72 B4R0.2 CCCON Molport-009-195-312 [1,0,0,0,0,0|2,0,0]=3 73 B4R0.2 CCN=C=O Molport-001-732-518 [1,0,0,0,0,0|1,0,1]=3 74 B4R0.2 CCN=C=S Molport-000-872-053 [1,0,0,0,0,0|1,1,1]=4 75 B4R0.2 CCOC=O Molport-001-766-723 [1,0,0,0,0,0|1,0,0]=2 76 B4R0.2 CNCCCl Molport-020-167-804 [1,0,0,0,0,0|2,0,1]=4 77 B4R0.2 CNCCI Molport-006-841-201 [1,0,0,0,0,0|2,0,1]=4 78 B4R0.2 COCC#N Molport-001-768-878 [1,0,0,0,0,0|2,0,1]=4 79 B4R0.2 COCCBr Molport-000-151-998 [1,0,0,0,0,0|2,0,1]=4 80 B4R0.2 COCCN Molport-001-787-261 [1,0,0,0,0,0|2,0,1]=4 81 B4R0.2 COCCO Molport-001-793-100 [1,0,0,0,0,0|1,0,2]=4 82 B4R0.2 COCOC Molport-003-934-233 [1,0,0,0,0,0|3,0,0]=4 83 B4R0.2 COCON Molport-029-823-220 [1,0,0,0,0,0|3,0,0]=4 84 B4R0.2 CSCC#N Molport-003-926-935 [1,0,0,0,0,0|2,0,1]=4 85 B4R0.2 CSCCN Molport-000-144-203 [1,0,0,0,0,0|2,0,1]=4 86 B4R0.2 ClCCCBr Molport-001-783-421 [1,0,0,0,0,0|2,0,1]=4 87 B4R0.2 N#CCCBr Molport-001-790-603 [1,0,0,0,0,0|2,0,1]=4 88 B4R0.2 N#CCCCl Molport-001-787-315 [1,0,0,0,0,0|2,0,1]=4 89 B4R0.2 N#CCCO Molport-001-767-916 [1,0,0,0,0,0|2,0,1]=4 90 B4R0.2 N#CCCS Molport-006-112-773 [1,0,0,0,0,0|2,0,1]=4 91 B4R0.2 NCCCBr Molport-003-925-632 [1,0,0,0,0,0|2,0,1]=4 92 B4R0.2 NCCCCl Molport-001-759-788 [1,0,0,0,0,0|2,0,1]=4 93 B4R0.2 NCCCCl Molport-001-792-701 [1,0,0,0,0,0|2,0,1]=4 94 B4R0.2 NCCCN Molport-000-871-983 [1,0,0,0,0,0|2,0,1]=4 95 B4R0.2 NCCCS Molport-019-922-324 [1,0,0,0,0,0|1,1,1]=4 96 B4R0.2 NNCCO Molport-000-003-956 [1,0,0,0,0,0|3,0,0]=4 97 B4R0.2 NOCCO Molport-008-600-593 [1,0,0,0,0,0|3,0,0]=4 98 B4R0.2 O=CCCO Molport-006-114-002 [1,0,0,0,0,0|1,0,0]=2 99 B4R0.2 OCCCCl Molport-001-756-377 [1,0,0,0,0,0|1,0,2]=4 100 B4R0.2 SCCCS Molport-003-939-167 [1,0,0,0,0,0|1,1,1]=4 101 B6R0.1 C=CCC(O)CN Molport-027-633-222 [0,1,0,0,0,0|2,0,0]=3 102 B6R0.1 CCC(C)/C=N/O Molport-013-519-041 [0,1,0,0,0,0|1,0,2]=4 103 B6R0.1 CCC(C)CCN Molport-014-184-525 [0,1,0,0,0,0|1,0,1]=3 104 B6R0.1 CCC(C)N=C=O Molport-001-732-525 [0,1,0,0,0,0|1,0,1]=3 105 B6R0.1 CCNC(C)CO Molport-005-958-905 [0,1,0,0,0,0|2,0,1]=4 106 B6R0.1 CNC(C)CCO Molport-005-958-913 [0,1,0,0,0,0|0,0,2]=3 107 B6R0.1 CNCC(O)CO Molport-002-508-201 [0,1,0,0,0,0|3,0,0]=4 108 B6R0.1 COCC(N)CO Molport-000-001-255 [0,1,0,0,0,0|3,0,0]=4 109 B6R0.1 COCC(O)CN Molport-000-001-153 [0,1,0,0,0,0|3,0,0]=4 110 B6R0.2 CC(=CC(=O)Cl)C Molport-001-767-049 [0,1,0,0,0,0|0,0,2]=3 111 B6R0.2 CC(=CC(=O)N)C Molport-002-483-067 [0,1,0,0,0,0|0,0,2]=3 112 B6R0.2 CC(=C[N+](=O)[O-])C Molport-022-470-344 [0,1,0,0,0,0|1,0,2]=4 113 B6R0.2 CC(=O)C=C(C)C Molport-000-872-030 [0,1,0,0,0,0|0,0,2]=3 114 B6R0.2 CC(=O)CC(=O)C Molport-000-871-954 [0,1,0,0,0,0|1,0,1]=3 115 B6R0.2 CC(=O)CC(=O)N Molport-003-925-054 [0,1,0,0,0,0|1,0,1]=3 116 B6R0.2 CC(=O)CC(=O)[O-] Molport-046-683-289 [0,1,0,0,0,0|1,0,1]=3 117 B6R0.2 CC(=O)CC(C)C Molport-001-789-273 [0,1,0,0,0,0|0,0,0]=1 118 B6R0.2 CC(=O)NC(=O)N Molport-005-273-810 [0,1,0,0,0,0|2,0,1]=4 119 B6R0.2 CC(=O)NC(C)C Molport-003-909-835 [0,1,0,0,0,0|1,0,0]=2 120 B6R0.2 CC(=O)OC(C)Cl Molport-039-062-263 [0,1,0,0,0,0|2,0,0]=3 121 B6R0.2 CC(C)CC(=O)Cl Molport-000-871-697 [0,1,0,0,0,0|0,0,0]=1 122 B6R0.2 CC(C)CC(C)N Molport-001-794-244 [0,1,0,0,0,0|1,0,1]=3 123 B6R0.2 CC(C)NC(=O)N Molport-002-463-735 [0,1,0,0,0,0|1,0,0]=2 124 B6R0.2 CC(C)NC(C)C Molport-001-759-225 [0,1,0,0,0,0|2,0,1]=4 125 B6R0.2 CC(C)OC(=S)S Molport-006-149-841 [0,1,0,0,0,0|1,1,0]=3 126 B6R0.2 CC(C)OC(=S)[S-] Molport-002-507-689 [0,1,0,0,0,0|1,1,0]=3 127 B6R0.2 CC(C)SC(=N)N Molport-002-746-800 [0,1,0,0,0,0|2,0,0]=3 128 B6R0.2 CC(C)SC(=N)N Molport-003-937-638 [0,1,0,0,0,0|2,0,0]=3 129 B6R0.2 CC(Cl)CN(C)C Molport-001-783-683 [0,1,0,0,0,0|2,0,1]=4 130 B6R0.2 CC(Cl)OC(=O)Cl Molport-003-928-235 [0,1,0,0,0,0|2,0,0]=3 131 B6R0.2 CC(N)CC(=O)N Molport-039-240-602 [0,1,0,0,0,0|1,0,0]=2 132 B6R0.2 CC(N)CC(F)F Molport-038-949-219 [0,1,0,0,0,0|2,0,1]=4 133 B6R0.2 CN(C)CC(=S)N Molport-002-507-838 [0,1,0,0,0,0|1,1,0]=3 134 B6R0.2 N=C(N)CC(=O)N Molport-000-883-361 [0,1,0,0,0,0|2,0,1]=4 135 B6R0.2 NC(=O)CC(=O)N Molport-000-219-445 [0,1,0,0,0,0|2,0,1]=4 136 B6R0.2 NC(=O)CC(=S)N Molport-000-368-793 [0,1,0,0,0,0|2,0,1]=4 137 B6R0.2 NC(=O)C[N+](=O)[O-] Molport-001-757-881 [0,1,0,0,0,0|3,0,0]=4 138 B6R0.2 NC(=O)C[N+](=O)[O-] Molport-016-582-257 [0,1,0,0,0,0|3,0,0]=4 139 B6R0.3 CC(C)/C(=N/O)/N Molport-000-003-932 [0,1,0,0,0,0|1,0,2]=4 140 B6R0.3 CC(C)C(=O)CN Molport-020-166-220 [0,1,0,0,0,0|1,0,2]=4 141 B6R0.3 CC(C)C(=O)CO Molport-022-912-562 [0,1,0,0,0,0|0,0,3]=4 142 B6R0.3 CC(C)C(N)C#N Molport-016-636-741 [0,1,0,0,0,0|1,0,1]=3 143 B6R0.3 CC(C)C(O)CN Molport-000-001-216 [0,1,0,0,0,0|1,0,1]=3 144 B6R0.3 CC(C)[C@@H](C)CO Molport-027-839-182 [0,1,0,0,0,0|0,0,2]=3 145 B6R0.3 CC(C)[C@H](C)CO Molport-044-550-854 [0,1,0,0,0,0|0,0,2]=3 146 B6R0.3 CC(C)[C@H](N)CO Molport-023-282-273 [0,1,0,0,0,0|0,0,2]=3 147 B6R0.3 CCC(N)C(C)O Molport-022-470-337 [0,1,0,0,0,0|2,0,1]=4 148 B6R0.3 CCC(O)C(C)O Molport-006-128-635 [0,1,0,0,0,0|2,0,1]=4 149 B6R0.3 CNC(=O)C(C)C Molport-008-641-109 [0,1,0,0,0,0|2,0,1]=4 150 B6R0.3 COC(=N)C(C)C Molport-006-666-098 [0,1,0,0,0,0|2,0,1]=4 151 B6R0.3 COC(=O)C(C)C Molport-002-461-935 [0,1,0,0,0,0|2,0,1]=4 152 B6R0.4 C#CCNC(C)C Molport-004-375-922 [0,1,0,0,0,0|1,0,1]=3 153 B6R0.4 C=CCNC(=O)C Molport-006-112-291 [0,1,0,0,0,0|2,0,1]=4 154 B6R0.4 CC(Br)CCC#N Molport-006-121-010 [0,1,0,0,0,0|2,0,1]=4 155 B6R0.4 CC(C)CCCN Molport-004-308-245 [0,1,0,0,0,0|1,0,1]=3 156 B6R0.4 CC(C)CCON Molport-039-209-744 [0,1,0,0,0,0|0,0,2]=3 157 B6R0.4 CC(C)CN=C=O Molport-003-748-781 [0,1,0,0,0,0|0,0,1]=2 158 B6R0.4 CC(C)OCCBr Molport-002-465-553 [0,1,0,0,0,0|1,0,1]=3 159 B6R0.4 CC(C)OCCCl Molport-002-508-108 [0,1,0,0,0,0|1,0,1]=3 160 B6R0.4 CC(C)OCCN Molport-001-794-460 [0,1,0,0,0,0|1,0,1]=3 161 B6R0.4 CC(C)OCCO Molport-001-791-402 [0,1,0,0,0,0|0,0,2]=3 162 B6R0.4 CC(C)SCCCl Molport-008-154-301 [0,1,0,0,0,0|1,0,1]=3 163 B6R0.4 CC(N)CCCN Molport-020-866-580 [0,1,0,0,0,0|2,0,1]=4 164 B6R0.4 CCNCC(C)C Molport-005-312-382 [0,1,0,0,0,0|1,0,1]=3 165 B6R0.4 CN(C)CCC#N Molport-001-794-510 [0,1,0,0,0,0|2,0,1]=4 166 B6R0.4 CN(C)CCCN Molport-001-791-758 [0,1,0,0,0,0|2,0,1]=4 167 B6R0.4 CN(C)CCCO Molport-001-768-954 [0,1,0,0,0,0|1,0,2]=4 168 B6R0.4 CN(C)CCNN Molport-006-704-068 [0,1,0,0,0,0|2,0,1]=4 169 B6R0.4 CNCCN(C)C Molport-001-794-238 [0,1,0,0,0,0|2,0,1]=4 170 B6R0.5 C=CCC(C)(C)O Molport-003-910-811 [0,1,0,0,0,0|1,0,0]=2 171 B6R0.5 C=CCS(=O)(=O)C Molport-008-637-730 [0,1,0,0,0,0|3,0,0]=4 172 B6R0.5 CC(C)(C)CCBr Molport-001-793-415 [0,1,0,0,0,0|1,0,1]=3 173 B6R0.5 CC(C)(C)CCCl Molport-001-787-333 [0,1,0,0,0,0|1,0,1]=3 174 B6R0.5 CC(C)(C)N=C=O Molport-001-768-844 [0,1,0,0,0,0|1,0,1]=3 175 B6R0.5 CC(C)(N)CON Molport-022-051-444 [0,1,0,0,0,0|2,0,0]=3 176 B6R0.5 CC(C)(O)CCN Molport-000-001-258 [0,1,0,0,0,0|1,0,1]=3 177 B6R0.5 CNCC(C)(C)C Molport-008-643-550 [0,1,0,0,0,0|2,0,0]=3 178 B6R0.5 CNCC(C)(C)O Molport-008-545-468 [0,1,0,0,0,0|2,0,0]=3 179 B6R0.5 C[N+](C)(C)CCO Molport-044-560-858 [0,1,0,0,0,0|1,0,2]=4 180 B6R0.5 C[N+](C)(N)CCCl Molport-002-740-471 [0,1,0,0,0,0|2,0,1]=4 181 B6R0.5 C[N+](C)(N)CCCl Molport-046-849-015 [0,1,0,0,0,0|2,0,1]=4 182 B6R0.5 C[P+](C)(C)CC#N Molport-029-996-189 [0,1,0,0,0,0|2,0,1]=4 183 B6R0.5 O=CCC(F)(F)F Molport-000-159-226 [0,1,0,0,0,0|2,0,0]=3 184 B6R1.2 BrC1CCCC1 Molport-000-153-781 [0,0,0,1,0,0|2,0,1]=4 185 B6R1.2 CC1CCSC1 Molport-009-681-074 [0,0,0,1,0,0|0,1,1]=3 186 B6R1.2 C[C@H]1CCCN1 Molport-002-501-417 [0,0,0,1,0,0|2,0,1]=4 187 B6R1.2 ClC1CCCC1 Molport-001-759-290 [0,0,0,1,0,0|2,0,1]=4 188 B6R1.2 FC1CCNC1 Molport-016-637-620 [0,0,0,1,0,0|2,0,1]=4 189 B6R1.2 FC1CNOC1 Molport-051-547-803 [0,0,0,1,0,0|2,0,1]=4 190 B6R1.2 NC1CCCC1 Molport-000-871-509 [0,0,0,1,0,0|2,0,1]=4 191 B6R1.2 NC1CCNC1 Molport-002-343-989 [0,0,0,1,0,0|2,0,1]=4 192 B6R1.2 NC1CCOC1 Molport-001-794-861 [0,0,0,1,0,0|1,0,2]=4 193 B6R1.2 NC1CCSC1 Molport-004-305-541 [0,0,0,1,0,0|1,1,1]=4 194 B6R1.2 NC1CSSC1 Molport-002-320-000 [0,0,0,1,0,0|2,1,0]=4 195 B6R1.2 N[C@H]1CCOC1 Molport-005-937-196 [0,0,0,1,0,0|1,0,2]=4 196 B6R1.2 OC1CCCC1 Molport-001-759-288 [0,0,0,1,0,0|2,0,1]=4 197 B6R1.2 OC1CCNC1 Molport-000-156-385 [0,0,0,1,0,0|2,0,1]=4 198 B6R1.2 OC1CCOC1 Molport-000-156-389 [0,0,0,1,0,0|1,0,2]=4 199 B6R1.2 O[C@@H]1CCNC1 Molport-001-768-758 [0,0,0,1,0,0|2,0,1]=4 200 B6R1.2 O[C@@H]1CCSC1 Molport-035-770-278 [0,0,0,1,0,0|1,1,1]=4 201 B6R1.2 O[C@@H]1CNOC1 