0 B3R0.1 C#CCBr Molport-001-757-234 [0,0,0,0,0,0|1,0,2]=3 1 B3R0.1 C#CCN Molport-001-785-530 [0,0,0,0,0,0|1,0,2]=3 2 B3R0.1 C#CCO Molport-001-785-544 [0,0,0,0,0,0|1,0,2]=3 3 B3R0.1 C=CC#N Molport-001-787-951 [0,0,0,0,0,0|1,0,3]=4 4 B3R0.1 C=CC=O Molport-001-779-683 [0,0,0,0,0,0|1,0,3]=4 5 B3R0.1 C=CCBr Molport-001-779-705 [0,0,0,0,0,0|1,0,2]=3 6 B3R0.1 C=CCCl Molport-001-767-892 [0,0,0,0,0,0|1,0,2]=3 7 B3R0.1 C=CCN Molport-001-779-877 [0,0,0,0,0,0|1,0,2]=3 8 B3R0.1 CCC#N Molport-001-785-582 [0,0,0,0,0,0|1,0,1]=2 9 B3R0.1 CCC=O Molport-001-769-727 [0,0,0,0,0,0|1,0,1]=2 10 B3R0.1 CCCBr Molport-000-872-093 [0,0,0,0,0,0|1,0,0]=1 11 B3R0.1 CCCI Molport-001-768-401 [0,0,0,0,0,0|1,0,0]=1 12 B3R0.1 CCCS Molport-001-782-697 [0,0,0,0,0,0|1,0,0]=1 13 B3R0.1 CCNC Molport-001-787-402 [0,0,0,0,0,0|1,0,0]=1 14 B3R0.1 CN=C=S Molport-000-872-008 [0,0,0,0,0,0|2,0,1]=3 15 B3R0.1 CNC=O Molport-003-934-095 [0,0,0,0,0,0|2,0,1]=3 16 B3R0.1 CNOC Molport-002-051-971 [0,0,0,0,0,0|2,0,0]=2 17 B3R0.1 COC=O Molport-003-925-521 [0,0,0,0,0,0|2,0,1]=3 18 B3R0.1 CSSC Molport-003-929-787 [0,0,0,0,0,0|2,0,0]=2 19 B3R0.1 ClCCBr Molport-003-927-012 [0,0,0,0,0,0|2,0,0]=2 20 B3R0.1 N#CCBr Molport-000-151-715 [0,0,0,0,0,0|2,0,1]=3 21 B3R0.1 N#CCCl Molport-000-152-696 [0,0,0,0,0,0|2,0,1]=3 22 B3R0.1 N#CCN Molport-001-793-987 [0,0,0,0,0,0|2,0,1]=3 23 B3R0.1 N#CCN Molport-003-894-737 [0,0,0,0,0,0|2,0,1]=3 24 B3R0.1 N/C=N/O Molport-000-003-765 [0,0,0,0,0,0|3,0,1]=4 25 B3R0.1 NCCBr Molport-001-759-150 [0,0,0,0,0,0|2,0,0]=2 26 B3R0.1 NCCBr Molport-036-379-908 [0,0,0,0,0,0|2,0,0]=2 27 B3R0.1 NCCCl Molport-001-756-383 [0,0,0,0,0,0|2,0,0]=2 28 B3R0.1 NCCCl Molport-001-786-398 [0,0,0,0,0,0|2,0,0]=2 29 B3R0.1 NCCN Molport-001-783-384 [0,0,0,0,0,0|2,0,0]=2 30 B3R0.1 O=CC=O Molport-001-780-154 [0,0,0,0,0,0|2,0,2]=4 31 B3R0.1 O=CCCl Molport-001-768-825 [0,0,0,0,0,0|2,0,1]=3 32 B3R0.1 O=NO[Na] Molport-027-837-995 [0,0,0,0,0,0|4,0,0]=4 33 B3R0.1 OCCBr Molport-001-779-800 [0,0,0,0,0,0|2,0,0]=2 34 B3R0.1 OCCF Molport-001-771-679 [0,0,0,0,0,0|2,0,0]=2 35 B3R0.1 OCCI Molport-001-789-445 [0,0,0,0,0,0|2,0,0]=2 36 B3R0.1 OCCS Molport-003-938-002 [0,0,0,0,0,0|2,0,0]=2 37 B3R0.1 SCCS Molport-001-781-684 [0,0,0,0,0,0|2,0,0]=2 38 B3R0.1 [O-]CC[O-] Molport-003-899-211 [0,0,0,0,0,0|2,0,0]=2 39 B2R0.1 BrCBr Molport-001-779-708 [1,0,0,0,0,0|2,0,0]=3 40 B2R0.1 CC=O Molport-001-783-184 [1,0,0,0,0,0|1,0,1]=3 41 B2R0.1 CCBr Molport-000-872-074 [1,0,0,0,0,0|1,0,0]=2 42 B2R0.1 CCI Molport-001-783-754 [1,0,0,0,0,0|1,0,0]=2 43 B2R0.1 CCN Molport-003-925-271 [1,0,0,0,0,0|1,0,0]=2 44 B2R0.1 CCO Molport-001-785-844 [1,0,0,0,0,0|1,0,0]=2 45 B2R0.1 CNN Molport-003-920-871 [1,0,0,0,0,0|2,0,0]=3 46 B2R0.1 CNO Molport-002-475-845 [1,0,0,0,0,0|2,0,0]=3 47 B2R0.1 CSC Molport-003-926-861 [1,0,0,0,0,0|1,0,0]=2 48 B2R0.1 Cl[Pt+2]Cl Molport-006-167-566 [1,0,0,0,0,0|3,0,0]=4 49 B2R0.1 N#CBr Molport-000-153-709 [1,0,0,0,0,0|2,0,1]=4 50 B2R0.1 O=[13CH][O-] Molport-003-929-092 [1,0,0,0,0,0|2,0,1]=4 51 B2R0.1 O=[Se]=O Molport-001-783-720 [1,0,0,0,0,0|3,0,0]=4 52 B2R0.1 O=[Si]=O Molport-003-927-378 [1,0,0,0,0,0|2,1,0]=4 53 B2R0.1 S=C=S Molport-001-768-563 [1,0,0,0,0,0|2,0,1]=4 54 B2R0.1 [BH3-]C#N Molport-001-768-451 [1,0,0,0,0,0|2,0,1]=4 55 B4R0.1 C#CC(C)N Molport-009-199-310 [0,1,0,0,0,0|0,0,2]=3 56 B4R0.1 C#CC(C)N Molport-019-997-152 [0,1,0,0,0,0|0,0,2]=3 57 B4R0.1 C#CC(C)O Molport-001-756-893 [0,1,0,0,0,0|0,0,2]=3 58 B4R0.1 C/C(=C\Cl)/Cl Molport-028-615-630 [0,1,0,0,0,0|1,0,2]=4 59 B4R0.1 C/C(=N/O)/N Molport-000-003-943 [0,1,0,0,0,0|2,0,1]=4 60 B4R0.1 C=C(C)C#N Molport-003-927-505 [0,1,0,0,0,0|1,0,2]=4 61 B4R0.1 C=C(C)CCl Molport-000-871-802 [0,1,0,0,0,0|1,0,1]=3 62 B4R0.1 C=CC(=C)C Molport-001-787-102 [0,1,0,0,0,0|0,0,3]=4 63 B4R0.1 C=CC(=O)C Molport-003-927-327 [0,1,0,0,0,0|0,0,3]=4 64 B4R0.1 CC(=O)C=O Molport-001-769-006 [0,1,0,0,0,0|1,0,2]=4 65 B4R0.1 CC(=O)CCl Molport-000-871-814 [0,1,0,0,0,0|1,0,1]=3 66 B4R0.1 CC(=O)C[NH3+] Molport-002-330-020 [0,1,0,0,0,0|1,0,1]=3 67 B4R0.1 CC(=O)NBr Molport-001-781-467 [0,1,0,0,0,0|2,0,1]=4 68 B4R0.1 CC(=O)NN Molport-000-882-947 [0,1,0,0,0,0|2,0,1]=4 69 B4R0.1 CC(C)C#N Molport-001-770-812 [0,1,0,0,0,0|1,0,1]=3 70 B4R0.1 CC(C)C=O Molport-001-787-562 [0,1,0,0,0,0|1,0,1]=3 71 B4R0.1 CC(C)CBr Molport-001-779-904 [0,1,0,0,0,0|1,0,0]=2 72 B4R0.1 CC(C)CN Molport-001-791-754 [0,1,0,0,0,0|1,0,0]=2 73 B4R0.1 CC(C)CO Molport-001-785-833 [0,1,0,0,0,0|1,0,0]=2 74 B4R0.1 CC(C)NN Molport-000-159-466 [0,1,0,0,0,0|2,0,0]=3 75 B4R0.1 CC(C)[Mg]Cl Molport-003-928-093 [0,1,0,0,0,0|2,0,0]=3 76 B4R0.1 CC(Cl)CN Molport-035-831-138 [0,1,0,0,0,0|1,0,0]=2 77 B4R0.1 CC(F)CN Molport-042-670-110 [0,1,0,0,0,0|1,0,0]=2 78 B4R0.1 CC(N)CN Molport-003-926-030 [0,1,0,0,0,0|1,0,0]=2 79 B4R0.1 CC(N)CS Molport-027-713-750 [0,1,0,0,0,0|1,0,0]=2 80 B4R0.1 CC(O)CCl Molport-001-792-062 [0,1,0,0,0,0|1,0,0]=2 81 B4R0.1 CC(O)CO Molport-001-768-866 [0,1,0,0,0,0|1,0,0]=2 82 B4R0.1 CC(S)CN Molport-023-247-163 [0,1,0,0,0,0|1,0,0]=2 83 B4R0.1 CCC(=N)N Molport-004-351-237 [0,1,0,0,0,0|1,0,1]=3 84 B4R0.1 CCC(=O)N Molport-003-926-455 [0,1,0,0,0,0|1,0,1]=3 85 B4R0.1 CCC(=O)O Molport-000-871-576 [0,1,0,0,0,0|1,0,1]=3 86 B4R0.1 CCC(C)Br Molport-001-768-736 [0,1,0,0,0,0|0,0,0]=1 87 B4R0.1 CCC(C)N Molport-001-768-854 [0,1,0,0,0,0|0,0,0]=1 