Molport-028-959-616 [0,0,0,1,0,0|2,0,1]=4 202 B6R1.2 O[C@H]1CCNC1 Molport-000-004-312 [0,0,0,1,0,0|2,0,1]=4 203 B6R1.2 O[C@H]1CNOC1 Molport-028-959-980 [0,0,0,1,0,0|2,0,1]=4 204 B6R1.3 CCNC1CC1 Molport-004-309-107 [0,0,0,1,0,0|2,0,1]=4 205 B6R1.3 COCC1CO1 Molport-003-987-095 [0,0,0,1,0,0|3,0,0]=4 206 B6R1.3 NCCC1CC1 Molport-006-389-889 [0,0,0,1,0,0|1,0,1]=3 207 B6R1.3 NNCC1CC1 Molport-005-311-503 [0,0,0,1,0,0|2,0,0]=3 208 B6R1.3 NOCC1CC1 Molport-006-666-225 [0,0,0,1,0,0|2,0,0]=3 209 B6R1.3 O=C=NC1CC1 Molport-003-748-780 [0,0,0,1,0,0|1,0,1]=3 210 B6R1.3 S=C=NC1CC1 Molport-000-146-889 [0,0,0,1,0,0|1,1,1]=4 211 B6R1.5 C=C1CC(=O)O1 Molport-001-780-180 [0,0,0,1,0,0|1,0,2]=4 212 B6R1.8 CO[C@H]1C[C@H]1N Molport-047-413-065 [0,0,0,1,0,0|3,0,0]=4 213 B6R1.8 N[C@@H]1C[C@H]1CO Molport-035-765-333 [0,0,0,1,0,0|1,0,2]=4 214 B6R1.9 CC1(CC1N)C Molport-016-634-268 [0,0,0,1,0,0|1,0,1]=3 215 B6R1.10 CC1(CCC1)N Molport-000-139-228 [0,0,0,1,0,0|2,0,1]=4 216 B6R1.10 CC1(CNC1)C Molport-044-548-606 [0,0,0,1,0,0|2,0,0]=3 217 B6R1.10 CC1(CNC1)O Molport-009-682-932 [0,0,0,1,0,0|3,0,0]=4 218 B6R1.11 CC(N)C1CC1 Molport-000-929-134 [0,0,0,1,0,0|2,0,1]=4 219 B6R1.11 CC(O)C1CC1 Molport-001-793-739 [0,0,0,1,0,0|2,0,1]=4 220 B6R1.11 C[C@H](N)C1CC1 Molport-038-935-582 [0,0,0,1,0,0|2,0,1]=4 221 B3R0.1 C=CC=O Molport-001-779-683 [2,0,0,0,0,0|0,0,2]=4 222 B3R0.1 C=CCBr Molport-001-779-705 [2,0,0,0,0,0|1,0,1]=4 223 B3R0.1 C=CCCl Molport-001-767-892 [2,0,0,0,0,0|1,0,1]=4 224 B3R0.1 C=CCN Molport-001-779-877 [2,0,0,0,0,0|1,0,1]=4 225 B3R0.1 CCC#N Molport-001-785-582 [2,0,0,0,0,0|1,0,1]=4 226 B3R0.1 CCC=O Molport-001-769-727 [2,0,0,0,0,0|0,0,0]=2 227 B3R0.1 CCCBr Molport-000-872-093 [2,0,0,0,0,0|1,0,0]=3 228 B3R0.1 CCCI Molport-001-768-401 [2,0,0,0,0,0|1,0,0]=3 229 B3R0.1 CCCS Molport-001-782-697 [2,0,0,0,0,0|0,1,0]=3 230 B3R0.1 CCNC Molport-001-787-402 [2,0,0,0,0,0|1,0,1]=4 231 B3R0.1 CNC=O Molport-003-934-095 [2,0,0,0,0,0|1,0,0]=3 232 B3R0.1 COC=O Molport-003-925-521 [2,0,0,0,0,0|1,0,0]=3 233 B3R0.1 ClCCBr Molport-003-927-012 [2,0,0,0,0,0|2,0,0]=4 234 B3R0.1 NCCBr Molport-001-759-150 [2,0,0,0,0,0|2,0,0]=4 235 B3R0.1 NCCBr Molport-036-379-908 [2,0,0,0,0,0|2,0,0]=4 236 B3R0.1 NCCCl Molport-001-756-383 [2,0,0,0,0,0|2,0,0]=4 237 B3R0.1 NCCCl Molport-001-786-398 [2,0,0,0,0,0|2,0,0]=4 238 B3R0.1 NCCN Molport-001-783-384 [2,0,0,0,0,0|2,0,0]=4 239 B3R0.1 O=CC=O Molport-001-780-154 [2,0,0,0,0,0|1,0,1]=4 240 B3R0.1 O=CCCl Molport-001-768-825 [2,0,0,0,0,0|1,0,0]=3 241 B3R0.1 OCCBr Molport-001-779-800 [2,0,0,0,0,0|1,0,1]=4 242 B3R0.1 OCCF Molport-001-771-679 [2,0,0,0,0,0|1,0,1]=4 243 B3R0.1 OCCI Molport-001-789-445 [2,0,0,0,0,0|1,0,1]=4 244 B3R0.1 OCCS Molport-003-938-002 [2,0,0,0,0,0|1,0,1]=4 245 B3R0.1 SCCS Molport-001-781-684 [2,0,0,0,0,0|1,1,0]=4 246 B3R0.1 [O-]CC[O-] Molport-003-899-211 [2,0,0,0,0,0|1,0,1]=4 247 B3R0.2 CC(=O)O Molport-000-871-575 [2,0,0,0,0,0|1,0,1]=4 248 B3R0.2 CC(=O)O Molport-003-925-310 [2,0,0,0,0,0|1,0,1]=4 249 B3R0.2 CC(=O)S Molport-001-781-634 [2,0,0,0,0,0|1,0,1]=4 250 B3R0.2 CC(=O)[O-] Molport-006-169-563 [2,0,0,0,0,0|1,0,1]=4 251 B3R0.2 CC(=O)[O-] Molport-023-223-803 [2,0,0,0,0,0|1,0,1]=4 252 B3R0.2 CC(=O)[O-] Molport-046-852-321 [2,0,0,0,0,0|1,0,1]=4 253 B3R0.2 CC(C)Br Molport-001-779-707 [2,0,0,0,0,0|1,0,0]=3 254 B3R0.2 CC(C)Cl Molport-003-925-224 [2,0,0,0,0,0|1,0,0]=3 255 B3R0.2 CC(C)I Molport-001-768-395 [2,0,0,0,0,0|1,0,0]=3 256 B3R0.2 CC(C)N Molport-001-791-744 [2,0,0,0,0,0|1,0,0]=3 257 B3R0.2 CC(C)N Molport-009-198-777 [2,0,0,0,0,0|1,0,0]=3 258 B3R0.2 CC(C)O Molport-000-871-957 [2,0,0,0,0,0|0,0,1]=3 259 B3R0.2 CC(C)S Molport-003-935-617 [2,0,0,0,0,0|0,1,0]=3 260 B3R0.2 CN(C)N Molport-001-779-938 [2,0,0,0,0,0|2,0,0]=4 261 B3R0.2 CS(=O)C Molport-002-317-295 [2,0,0,0,0,0|1,0,0]=3 262 B3R0.2 C[N+](=O)[O-] Molport-000-871-968 [2,0,0,0,0,0|2,0,0]=4 263 B3R0.2 C[S+](C)C Molport-003-855-330 [2,0,0,0,0,0|1,0,0]=3 264 B3R0.2 [13CH3][13C](=O)[O-] Molport-003-929-150 [2,0,0,0,0,0|1,0,1]=4 265 B5R0.3 BrCC(Br)CBr Molport-001-779-772 [1,1,0,0,0,0|2,0,0]=4 266 B5R0.3 C#CC(C)CN Molport-046-425-880 [1,1,0,0,0,0|0,0,2]=4 267 B5R0.3 C=CC(O)CBr Molport-035-775-534 [1,1,0,0,0,0|1,0,1]=4 268 B5R0.3 C=CC(O)CC Molport-001-792-065 [1,1,0,0,0,0|1,0,1]=4 269 B5R0.3 C=CC(O)CN Molport-000-001-157 [1,1,0,0,0,0|1,0,1]=4 270 B5R0.3 CCC(C)CO Molport-001-783-235 [1,1,0,0,0,0|0,0,1]=3 271 B5R0.3 CCC(N)CC Molport-001-759-279 [1,1,0,0,0,0|1,0,1]=4 272 B5R0.3 CCC(N)CC Molport-004-443-422 [1,1,0,0,0,0|1,0,1]=4 273 B5R0.3 CCC(N)CO Molport-003-925-553 [1,1,0,0,0,0|1,0,1]=4 274 B5R0.3 CC[C@@H](O)CN Molport-000-001-215 [1,1,0,0,0,0|1,0,1]=4 275 B5R0.3 CNC(C)CO Molport-009-200-591 [1,1,0,0,0,0|0,0,1]=3 276 B5R0.3 C[C@@H](CN)CO Molport-023-282-274 [1,1,0,0,0,0|0,0,1]=3 277 B5R0.3 NC(CO)CO Molport-001-768-923 [1,1,0,0,0,0|1,0,1]=4 278 B5R0.3 NCC(O)CF Molport-037-963-032 [1,1,0,0,0,0|2,0,0]=4 279 B5R0.3 O=CC(Br)C=O Molport-000-139-605 [1,1,0,0,0,0|1,0,1]=4 280 B5R0.3 O=C[C@@H](O)CO Molport-003-983-961 [1,1,0,0,0,0|1,0,0]=3 281 B5R0.3 OC(CCl)CCl Molport-001-779-733 [1,1,0,0,0,0|2,0,0]=4 282 B5R0.3 OCC(Cl)CO Molport-006-111-471 [1,1,0,0,0,0|1,0,1]=4 283 B5R0.3 OCC(O)CCl Molport-001-779-558 [1,1,0,0,0,0|1,0,1]=4 284 B5R0.4 C#CC(C)(C)N Molport-001-785-477 [1,1,0,0,0,0|0,0,2]=4 285 B5R0.4 C#CC(C)(C)N Molport-019-995-444 [1,1,0,0,0,0|0,0,2]=4 286 B5R0.4 C#CC(C)(C)O Molport-000-931-514 [1,1,0,0,0,0|0,0,2]=4 287 B5R0.4 C#CC(C)(C)O Molport-002-943-428 [1,1,0,0,0,0|0,0,2]=4 288 B5R0.4 C=CC(C)(C)N Molport-044-563-633 [1,1,0,0,0,0|0,0,1]=3 289 B5R0.4 CC(C)(Br)C#N Molport-022-367-317 [1,1,0,0,0,0|1,0,1]=4 290 B5R0.4 CC(C)(C)C#N Molport-001-769-823 [1,1,0,0,0,0|1,0,1]=4 291 B5R0.4 CC(C)(C)NN Molport-001-766-668 [1,1,0,0,0,0|2,0,0]=4 292 B5R0.4 CC(C)(N)C#N Molport-000-248-761 [1,1,0,0,0,0|1,0,1]=4 293 B5R0.4 CC(C)(N)CN Molport-001-792-136 [1,1,0,0,0,0|1,0,0]=3 294 B5R0.4 CC(C)(O)C#N Molport-000-871-976 [1,1,0,0,0,0|1,0,1]=4 295 B5R0.4 CC(C)(O)CO Molport-001-785-851 [1,1,0,0,0,0|0,0,1]=3 296 B5R0.4 CC(C)(S)CN Molport-018-617-137 [1,1,0,0,0,0|1,0,0]=3 297 B5R0.4 C[Si](C)(C)CCl Molport-000-002-814 [1,1,0,0,0,0|1,1,0]=4 298 B5R0.4 O=CC(Cl)(Cl)Cl Molport-009-653-581 [1,1,0,0,0,0|2,0,0]=4 299 B5R0.5 C=C(C)C(=O)O Molport-003-926-862 [1,1,0,0,0,0|0,0,2]=4 300 B5R0.5 C=C(C)C(=O)[O-] Molport-003-925-121 [1,1,0,0,0,0|0,0,2]=4 301 B5R0.5 CC(=O)C(C)C Molport-001-768-912 [1,1,0,0,0,0|0,0,0]=2 302 B5R0.5 CC(=O)C(C)Cl Molport-001-791-821 [1,1,0,0,0,0|1,0,0]=3 303 B5R0.5 CC(=O)C(C)O Molport-001-785-644 [1,1,0,0,0,0|1,0,0]=3 304 B5R0.5 CC(=O)N(C)N Molport-022-878-797 [1,1,0,0,0,0|2,0,0]=4 305 B5R0.5 CC(=O)[13C](=O)O Molport-047-935-376 [1,1,0,0,0,0|1,0,1]=4 306 B5R0.5 CC(Br)C(=O)O Molport-001-783-816 [1,1,0,0,0,0|1,0,0]=3 307 B5R0.5 CC(C)C(=N)N Molport-002-344-389 [1,1,0,0,0,0|1,0,0]=3 308 B5R0.5 CC(C)C(=O)Cl Molport-001-759-229 [1,1,0,0,0,0|0,0,0]=2 309 B5R0.5 CC(C)C(=O)N Molport-001-780-137 [1,1,0,0,0,0|0,0,0]=2 310 B5R0.5 CC(C)C(=O)O Molport-001-783-185 [1,1,0,0,0,0|0,0,0]=2 311 B5R0.5 CC(C)C(=S)N Molport-003-849-061 [1,1,0,0,0,0|0,1,0]=3 312 B5R0.5 CC(C)[N+](=O)[O-] Molport-001-788-474 [1,1,0,0,0,0|1,0,0]=3 313 B5R0.5 CC(Cl)C(=O)N Molport-003-927-461 [1,1,0,0,0,0|1,0,0]=3 314 B5R0.5 CC(N)C(C)N Molport-019-955-592 [1,1,0,0,0,0|1,0,1]=4 315 B5R0.5 CC(O)C(=O)N Molport-001-551-223 [1,1,0,0,0,0|1,0,0]=3 316 B5R0.5 CC(S)C(=O)O Molport-003-939-593 [1,1,0,0,0,0|1,0,0]=3 317 B5R0.5 CN(C)C(=N)N Molport-000-003-092 [1,1,0,0,0,0|2,0,0]=4 318 B5R0.5 CN(C)C(=O)Cl Molport-000-872-039 [1,1,0,0,0,0|1,0,0]=3 319 B5R0.5 CN(C)C(=O)N Molport-001-781-502 [1,1,0,0,0,0|1,0,0]=3 320 B5R0.5 CN(C)C(=S)Cl Molport-000-146-078 [1,1,0,0,0,0|1,1,0]=4 321 B5R0.5 CN(C)C(=S)N Molport-000-640-749 [1,1,0,0,0,0|1,1,0]=4 322 B5R0.5 CN(C)C(=S)S Molport-006-150-173 [1,1,0,0,0,0|1,1,0]=4 323 B5R0.5 CN(C)C(=S)[S-] Molport-006-328-603 [1,1,0,0,0,0|1,1,0]=4 324 B5R0.5 C[C@H](O)[13C](=O)[O-] Molport-051-692-338 [1,1,0,0,0,0|1,0,0]=3 325 B5R0.5 C[C@H]([15NH2])C(=O)O Molport-042-682-390 [1,1,0,0,0,0|1,0,0]=3 326 B5R0.5 NC(=O)C(Br)Br Molport-001-811-442 [1,1,0,0,0,0|2,0,0]=4 327 B5R0.5 O=C(Cl)C(Cl)Cl Molport-001-768-939 [1,1,0,0,0,0|2,0,0]=4 328 B5R0.5 O=C(O)C(Br)Br Molport-003-928-414 [1,1,0,0,0,0|2,0,0]=4 329 B5R0.5 O=C(O)C(Cl)Cl Molport-001-779-958 [1,1,0,0,0,0|2,0,0]=4 330 B5R0.5 O=C(O)C(F)F Molport-000-154-233 [1,1,0,0,0,0|2,0,0]=4 331 B5R0.5 [13CH3]C(N)C(=O)O