88 B4R0.1 CCC(C)O Molport-001-783-136 [0,1,0,0,0,0|0,0,0]=1 89 B4R0.1 CCN(C)C Molport-003-925-293 [0,1,0,0,0,0|1,0,0]=2 90 B4R0.1 CCS(=O)O Molport-038-082-949 [0,1,0,0,0,0|2,0,0]=3 91 B4R0.1 CN(C)C#N Molport-006-113-320 [0,1,0,0,0,0|2,0,1]=4 92 B4R0.1 CNC(=N)N Molport-000-884-799 [0,1,0,0,0,0|2,0,1]=4 93 B4R0.1 CNC(=N)N Molport-005-222-325 [0,1,0,0,0,0|2,0,1]=4 94 B4R0.1 CNC(=O)N Molport-001-783-302 [0,1,0,0,0,0|2,0,1]=4 95 B4R0.1 CNC(=S)N Molport-001-780-247 [0,1,0,0,0,0|2,0,1]=4 96 B4R0.1 COC(=N)N Molport-001-781-758 [0,1,0,0,0,0|2,0,1]=4 97 B4R0.1 COC(=O)Cl Molport-001-791-964 [0,1,0,0,0,0|2,0,1]=4 98 B4R0.1 COC(Cl)Cl Molport-003-930-857 [0,1,0,0,0,0|2,0,0]=3 99 B4R0.1 CSC(=N)N Molport-001-641-058 [0,1,0,0,0,0|2,0,1]=4 100 B4R0.1 C[C@H](O)CN Molport-001-794-231 [0,1,0,0,0,0|1,0,0]=2 101 B4R0.1 NC(=O)CO Molport-001-761-952 [0,1,0,0,0,0|2,0,1]=4 102 B4R0.1 NC(=O)CS Molport-000-144-354 [0,1,0,0,0,0|2,0,1]=4 103 B4R0.1 NCC(=O)O Molport-003-936-530 [0,1,0,0,0,0|2,0,1]=4 104 B4R0.1 NC[13C](=O)O Molport-003-929-093 [0,1,0,0,0,0|2,0,1]=4 105 B4R0.1 N[13CH2][13C](=O)O Molport-003-929-140 [0,1,0,0,0,0|2,0,1]=4 106 B4R0.1 O=C(Br)CBr Molport-000-871-985 [0,1,0,0,0,0|2,0,1]=4 107 B4R0.1 O=C(Cl)CCl Molport-000-872-020 [0,1,0,0,0,0|2,0,1]=4 108 B4R0.1 O=C(O)CBr Molport-001-769-533 [0,1,0,0,0,0|2,0,1]=4 109 B4R0.1 O=C(O)CCl Molport-000-871-803 [0,1,0,0,0,0|2,0,1]=4 110 B4R0.1 O=C(O)CI Molport-002-990-500 [0,1,0,0,0,0|2,0,1]=4 111 B4R0.1 O=C(O)CO Molport-044-193-651 [0,1,0,0,0,0|2,0,1]=4 112 B4R0.1 O=C(O)CS Molport-003-935-930 [0,1,0,0,0,0|2,0,1]=4 113 B4R0.1 OCC(F)F Molport-000-154-350 [0,1,0,0,0,0|2,0,0]=3 114 B4R0.1 [15NH2]CC(=O)O Molport-003-929-547 [0,1,0,0,0,0|2,0,1]=4 115 B4R0.1 [15NH2][13CH2]C(=O)O Molport-003-929-550 [0,1,0,0,0,0|2,0,1]=4 116 B4R0.2 C#CCCN Molport-004-968-587 [0,1,0,0,0,0|0,0,2]=3 117 B4R0.2 C#CCCO Molport-000-152-662 [0,1,0,0,0,0|0,0,2]=3 118 B4R0.2 C/C=C/C#N Molport-001-784-288 [0,1,0,0,0,0|0,0,3]=4 119 B4R0.2 C/C=C/CO Molport-001-759-965 [0,1,0,0,0,0|0,0,2]=3 120 B4R0.2 C=CCC#N Molport-001-779-791 [0,1,0,0,0,0|0,0,3]=4 121 B4R0.2 C=CCCN Molport-003-937-643 [0,1,0,0,0,0|0,0,2]=3 122 B4R0.2 C=COCC Molport-000-141-310 [0,1,0,0,0,0|0,0,2]=3 123 B4R0.2 C=NCC#N Molport-001-779-739 [0,1,0,0,0,0|1,0,2]=4 124 B4R0.2 CCCC#N Molport-001-770-811 [0,1,0,0,0,0|0,0,1]=2 125 B4R0.2 CCCCBr Molport-000-875-340 [0,1,0,0,0,0|0,0,0]=1 126 B4R0.2 CCCCI Molport-001-768-334 [0,1,0,0,0,0|0,0,0]=1 127 B4R0.2 CCCCN Molport-001-788-476 [0,1,0,0,0,0|0,0,0]=1 128 B4R0.2 CCCNC Molport-001-791-508 [0,1,0,0,0,0|0,0,0]=1 129 B4R0.2 CCCNN Molport-006-701-876 [0,1,0,0,0,0|1,0,0]=2 130 B4R0.2 CCCON Molport-009-195-312 [0,1,0,0,0,0|1,0,0]=2 131 B4R0.2 CCN=C=O Molport-001-732-518 [0,1,0,0,0,0|1,0,1]=3 132 B4R0.2 CCN=C=S Molport-000-872-053 [0,1,0,0,0,0|1,0,1]=3 133 B4R0.2 CCOC=O Molport-001-766-723 [0,1,0,0,0,0|1,0,1]=3 134 B4R0.2 CNCCCl Molport-020-167-804 [0,1,0,0,0,0|1,0,0]=2 135 B4R0.2 CNCCI Molport-006-841-201 [0,1,0,0,0,0|1,0,0]=2 136 B4R0.2 COCC#N Molport-001-768-878 [0,1,0,0,0,0|1,0,1]=3 137 B4R0.2 COCCBr Molport-000-151-998 [0,1,0,0,0,0|1,0,0]=2 138 B4R0.2 COCCN Molport-001-787-261 [0,1,0,0,0,0|1,0,0]=2 139 B4R0.2 COCCO Molport-001-793-100 [0,1,0,0,0,0|1,0,0]=2 140 B4R0.2 COCOC Molport-003-934-233 [0,1,0,0,0,0|1,0,0]=2 141 B4R0.2 COCON Molport-029-823-220 [0,1,0,0,0,0|2,0,0]=3 142 B4R0.2 CSCC#N Molport-003-926-935 [0,1,0,0,0,0|1,0,1]=3 143 B4R0.2 CSCCN Molport-000-144-203 [0,1,0,0,0,0|1,0,0]=2 144 B4R0.2 ClCCCBr Molport-001-783-421 [0,1,0,0,0,0|1,0,0]=2 145 B4R0.2 N#CCC#N Molport-000-872-051 [0,1,0,0,0,0|1,0,2]=4 146 B4R0.2 N#CCCBr Molport-001-790-603 [0,1,0,0,0,0|1,0,1]=3 147 B4R0.2 N#CCCCl Molport-001-787-315 [0,1,0,0,0,0|1,0,1]=3 148 B4R0.2 N#CCCO Molport-001-767-916 [0,1,0,0,0,0|1,0,1]=3 149 B4R0.2 N#CCCS Molport-006-112-773 [0,1,0,0,0,0|1,0,1]=3 150 B4R0.2 N#CCNO Molport-006-309-688 [0,1,0,0,0,0|2,0,1]=4 151 B4R0.2 N#CCON Molport-027-631-770 [0,1,0,0,0,0|2,0,1]=4 152 B4R0.2 N#CSCCl Molport-003-925-798 [0,1,0,0,0,0|2,0,1]=4 153 B4R0.2 NCCCBr Molport-003-925-632 [0,1,0,0,0,0|1,0,0]=2 154 B4R0.2 NCCCCl Molport-001-759-788 [0,1,0,0,0,0|1,0,0]=2 155 B4R0.2 NCCCCl Molport-001-792-701 [0,1,0,0,0,0|1,0,0]=2 156 B4R0.2 NCCCN Molport-000-871-983 [0,1,0,0,0,0|1,0,0]=2 157 B4R0.2 NCCCS Molport-019-922-324 [0,1,0,0,0,0|1,0,0]=2 158 B4R0.2 NNCCO Molport-000-003-956 [0,1,0,0,0,0|2,0,0]=3 159 B4R0.2 NOCCO Molport-008-600-593 [0,1,0,0,0,0|2,0,0]=3 160 B4R0.2 NOCON Molport-049-243-131 [0,1,0,0,0,0|3,0,0]=4 161 B4R0.2 O=CCCO Molport-006-114-002 [0,1,0,0,0,0|1,0,1]=3 162 B4R0.2 OCCCCl Molport-001-756-377 [0,1,0,0,0,0|1,0,0]=2 163 B4R0.2 SCCCS Molport-003-939-167 [0,1,0,0,0,0|1,0,0]=2 164 B4R0.2 [NH3+]OCO[NH3+] Molport-000-917-512 [0,1,0,0,0,0|3,0,0]=4 165 B4R1.2 CC1CO1 Molport-003-925-881 [0,0,0,1,0,0|1,0,0]=2 166 B4R1.2 NC1CC1 Molport-000-153-790 [0,0,0,1,0,0|1,0,0]=2 167 B1R0.1 CI Molport-000-156-457 [2,0,0,0,0,0|1,0,0]=3 168 B1R0.1 CS Molport-003-929-451 [2,0,0,0,0,0|1,0,0]=3 169 B1R0.1 C[S-] Molport-001-766-727 [2,0,0,0,0,0|1,0,0]=3 170 B1R0.1 [Li]Cl Molport-003-929-506 [2,0,0,0,0,0|2,0,0]=4 171 B1R0.1 [Li]O Molport-001-789-679 [2,0,0,0,0,0|2,0,0]=4 172 B1R0.1 [Na]I Molport-047-739-920 [2,0,0,0,0,0|2,0,0]=4 173 B1R0.1 [O-]Cl Molport-001-781-857 [2,0,0,0,0,0|2,0,0]=4 174 B3R0.2 CC(=N)N Molport-000-000-404 [1,1,0,0,0,0|1,0,1]=4 175 B3R0.2 CC(=N)N Molport-000-872-001 [1,1,0,0,0,0|1,0,1]=4 176 B3R0.2 CC(=N)S Molport-006-109-601 [1,1,0,0,0,0|1,0,1]=4 177 B3R0.2 CC(=O)O Molport-000-871-575 [1,1,0,0,0,0|1,0,1]=4 178 B3R0.2 CC(=O)O Molport-003-925-310 [1,1,0,0,0,0|1,0,1]=4 179 B3R0.2 CC(=O)S Molport-001-781-634 [1,1,0,0,0,0|1,0,1]=4 180 B3R0.2 CC(=O)[O-] Molport-006-169-563 [1,1,0,0,0,0|1,0,1]=4 181 B3R0.2 CC(=O)[O-] Molport-023-223-803 [1,1,0,0,0,0|1,0,1]=4 182 B3R0.2 CC(=O)[O-] Molport-046-852-321 [1,1,0,0,0,0|1,0,1]=4 183 B3R0.2 CC(C)Br Molport-001-779-707 [1,1,0,0,0,0|0,0,0]=2 184 B3R0.2 CC(C)Cl Molport-003-925-224 [1,1,0,0,0,0|0,0,0]=2 185 B3R0.2 CC(C)I Molport-001-768-395 [1,1,0,0,0,0|0,0,0]=2 186 B3R0.2 CC(C)N Molport-001-791-744 [1,1,0,0,0,0|0,0,0]=2 187 B3R0.2 CC(C)N Molport-009-198-777 [1,1,0,0,0,0|0,0,0]=2 188 B3R0.2 CC(C)O Molport-000-871-957 [1,1,0,0,0,0|0,0,0]=2 189 B3R0.2 CC(C)S Molport-003-935-617 [1,1,0,0,0,0|0,0,0]=2 190 B3R0.2 CN(C)N Molport-001-779-938 [1,1,0,0,0,0|1,0,0]=3 191 B3R0.2 CS(=O)C Molport-002-317-295 [1,1,0,0,0,0|1,0,0]=3 192 B3R0.2 C[N+](=O)[O-] Molport-000-871-968 [1,1,0,0,0,0|2,0,0]=4 193 B3R0.2 C[S+](C)C Molport-003-855-330 [1,1,0,0,0,0|1,0,0]=3 194 B3R0.2 [13CH3][13C](=O)[O-] Molport-003-929-150 [1,1,0,0,0,0|1,0,1]=4 195 B5R0.1 C/C=C/C(=O)C Molport-001-786-612 [0,2,0,0,0,0|0,0,2]=4 196 B5R0.1 C/N=C/N(C)C Molport-047-355-420 [0,2,0,0,0,0|1,0,1]=4 197 B5R0.1 C=C(C)CCO Molport-003-926-226 [0,2,0,0,0,0|0,0,1]=3 198 B5R0.1 C=C(C)CNN Molport-000-871-560 [0,2,0,0,0,0|1,0,1]=4 199 B5R0.1 CC(=CCBr)C Molport-001-791-956 [0,2,0,0,0,0|0,0,2]=4 200 B5R0.1 CC(=O)CC#N Molport-016-637-915 [0,2,0,0,0,0|0,0,2]=4 201 B5R0.1 CC(=O)CCN Molport-016-899-706 [0,2,0,0,0,0|0,0,1]=3 202 B5R0.1 CC(C)/C=N/O Molport-000-139-603 [0,2,0,0,0,0|1,0,1]=4 203 B5R0.1 CC(C)C=NO Molport-003-909-959 [0,2,0,0,0,0|1,0,1]=4 204 B5R0.1 CC(C)CC=O Molport-001-787-528 [0,2,0,0,0,0|0,0,1]=3 205 B5R0.1 CC(C)CCBr Molport-000-875-341 [0,2,0,0,0,0|0,0,0]=2 206 B5R0.1 CC(C)CCCl Molport-001-783-738 [0,2,0,0,0,0|0,0,0]=2 207 B5R0.1 CC(C)CCI Molport-001-770-162 [0,2,0,0,0,0|0,0,0]=2 208 B5R0.1 CC(C)CCN Molport-003-927-223 [0,2,0,0,0,0|0,0,0]=2 209 B5R0.1 CC(C)CCO Molport-001-793-103 [0,2,0,0,0,0|0,0,0]=2 210 B5R0.1 CC(C)N=C=O Molport-001-732-437 [0,2,0,0,0,0|1,0,1]=4 211 B5R0.1 CC(O)CCO Molport-003-927-418 [0,2,0,0,0,0|0,0,0]=2 212 B5R0.1 CC(O)CNN Molport-006-192-132 [0,2,0,0,0,0|1,0,0]=3 213 B5R0.1 CCCC(=O)C Molport-001-783-786 [0,2,0,0,0,0|0,0,0]=2 214 B5R0.1 CCCC(=O)Cl Molport-000-871-699 [0,2,0,0,0,0|0,0,1]=3 215 B5R0.1 CCCC(=O)O