Molport-051-767-821 [1,1,0,0,0,0|1,0,0]=3 332 B5R0.5 [13CH3][C@H](N)C(=O)O Molport-003-934-833 [1,1,0,0,0,0|1,0,0]=3 333 B5R0.5 [13CH3][C@H](O)C(=O)[O-] Molport-003-934-622 [1,1,0,0,0,0|1,0,0]=3 334 B5R0.2 BrCCCCBr Molport-000-153-861 [1,1,0,0,0,0|1,0,1]=4 335 B5R0.2 C#CCCNC Molport-046-425-329 [1,1,0,0,0,0|1,0,1]=4 336 B5R0.2 C=CCCCN Molport-006-390-492 [1,1,0,0,0,0|1,0,0]=3 337 B5R0.2 C=CCCCN Molport-027-835-800 [1,1,0,0,0,0|1,0,0]=3 338 B5R0.2 C=CCCNC Molport-044-554-395 [1,1,0,0,0,0|1,0,0]=3 339 B5R0.2 C=CCNCC Molport-000-005-271 [1,1,0,0,0,0|1,0,0]=3 340 B5R0.2 C=CCNCC Molport-016-634-341 [1,1,0,0,0,0|1,0,0]=3 341 B5R0.2 C=CCOC=O Molport-000-005-274 [1,1,0,0,0,0|0,0,2]=4 342 B5R0.2 CC/C=C\CO Molport-000-150-381 [1,1,0,0,0,0|0,0,2]=4 343 B5R0.2 CCCCC=O Molport-001-768-920 [1,1,0,0,0,0|0,0,0]=2 344 B5R0.2 CCCCCBr Molport-001-768-933 [1,1,0,0,0,0|1,0,1]=4 345 B5R0.2 CCCCCC Molport-016-899-216 [1,1,0,0,0,0|1,0,1]=4 346 B5R0.2 CCCCCI Molport-001-783-755 [1,1,0,0,0,0|1,0,1]=4 347 B5R0.2 CCCCCN Molport-001-759-278 [1,1,0,0,0,0|1,0,1]=4 348 B5R0.2 CCCCNC Molport-001-787-403 [1,1,0,0,0,0|1,0,1]=4 349 B5R0.2 CCCN=C=O Molport-001-732-519 [1,1,0,0,0,0|0,0,1]=3 350 B5R0.2 CCNCCCl Molport-039-028-247 [1,1,0,0,0,0|1,0,1]=4 351 B5R0.2 CCNCCO Molport-001-791-880 [1,1,0,0,0,0|0,0,2]=4 352 B5R0.2 CCOCCBr Molport-000-151-989 [1,1,0,0,0,0|1,0,1]=4 353 B5R0.2 CCSCC#N Molport-004-372-802 [1,1,0,0,0,0|1,0,1]=4 354 B5R0.2 CCSCCO Molport-000-155-261 [1,1,0,0,0,0|0,0,2]=4 355 B5R0.2 CNCCC#N Molport-001-791-512 [1,1,0,0,0,0|1,0,1]=4 356 B5R0.2 CNCCCN Molport-000-004-740 [1,1,0,0,0,0|1,0,1]=4 357 B5R0.2 CNCCNC Molport-046-852-851 [1,1,0,0,0,0|2,0,0]=4 358 B5R0.2 CNCCOC Molport-003-993-522 [1,1,0,0,0,0|2,0,0]=4 359 B5R0.2 CNCCSC Molport-011-940-627 [1,1,0,0,0,0|2,0,0]=4 360 B5R0.2 COCCC#N Molport-000-183-599 [1,1,0,0,0,0|1,0,1]=4 361 B5R0.2 COCCCN Molport-001-794-234 [1,1,0,0,0,0|1,0,1]=4 362 B5R0.2 COCCCO Molport-001-756-376 [1,1,0,0,0,0|0,0,2]=4 363 B5R0.2 COCCOC Molport-003-928-695 [1,1,0,0,0,0|2,0,0]=4 364 B5R0.2 COCCON Molport-008-604-171 [1,1,0,0,0,0|2,0,0]=4 365 B5R0.2 COCN=C=O Molport-004-336-498 [1,1,0,0,0,0|1,0,1]=4 366 B5R0.2 N#CCCC=O Molport-001-794-668 [1,1,0,0,0,0|0,0,1]=3 367 B5R0.2 N#CCCCCl Molport-001-757-196 [1,1,0,0,0,0|1,0,1]=4 368 B5R0.2 N#CCCCO Molport-003-918-670 [1,1,0,0,0,0|1,0,1]=4 369 B5R0.2 NCCCCN Molport-001-781-809 [1,1,0,0,0,0|1,0,1]=4 370 B5R0.2 NCCCCS Molport-028-956-912 [1,1,0,0,0,0|0,1,1]=4 371 B5R0.2 O=C=NCCCl Molport-001-732-448 [1,1,0,0,0,0|1,0,1]=4 372 B5R0.2 OCCCCCl Molport-001-757-740 [1,1,0,0,0,0|0,0,2]=4 373 B7R0.2 C#C[C@@H](N)CC(C)C Molport-051-695-351 [0,2,0,0,0,0|1,0,1]=4 374 B7R0.2 CC(=O)NC(C)CO Molport-008-508-252 [0,2,0,0,0,0|1,0,0]=3 375 B7R0.2 CC(C)C/C(=N/O)/N Molport-005-933-122 [0,2,0,0,0,0|0,0,1]=3 376 B7R0.2 CC(C)CC(=O)CN Molport-044-548-646 [0,2,0,0,0,0|0,0,0]=2 377 B7R0.2 CC(C)CC(=O)NN Molport-000-887-172 [0,2,0,0,0,0|0,0,0]=2 378 B7R0.2 CC(C)NC(=O)CBr Molport-002-785-789 [0,2,0,0,0,0|1,0,0]=3 379 B7R0.2 CC(C)NC(=O)CCl Molport-000-679-694 [0,2,0,0,0,0|1,0,0]=3 380 B7R0.2 CC(C)NC(=O)CN Molport-001-770-350 [0,2,0,0,0,0|1,0,0]=3 381 B7R0.2 CC(C)NC(=O)CN Molport-002-029-085 [0,2,0,0,0,0|1,0,0]=3 382 B7R0.2 CC(C)NC(=S)NN Molport-000-156-683 [0,2,0,0,0,0|1,1,0]=4 383 B7R0.2 CC(C)OC(=O)CBr Molport-001-791-822 [0,2,0,0,0,0|1,0,0]=3 384 B7R0.2 CC(C)OC(=O)CN Molport-001-792-794 [0,2,0,0,0,0|1,0,0]=3 385 B7R0.2 CC(CN)CC(=O)O Molport-023-231-681 [0,2,0,0,0,0|0,0,0]=2 386 B7R0.2 CC(O)CC(=O)NN Molport-000-887-337 [0,2,0,0,0,0|1,0,0]=3 387 B7R0.2 CCC(C)NC(=S)N Molport-002-464-555 [0,2,0,0,0,0|1,1,0]=4 388 B7R0.2 CCC(N)CC(=O)O Molport-006-709-500 [0,2,0,0,0,0|1,0,0]=3 389 B7R0.2 CC[C@H](N)CC(=O)O Molport-042-923-473 [0,2,0,0,0,0|1,0,0]=3 390 B7R0.2 CNC(=O)CC(=O)O Molport-006-068-736 [0,2,0,0,0,0|1,0,1]=4 391 B7R0.2 CNC(C)CC(=O)N Molport-008-643-577 [0,2,0,0,0,0|0,0,0]=2 392 B7R0.2 CNC(C)CC(=O)N Molport-027-721-610 [0,2,0,0,0,0|0,0,0]=2 393 B7R0.2 CNC(C)CC(=O)O Molport-009-674-761 [0,2,0,0,0,0|0,0,0]=2 394 B7R0.2 COC(=O)CC(=O)Cl Molport-001-770-615 [0,2,0,0,0,0|1,0,1]=4 395 B7R0.2 NC[C@H](O)CC(=O)O Molport-003-936-295 [0,2,0,0,0,0|1,0,0]=3 396 B7R0.3 