Molport-001-769-669 [0,2,0,0,0,0|0,0,1]=3 216 B5R0.1 CCC[C@H](C)N Molport-039-014-155 [0,2,0,0,0,0|0,0,0]=2 217 B5R0.1 CCC[N+](=O)[O-] Molport-003-938-817 [0,2,0,0,0,0|1,0,0]=3 218 B5R0.1 CCNC(=O)N Molport-001-790-642 [0,2,0,0,0,0|1,0,1]=4 219 B5R0.1 CCOC(=N)C Molport-003-925-073 [0,2,0,0,0,0|0,0,1]=3 220 B5R0.1 CCOC(=O)Cl Molport-000-872-022 [0,2,0,0,0,0|1,0,1]=4 221 B5R0.1 CCOC(=S)[S-] Molport-002-318-476 [0,2,0,0,0,0|1,0,1]=4 222 B5R0.1 CN(C)CC#N Molport-003-928-186 [0,2,0,0,0,0|1,0,1]=4 223 B5R0.1 CN(C)CCN Molport-001-769-719 [0,2,0,0,0,0|1,0,0]=3 224 B5R0.1 CNCC(=O)N Molport-001-791-882 [0,2,0,0,0,0|1,0,1]=4 225 B5R0.1 CNCC(=O)N Molport-009-765-559 [0,2,0,0,0,0|1,0,1]=4 226 B5R0.1 CNCC(=O)O Molport-006-112-192 [0,2,0,0,0,0|1,0,1]=4 227 B5R0.1 CNCC(C)F Molport-042-670-111 [0,2,0,0,0,0|0,0,0]=2 228 B5R0.1 CNCC(C)O Molport-004-285-746 [0,2,0,0,0,0|0,0,0]=2 229 B5R0.1 COCC(=O)Cl Molport-001-794-226 [0,2,0,0,0,0|1,0,1]=4 230 B5R0.1 COCC(=O)N Molport-003-909-731 [0,2,0,0,0,0|1,0,1]=4 231 B5R0.1 COCC(=S)N Molport-004-339-486 [0,2,0,0,0,0|1,0,1]=4 232 B5R0.1 COCC(C)O Molport-001-793-107 [0,2,0,0,0,0|0,0,0]=2 233 B5R0.1 CSCC(=N)N Molport-000-004-630 [0,2,0,0,0,0|1,0,1]=4 234 B5R0.1 NC(=O)CCBr Molport-001-794-093 [0,2,0,0,0,0|1,0,1]=4 235 B5R0.1 NC(=O)CCCl Molport-001-765-331 [0,2,0,0,0,0|1,0,1]=4 236 B5R0.1 NCCC(F)F Molport-016-636-195 [0,2,0,0,0,0|1,0,0]=3 237 B5R0.1 O=C(Cl)CCBr Molport-001-792-852 [0,2,0,0,0,0|1,0,1]=4 238 B5R0.1 O=C(Cl)CCCl Molport-001-759-829 [0,2,0,0,0,0|1,0,1]=4 239 B5R0.1 O=C(O)CCBr Molport-000-152-389 [0,2,0,0,0,0|1,0,1]=4 240 B5R0.1 O=C(O)CCCl Molport-000-871-656 [0,2,0,0,0,0|1,0,1]=4 241 B5R0.1 O=C(O)CCO Molport-000-156-380 [0,2,0,0,0,0|1,0,1]=4 242 B5R0.1 O=[N+]([O-])CCO Molport-001-781-992 [0,2,0,0,0,0|2,0,0]=4 243 B5R0.3 BrCC(Br)CBr Molport-001-779-772 [0,2,0,0,0,0|1,0,0]=3 244 B5R0.3 C#CC(C)CN Molport-046-425-880 [0,2,0,0,0,0|1,0,0]=3 245 B5R0.3 C=CC(O)CBr Molport-035-775-534 [0,2,0,0,0,0|0,0,2]=4 246 B5R0.3 C=CC(O)CC Molport-001-792-065 [0,2,0,0,0,0|0,0,1]=3 247 B5R0.3 C=CC(O)CN Molport-000-001-157 [0,2,0,0,0,0|0,0,2]=4 248 B5R0.3 CC/C(=N/O)/N Molport-000-003-970 [0,2,0,0,0,0|1,0,1]=4 249 B5R0.3 CCC(=O)CC Molport-001-770-065 [0,2,0,0,0,0|0,0,0]=2 250 B5R0.3 CCC(=O)CN Molport-023-152-874 [0,2,0,0,0,0|0,0,1]=3 251 B5R0.3 CCC(=O)NN Molport-000-161-644 [0,2,0,0,0,0|1,0,1]=4 252 B5R0.3 CCC(=O)NO Molport-004-345-454 [0,2,0,0,0,0|1,0,1]=4 253 B5R0.3 CCC(=O)OC Molport-003-925-859 [0,2,0,0,0,0|0,0,1]=3 254 B5R0.3 CCC(C)CO Molport-001-783-235 [0,2,0,0,0,0|0,0,0]=2 255 B5R0.3 CCC(N)CC Molport-001-759-279 [0,2,0,0,0,0|0,0,0]=2 256 B5R0.3 CCC(N)CC Molport-004-443-422 [0,2,0,0,0,0|0,0,0]=2 257 B5R0.3 CCC(N)CO Molport-003-925-553 [0,2,0,0,0,0|0,0,0]=2 258 B5R0.3 CC[C@@H](O)CN Molport-000-001-215 [0,2,0,0,0,0|0,0,0]=2 259 B5R0.3 CNC(=O)CBr Molport-002-786-313 [0,2,0,0,0,0|1,0,1]=4 260 B5R0.3 CNC(=O)CCl Molport-000-679-703 [0,2,0,0,0,0|1,0,1]=4 261 B5R0.3 CNC(=O)CS Molport-003-938-573 [0,2,0,0,0,0|1,0,1]=4 262 B5R0.3 CNC(=O)NC Molport-000-894-312 [0,2,0,0,0,0|1,0,1]=4 263 B5R0.3 CNC(C)CO Molport-009-200-591 [0,2,0,0,0,0|1,0,0]=3 264 B5R0.3 COC(=O)CBr Molport-001-791-817 [0,2,0,0,0,0|1,0,1]=4 265 B5R0.3 COC(=O)CCl Molport-000-871-801 [0,2,0,0,0,0|1,0,1]=4 266 B5R0.3 COC(=O)CI Molport-023-282-507 [0,2,0,0,0,0|1,0,1]=4 267 B5R0.3 COC(=O)CO Molport-001-761-942 [0,2,0,0,0,0|1,0,1]=4 268 B5R0.3 COC(=O)CS Molport-003-925-847 [0,2,0,0,0,0|1,0,1]=4 269 B5R0.3 COC(=O)OC Molport-003-931-791 [0,2,0,0,0,0|1,0,1]=4 270 B5R0.3 C[C@@H](CN)CO Molport-023-282-274 [0,2,0,0,0,0|1,0,0]=3 271 B5R0.3 N#CC(Br)CBr Molport-001-768-559 [0,2,0,0,0,0|1,0,1]=4 272 B5R0.3 N#CC(Cl)CCl Molport-006-114-537 [0,2,0,0,0,0|1,0,1]=4 273 B5R0.3 NC(CO)CO Molport-001-768-923 [0,2,0,0,0,0|1,0,0]=3 274 B5R0.3 NCC(O)CF Molport-037-963-032 [0,2,0,0,0,0|1,0,0]=3 275 B5R0.3 O=C(CCl)CCl Molport-001-766-690 [0,2,0,0,0,0|1,0,1]=4 276 B5R0.3 O=C[C@@H](O)CO Molport-003-983-961 [0,2,0,0,0,0|1,0,1]=4 277 B5R0.3 OC(CCl)CCl Molport-001-779-733 [0,2,0,0,0,0|1,0,0]=3 278 B5R0.3 OCC(Cl)CO Molport-006-111-471 [0,2,0,0,0,0|1,0,0]=3 279 B5R0.3 OCC(O)CCl Molport-001-779-558 [0,2,0,0,0,0|1,0,0]=3 280 B5R0.4 C#CC(C)(C)N Molport-001-785-477 [0,2,0,0,0,0|0,0,2]=4 281 B5R0.4 C#CC(C)(C)N Molport-019-995-444 [0,2,0,0,0,0|0,0,2]=4 282 B5R0.4 C#CC(C)(C)O Molport-000-931-514 [0,2,0,0,0,0|0,0,2]=4 283 B5R0.4 C#CC(C)(C)O Molport-002-943-428 [0,2,0,0,0,0|0,0,2]=4 284 B5R0.4 C=CC(C)(C)N Molport-044-563-633 [0,2,0,0,0,0|0,0,2]=4 285 B5R0.4 CC(C)(Br)C#N Molport-022-367-317 [0,2,0,0,0,0|1,0,1]=4 286 B5R0.4 CC(C)(C)C#N Molport-001-769-823 [0,2,0,0,0,0|1,0,1]=4 287 B5R0.4 CC(C)(C)NN Molport-001-766-668 [0,2,0,0,0,0|2,0,0]=4 288 B5R0.4 CC(C)(N)C#N Molport-000-248-761 [0,2,0,0,0,0|1,0,1]=4 289 B5R0.4 CC(C)(N)CN Molport-001-792-136 [0,2,0,0,0,0|1,0,0]=3 290 B5R0.4 CC(C)(O)C#N Molport-000-871-976 [0,2,0,0,0,0|1,0,1]=4 291 B5R0.4 CC(C)(O)CO Molport-001-785-851 [0,2,0,0,0,0|1,0,0]=3 292 B5R0.4 CC(C)(S)CN Molport-018-617-137 [0,2,0,0,0,0|1,0,0]=3 293 B5R0.4 CCS(=N)(=O)C Molport-035-783-560 [0,2,0,0,0,0|1,0,0]=3 294 B5R0.4 CCS(=O)(=O)C Molport-008-818-912 [0,2,0,0,0,0|1,0,0]=3 295 B5R0.4 CCS(=O)(=O)Cl Molport-001-791-712 [0,2,0,0,0,0|2,0,0]=4 296 B5R0.4 CCS(=O)(=O)N Molport-000-155-067 [0,2,0,0,0,0|2,0,0]=4 