C=CCCC(C)CN Molport-021-452-967 [0,2,0,0,0,0|1,0,0]=3 397 B7R0.3 C=CCCC(C)CN Molport-046-425-328 [0,2,0,0,0,0|1,0,0]=3 398 B7R0.3 C=CCCC(N)CC Molport-044-184-648 [0,2,0,0,0,0|2,0,0]=4 399 B7R0.3 CC(CO)NCCO Molport-009-204-662 [0,2,0,0,0,0|0,0,2]=4 400 B7R0.3 CCCNC(C)CO Molport-015-081-622 [0,2,0,0,0,0|1,0,1]=4 401 B7R0.3 CCCOC(C)CN Molport-008-154-264 [0,2,0,0,0,0|1,0,1]=4 402 B7R0.3 COC(=O)CNC=O Molport-003-934-276 [0,2,0,0,0,0|1,0,1]=4 403 B7R0.5 CC(C)C(O)CCN Molport-008-643-583 [0,2,0,0,0,0|1,0,1]=4 404 B7R0.5 CCCC(C)C(C)N Molport-039-129-648 [0,2,0,0,0,0|1,0,1]=4 405 B7R0.7 CCCC(C)NCC Molport-029-997-553 [0,2,0,0,0,0|1,0,1]=4 406 B7R0.7 CCNC(C)CCO Molport-005-958-927 [0,2,0,0,0,0|0,0,2]=4 407 B7R0.7 CCOC(C)CNC Molport-006-710-724 [0,2,0,0,0,0|2,0,0]=4 408 B7R0.11 CC(C)(CO)CC#N Molport-022-364-704 [0,2,0,0,0,0|1,0,1]=4 409 B7R0.11 CNC(C)(C)COC Molport-029-997-602 [0,2,0,0,0,0|2,0,0]=4 410 B7R0.11 CNCC(C)(C)CO Molport-006-068-961 [0,2,0,0,0,0|2,0,0]=4 411 B7R0.11 COC(C)(C)CCN Molport-019-795-956 [0,2,0,0,0,0|1,0,1]=4 412 B7R0.11 COCC(C)(C)C#N Molport-006-394-883 [0,2,0,0,0,0|2,0,0]=4 413 B7R0.11 COCC(C)(C)CN Molport-003-848-611 [0,2,0,0,0,0|2,0,0]=4 414 B7R0.11 COCC(C)(O)CN Molport-012-936-375 [0,2,0,0,0,0|2,0,0]=4 415 B7R0.11 COCC(C)(O)CN Molport-039-030-403 [0,2,0,0,0,0|2,0,0]=4 416 B7R0.12 C#CCC(OC)OC Molport-038-944-163 [0,2,0,0,0,0|1,0,1]=4 417 B7R0.12 CNCC(OC)OC Molport-001-769-786 [0,2,0,0,0,0|2,0,0]=4 418 B7R0.12 [C-]#[N+]CC(OC)OC Molport-000-148-277 [0,2,0,0,0,0|2,0,0]=4 419 B7R0.9 CC(=O)CC(C)(C)N Molport-003-906-257 [0,2,0,0,0,0|0,0,0]=2 420 B7R0.9 CC(=O)CC(C)(C)O Molport-001-779-725 [0,2,0,0,0,0|0,0,0]=2 421 B7R0.9 CC(C)(C)CC(=O)N Molport-006-712-047 [0,2,0,0,0,0|0,0,0]=2 422 B7R0.9 CC(C)(C)CC(=O)O Molport-001-757-233 [0,2,0,0,0,0|0,0,0]=2 423 B7R0.9 CC(C)(C)NC(=O)N Molport-001-781-473 [0,2,0,0,0,0|1,0,0]=3 424 B7R0.9 CC(C)(C)SC(=N)N Molport-020-824-653 [0,2,0,0,0,0|2,0,0]=4 425 B7R0.9 CC(C)(O)C[N+](=O)[O-] Molport-004-901-777 [0,2,0,0,0,0|1,0,0]=3 426 B7R0.9 CC(C)NS(=O)(=O)C Molport-019-066-236 [0,2,0,0,0,0|2,0,0]=4 427 B7R0.9 CC(C)NS(=O)(=O)Cl Molport-005-933-139 [0,2,0,0,0,0|2,0,0]=4 428 B7R0.9 CC(F)(F)CC(=O)O Molport-029-704-543 [0,2,0,0,0,0|1,0,0]=3 429 B7R0.9 CN(C)CC(C)(C)C Molport-001-787-383 [0,2,0,0,0,0|2,0,0]=4 430 B7R0.9 CN(C)CC(C)(C)O Molport-008-545-476 [0,2,0,0,0,0|2,0,0]=4 431 B7R0.9 CS(=O)(=O)CC(=O)O Molport-001-791-785 [0,2,0,0,0,0|2,0,0]=4 432 B7R0.9 C[N+](C)(C)CC(=O)N Molport-000-714-762 [0,2,0,0,0,0|1,0,0]=3 433 B7R0.9 C[N+](C)(C)CC(=O)N Molport-002-508-979 [0,2,0,0,0,0|1,0,0]=3 434 B7R0.16 C=C(C(=O)O)C(C)C Molport-022-878-877 [0,2,0,0,0,0|0,0,1]=3 435 B7R0.16 CC(=O)C(C)C(=O)C Molport-001-787-673 [0,2,0,0,0,0|1,0,1]=4 436 B7R0.16 CC(=O)C(Cl)C(=O)C Molport-001-792-168 [0,2,0,0,0,0|1,0,1]=4 437 B7R0.16 CC(C)C(=O)C(=O)[O-] Molport-003-927-545 [0,2,0,0,0,0|0,0,1]=3 438 B7R0.16 CC(C)C(Br)C(=O)Cl Molport-001-783-060 [0,2,0,0,0,0|0,0,0]=2 439 B7R0.16 CC(C)C(Br)C(=O)O Molport-000-152-206 [0,2,0,0,0,0|0,0,0]=2 440 B7R0.16 CC(C)C(N)C(=O)N Molport-004-342-622 [0,2,0,0,0,0|0,0,0]=2 441 B7R0.16 CC(C)[C@H](N)[13C](=O)O Molport-051-561-857 [0,2,0,0,0,0|0,0,0]=2 442 B7R0.16 CN(C)C(=O)C(=O)O Molport-000-159-499 [0,2,0,0,0,0|1,0,1]=4 443 B7R0.16 [13CH3]C([13CH3])C(=O)C(=O)[O-] Molport-051-987-958 [0,2,0,0,0,0|0,0,1]=3 444 B7R0.14 CC(C)(C)C(N)CN Molport-035-715-949 [0,2,0,0,0,0|1,0,1]=4 445 B7R0.14 CC(C)(C)C(N)CO Molport-011-284-945 [0,2,0,0,0,0|0,0,2]=4 446 B7R0.14 CNC(C)C(C)(C)C Molport-004-291-479 [0,2,0,0,0,0|2,0,0]=4 447 B7R0.14 CNC(C)C(C)(C)C Molport-005-311-835 [0,2,0,0,0,0|2,0,0]=4 448 B7R0.14 C[C@@H](CO)C(C)(C)O Molport-003-984-897 [0,2,0,0,0,0|0,0,2]=4 449 B7R0.15 CNC(CO)C(C)C Molport-012-794-540 [0,2,0,0,0,0|0,0,2]=4 450 B7R0.15 COC(CN)C(C)C Molport-003-991-310 [0,2,0,0,0,0|1,0,1]=4 451 B7R0.4 C=CCNCC(C)C Molport-003-726-538 [0,2,0,0,0,0|1,0,0]=3 452 B7R0.4 C=CCNCC(C)C Molport-009-676-786 [0,2,0,0,0,0|1,0,0]=3 453 B7R0.4 CC(C)CCCCBr Molport-004-947-271 [0,2,0,0,0,0|1,0,1]=4 454 B7R0.4 CC(C)CCCCN Molport-011-183-366 [0,2,0,0,0,0|1,0,1]=4 455 B7R0.4 CC(C)CCN=C=O Molport-003-748-801 [0,2,0,0,0,0|0,0,1]=3 456 B7R0.4 CC(C)NCCCO Molport-002-344-315 [0,2,0,0,0,0|0,0,2]=4 457 B7R0.4 CC(C)NCCCO Molport-029-906-630 [0,2,0,0,0,0|0,0,2]=4 458 B7R0.4 CC(C)OCCCN Molport-001-791-504 [0,2,0,0,0,0|1,0,1]=4 459 B7R0.4 CCCCNC(C)C Molport-004-896-242 [0,2,0,0,0,0|1,0,1]=4 460 B7R0.4 CN(C)CCN=C=O Molport-006-831-181 [0,2,0,0,0,0|1,0,1]=4 461 B7R0.4 CNCCCC(C)C Molport-013-283-622 [0,2,0,0,0,0|1,0,1]=4 462 B7R0.6 CC(=O)/C=C/C(C)C Molport-001-766-078 [0,2,0,0,0,0|0,0,1]=3 463 B7R0.6 CC(=O)/C=C/N(C)C Molport-003-894-797 [0,2,0,0,0,0|1,0,1]=4 464 B7R0.6 CC(=O)CCC(=O)C Molport-000-871-964 [0,2,0,0,0,0|1,0,1]=4 465 B7R0.6 CC(=O)CCN(C)C Molport-002-485-442 [0,2,0,0,0,0|1,0,0]=3 466 B7R0.6 CC(=O)CNC(=O)C Molport-000-005-232 [0,2,0,0,0,0|1,0,1]=4 467 B7R0.6 CC(=O)CSC(C)C Molport-004-770-656 [0,2,0,0,0,0|0,0,0]=2 468 B7R0.6 CC(=O)NN=C(C)C Molport-001-915-443 [0,2,0,0,0,0|1,0,1]=4 469 B7R0.6 CC(C)CNC(=O)N Molport-001-817-450 [0,2,0,0,0,0|0,0,0]=2 470 B7R0.6 CC(C)CNC(C)C Molport-005-312-048 [0,2,0,0,0,0|1,0,1]=4 471 B7R0.6 CC(C)COC(=O)Cl Molport-001-767-556 [0,2,0,0,0,0|0,0,0]=2 472 B7R0.6 CC(C)NCC(=O)O Molport-002-472-582 [0,2,0,0,0,0|0,0,0]=2 473 B7R0.6 CC(C)OCC(=O)O Molport-002-683-574 [0,2,0,0,0,0|0,0,0]=2 474 B7R0.6 CC(C)SCC(=O)O Molport-000-679-256 [0,2,0,0,0,0|0,0,0]=2 475 B7R0.6 CN(C)CCC(=O)O Molport-001-790-337 [0,2,0,0,0,0|1,0,0]=3 476 B7R0.8 CC(C)(C)CCCN Molport-014-088-020 [0,2,0,0,0,0|1,0,1]=4 477 B7R0.8 CC(C)(C)CN=C=O Molport-004-342-224 [0,2,0,0,0,0|0,0,1]=3 478 B7R0.8 CC(C)(C)OCCN Molport-028-960-410 [0,2,0,0,0,0|1,0,1]=4 479 B7R0.8 CC(C)(C)SCCN Molport-001-761-639 [0,2,0,0,0,0|1,0,1]=4 480 B7R0.8 CCNCC(C)(C)C Molport-006-704-658 [0,2,0,0,0,0|1,0,1]=4 481 B7R0.8 CCNCC(C)(C)N Molport-014-596-641 [0,2,0,0,0,0|1,0,1]=4 482 B7R0.8 CCNCC(C)(C)N Molport-046-759-628 [0,2,0,0,0,0|1,0,1]=4 483 B7R0.8 CCOCC(C)(C)N Molport-029-997-583 [0,2,0,0,0,0|1,0,1]=4 484 B7R0.8 CNCCC(C)(C)O Molport-016-631-094 [0,2,0,0,0,0|1,0,1]=4 485 B7R0.8 C[N+](C)(C)C/C=N/O Molport-047-118-023 [0,2,0,0,0,0|1,0,1]=4 486 B5R1.2 BrC1CCC1 Molport-001-790-365 [1,0,0,1,0,0|1,0,1]=4 487 B5R1.2 C[C@H]1CCN1 Molport-046-162-416 [1,0,0,1,0,0|1,0,1]=4 488 B5R1.2 NC1CCC1 Molport-003-926-919 [1,0,0,1,0,0|1,0,1]=4 489 B5R1.2 OC1CNC1 Molport-001-794-113 [1,0,0,1,0,0|2,0,0]=4 490 B5R1.2 OC1COC1 Molport-006-701-036 [1,0,0,1,0,0|1,0,1]=4 491 B5R1.2 OC1CSC1 Molport-006-119-448 [1,0,0,1,0,0|1,1,0]=4 492 B5R1.3 C#CC1CC1 Molport-000-002-503 [1,0,0,1,0,0|0,0,2]=4 493 B5R1.3 ClCC1CC1 Molport-001-791-994 [1,0,0,1,0,0|1,0,0]=3 494 B5R1.3 ClCC1CO1 Molport-001-779-799 [1,0,0,1,0,0|2,0,0]=4 495 B5R1.3 ClCC1CO1 Molport-035-869-714 [1,0,0,1,0,0|2,0,0]=4 496 B5R1.3 ClC[C@H]1CO1 Molport-000-159-810 [1,0,0,1,0,0|2,0,0]=4 497 B5R1.3 FCC1CO1 Molport-000-005-511 [1,0,0,1,0,0|2,0,0]=4 498 B5R1.3 NCC1CC1 Molport-001-760-871 [1,0,0,1,0,0|1,0,0]=3 499 B5R1.3 NCC1CC1 Molport-003-940-243 [1,0,0,1,0,0|1,0,0]=3 500 B5R1.3 O=CC1CC1 Molport-001-791-854 [1,0,0,1,0,0|0,0,0]=2 501 B5R1.3 OCC1CC1 Molport-000-145-901 [1,0,0,1,0,0|0,0,1]=3 502 B5R1.5 CC1(CN1)C Molport-001-781-472 [1,0,0,1,0,0|1,0,0]=3 503 B5R1.5 CC1(CO1)C Molport-000-156-531 [1,0,0,1,0,0|0,0,1]=3 504 B5R1.1 C1=CCCC1 Molport-001-759-289 [1,0,0,1,0,0|1,0,0]=3 505 B5R1.1 C1CCCC1 Molport-001-789-854 [1,0,0,1,0,0|1,0,1]=4 506 B5R1.1 C1CCSC1 Molport-000-158-587 [1,0,0,1,0,0|0,1,1]=4 507 B7R1.1 BrCC1CCCC1 Molport-006-709-634 [0,1,0,1,0,0|1,0,1]=4 508 B7R1.1 CNC1CCOC1 Molport-009-198-044 [0,1,0,1,0,0|0,0,2]=4 509 B7R1.1 CNC1CCSC1 Molport-035-702-374 [0,1,0,1,0,0|0,1,1]=4 510 B7R1.1 CNC1CCSC1 Molport-046-069-764 [0,1,0,1,0,0|0,1,1]=4 511 B7R1.1 CNC1CSSC1 Molport-002-320-001 [0,1,0,1,0,0|1,1,0]=4 512 B7R1.1 CN[C@H]1CCSC1 Molport-053-096-137 [0,1,0,1,0,0|0,1,1]=4 513 B7R1.1 COC1CCCC1 Molport-009-767-822 [0,1,0,1,0,0|1,0,1]=4 514 B7R1.1 COC1CNOC1 Molport-051-547-772 [0,1,0,1,0,0|1,0,1]=4 515 B7R1.1 CSC1CCNC1 Molport-013-582-323 [0,1,0,1,0,0|1,0,1]=4 516 B7R1.1 NCC1CCCC1 Molport-003-732-830 [0,1,0,1,0,0|1,0,1]=4 517 B7R1.1 OCC1CCNC1 Molport-000-006-170 [0,1,0,1,0,0|1,0,1]=4 518 B7R1.2 CC1=NNC(=O)C1 Molport-001-766-520 [0,1,0,1,0,0|1,0,1]=4 519 B7R1.2 CC1CN=C(O1)N Molport-046-415-786 [0,1,0,1,0,0|2,0,0]=4 520 B7R1.2 CC1CNC(=O)O1 Molport-020-173-108 [0,1,0,1,0,0|1,0,0]=3 521 B7R1.2 CC1COC(=O)O1 Molport-003-929-830 [0,1,0,1,0,0|1,0,0]=3 522 B7R1.2 C[C@@H]1CNC(=O)C1 Molport-027-948-657 [0,1,0,1,0,0|0,0,0]=2 523 B7R1.2 C[C@@H]1COC(=O)O1 Molport-001-758-105 [0,1,0,1,0,0|1,0,0]=3 524 B7R1.2 C[C@H]1CNC(=O)O1 Molport-047-786-354 [0,1,0,1,0,0|1,0,0]=3 525 B7R1.2 NC1CNC(=O)C1 Molport-021-874-657 [0,1,0,1,0,0|1,0,0]=3 526 B7R1.2 NC1NC(=O)CS1 Molport-002-791-596 [0,1,0,1,0,0|2,0,0]=4 527 B7R1.2 N[C@H]1CNC(=O)C1 Molport-039-330-473 [0,1,0,1,0,0|1,0,0]=3 528 B7R1.2 O=C1CC(CN1)O Molport-019-904-308 [0,1,0,1,0,0|1,0,0]=3 529 B7R1.2 O=C1CCC(O1)O Molport-035-944-376 [0,1,0,1,0,0|2,0,0]=4 530 B7R1.2 O=C1C[C@@H](CO1)O Molport-001-793-714 [0,1,0,1,0,0|1,0,0]=3 531 B7R1.3 CC1=CCC=CC1 Molport-003-960-199 [0,1,0,1,0,0|1,0,1]=4 532 B7R1.3 CC1CCCCN1 Molport-001-770-275 [0,1,0,1,0,0|1,0,1]=4 533 B7R1.3 CC1CCCCN1 Molport-053-088-428 [0,1,0,1,0,0|1,0,1]=4 534 B7R1.3 CC1CCCNC1 Molport-001-768-820 [0,1,0,1,0,0|1,0,1]=4 535 B7R1.3 CC1CCNCC1 Molport-000-157-467 [0,1,0,1,0,0|1,0,1]=4 536 B7R1.3 CC1CCNCC1 Molport-000-677-243 [0,1,0,1,0,0|1,0,1]=4 537 B7R1.3 CC1CCNCC1 Molport-028-912-924 [0,1,0,1,0,0|1,0,1]=4 538 B7R1.3 CC1CNCCN1 Molport-000-157-455 [0,1,0,1,0,0|1,0,1]=4 539 B7R1.3 CC1CNCCO1 Molport-000-004-943 [0,1,0,1,0,0|1,0,1]=4 540 B7R1.3 CC1COCCN1 Molport-000-004-929 [0,1,0,1,0,0|0,0,2]=4 541 B7R1.3 C[C@@H]1COCCN1 Molport-009-198-949 [0,1,0,1,0,0|0,0,2]=4 542 B7R1.3 C[C@H]1CCCCN1 Molport-027-946-860 [0,1,0,1,0,0|1,0,1]=4 543 B7R1.3 C[C@H]1CNCCN1 Molport-001-769-342 [0,1,0,1,0,0|1,0,1]=4 544 B7R1.3 NC1CC=CCC1 Molport-020-167-280 [0,1,0,1,0,0|2,0,0]=4 545 B7R1.5 CC1CC1N=C=O Molport-004-352-087 [0,1,0,1,0,0|0,0,1]=3 546 B7R1.6 FCCC1CNC1 Molport-046-676-019 [0,1,0,1,0,0|1,0,1]=4 547 B7R1.6 O=C=NC1CCC1 Molport-004-338-929 [0,1,0,1,0,0|1,0,1]=4 548 B7R1.9 CCC1CC1CN Molport-039-240-433 [0,1,0,1,0,0|1,0,1]=4 549 B7R1.9 NCC1C[C@@H]1CO Molport-051-995-332 [0,1,0,1,0,0|0,0,2]=4 550 B7R1.10 C=C1CC(C1)C#N Molport-000-146-234 [0,1,0,1,0,0|1,0,1]=4 551 B7R1.10 CSC1CC(C1)O Molport-044-636-351 [0,1,0,1,0,0|0,0,2]=4 552 B7R1.21 CCCC1(CC1)N Molport-029-997-538 [0,1,0,1,0,0|1,0,1]=4 553 B7R1.22 CC(NN)C1CC1 Molport-016-633-872 [0,1,0,1,0,0|2,0,0]=4 554 B7R1.22 CCC(N)C1CC1 Molport-011-913-977 [0,1,0,1,0,0|1,0,1]=4 555 B7R1.22 N#CC(N)C1CC1 Molport-016-636-733 [0,1,0,1,0,0|1,0,1]=4 556 B7R1.22 NC(CO)C1CC1 Molport-020-166-670 [0,1,0,1,0,0|0,0,2]=4 557 B7R1.25 CC1(CCC1)CBr Molport-026-972-006 [0,1,0,1,0,0|1,0,1]=4 558 B7R1.25 CC1(CCC1)CO Molport-009-199-738 [0,1,0,1,0,0|1,0,1]=4 559 B7R1.25 CC1(COC1)CI Molport-009-196-111 [0,1,0,1,0,0|2,0,0]=4 560 B7R1.25 CC1(COC1)CN Molport-002-678-833 [0,1,0,1,0,0|2,0,0]=4 561 B7R1.25 CC1(COC1)CO Molport-001-791-448 [0,1,0,1,0,0|2,0,0]=4 562 B7R1.25 COC1(CNC1)C Molport-020-393-111 [0,1,0,1,0,0|2,0,0]=4 563 B7R1.27 CC1(CC1Br)CO Molport-004-781-442 [0,1,0,1,0,0|1,0,1]=4 564 B7R1.12 C[C@@H]1C[C@H]1C(=O)O Molport-006-109-402 [0,1,0,1,0,0|0,0,0]=2 565 B7R1.12 C[C@H]1C[C@@H]1C(=O)O Molport-028-948-974 [0,1,0,1,0,0|0,0,0]=2 566 B7R1.12 O=C(O)[C@H]1C[C@H]1F Molport-006-709-707 [0,1,0,1,0,0|1,0,0]=3 567 B7R1.16 CC1(CC(C1)N)C Molport-027-845-131 [0,1,0,1,0,0|1,0,1]=4 568 B7R1.16 CC1(CC(C1)O)C Molport-026-437-420 [0,1,0,1,0,0|0,0,2]=4 569 B7R1.16 O=S1(=O)CC(C1)O Molport-035-675-806 [0,1,0,1,0,0|2,0,0]=4 570 B7R1.20 CN(C)CC1CC1 Molport-046-842-919 [0,1,0,1,0,0|2,0,0]=4 571 B7R1.20 N=C(N)NC1CC1 Molport-001-618-843 [0,1,0,1,0,0|2,0,0]=4 572 B7R1.20 N=C(N)NC1CC1 Molport-006-705-188 [0,1,0,1,0,0|2,0,0]=4 573 B7R1.20 NC(=O)NC1CC1 Molport-001-761-590 [0,1,0,1,0,0|1,0,0]=3 574 B7R1.20 O=C(O)C=C1CC1 Molport-005-939-958 [0,1,0,1,0,0|0,0,2]=4 575 B7R1.20 O=C(O)CC1CC1 Molport-000-153-788 [0,1,0,1,0,0|0,0,0]=2 576 B7R1.20 O=[N+]([O-])CC1CC1 Molport-035-929-591 [0,1,0,1,0,0|1,0,0]=3 577 B7R1.7 CCCNC1CC1 Molport-004-307-330 [0,1,0,1,0,0|1,0,1]=4 578 B7R1.7 O=C=NCC1CC1 Molport-013-117-774 [0,1,0,1,0,0|0,0,1]=3 579 B7R1.7 OCCNC1CC1 Molport-004-322-439 [0,1,0,1,0,0|0,0,2]=4 580 B7R1.14 CC1(CCCN1)C Molport-001-781-707 [0,1,0,1,0,0|1,0,1]=4 581 B7R1.14 CC1(CCNC1)C Molport-006-703-025 [0,1,0,1,0,0|1,0,1]=4 582 B7R2.5 NC12CC(C1)C2 Molport-023-219-510 [0,0,0,2,0,0|1,0,1]=4