297 B5R0.4 CC[B-](F)(F)F Molport-016-580-523 [0,2,0,0,0,0|2,0,0]=4 298 B5R0.4 C[Si](C)(C)CCl Molport-000-002-814 [0,2,0,0,0,0|1,1,0]=4 299 B5R0.4 OCC(F)(F)F Molport-000-158-883 [0,2,0,0,0,0|2,0,0]=4 300 B5R0.5 CC(=O)C(C)C Molport-001-768-912 [0,2,0,0,0,0|0,0,1]=3 301 B5R0.5 CC(=O)C(C)Cl Molport-001-791-821 [0,2,0,0,0,0|0,0,1]=3 302 B5R0.5 CC(=O)C(C)O Molport-001-785-644 [0,2,0,0,0,0|0,0,1]=3 303 B5R0.5 CC(=O)N(C)N Molport-022-878-797 [0,2,0,0,0,0|1,0,1]=4 304 B5R0.5 CC(Br)C(=O)O Molport-001-783-816 [0,2,0,0,0,0|1,0,1]=4 305 B5R0.5 CC(C)C(=N)N Molport-002-344-389 [0,2,0,0,0,0|1,0,1]=4 306 B5R0.5 CC(C)C(=O)Cl Molport-001-759-229 [0,2,0,0,0,0|1,0,1]=4 307 B5R0.5 CC(C)C(=O)N Molport-001-780-137 [0,2,0,0,0,0|1,0,1]=4 308 B5R0.5 CC(C)C(=O)O Molport-001-783-185 [0,2,0,0,0,0|1,0,1]=4 309 B5R0.5 CC(C)C(=S)N Molport-003-849-061 [0,2,0,0,0,0|1,0,1]=4 310 B5R0.5 CC(C)[N+](=O)[O-] Molport-001-788-474 [0,2,0,0,0,0|2,0,0]=4 311 B5R0.5 CC(Cl)C(=O)N Molport-003-927-461 [0,2,0,0,0,0|1,0,1]=4 312 B5R0.5 CC(N)C(C)N Molport-019-955-592 [0,2,0,0,0,0|0,0,0]=2 313 B5R0.5 CC(O)C(=O)N Molport-001-551-223 [0,2,0,0,0,0|1,0,1]=4 314 B5R0.5 CC(S)C(=O)O Molport-003-939-593 [0,2,0,0,0,0|1,0,1]=4 315 B5R0.5 C[C@H](O)[13C](=O)[O-] Molport-051-692-338 [0,2,0,0,0,0|1,0,1]=4 316 B5R0.5 C[C@H]([15NH2])C(=O)O Molport-042-682-390 [0,2,0,0,0,0|1,0,1]=4 317 B5R0.5 [13CH3]C(N)C(=O)O Molport-051-767-821 [0,2,0,0,0,0|1,0,1]=4 318 B5R0.5 [13CH3][C@H](N)C(=O)O Molport-003-934-833 [0,2,0,0,0,0|1,0,1]=4 319 B5R0.5 [13CH3][C@H](O)C(=O)[O-] Molport-003-934-622 [0,2,0,0,0,0|1,0,1]=4 320 B5R0.2 BrCCCCBr Molport-000-153-861 [0,2,0,0,0,0|0,0,0]=2 321 B5R0.2 C#CCCNC Molport-046-425-329 [0,2,0,0,0,0|0,0,1]=3 322 B5R0.2 C=CCCCN Molport-006-390-492 [0,2,0,0,0,0|0,0,1]=3 323 B5R0.2 C=CCCCN Molport-027-835-800 [0,2,0,0,0,0|0,0,1]=3 324 B5R0.2 C=CCCNC Molport-044-554-395 [0,2,0,0,0,0|0,0,1]=3 325 B5R0.2 C=CCNCC Molport-000-005-271 [0,2,0,0,0,0|0,0,1]=3 326 B5R0.2 C=CCNCC Molport-016-634-341 [0,2,0,0,0,0|0,0,1]=3 327 B5R0.2 CC#CCCN Molport-027-845-750 [0,2,0,0,0,0|0,0,1]=3 328 B5R0.2 CC/C=C\CO Molport-000-150-381 [0,2,0,0,0,0|0,0,1]=3 329 B5R0.2 CCCCC=O Molport-001-768-920 [0,2,0,0,0,0|0,0,0]=2 330 B5R0.2 CCCCCBr Molport-001-768-933 [0,2,0,0,0,0|0,0,0]=2 331 B5R0.2 CCCCCC Molport-016-899-216 [0,2,0,0,0,0|0,0,0]=2 332 B5R0.2 CCCCCI Molport-001-783-755 [0,2,0,0,0,0|0,0,0]=2 333 B5R0.2 CCCCCN Molport-001-759-278 [0,2,0,0,0,0|0,0,0]=2 334 B5R0.2 CCCCNC Molport-001-787-403 [0,2,0,0,0,0|0,0,0]=2 335 B5R0.2 CCCN=C=O Molport-001-732-519 [0,2,0,0,0,0|0,0,1]=3 336 B5R0.2 CCNCCCl Molport-039-028-247 [0,2,0,0,0,0|0,0,0]=2 337 B5R0.2 CCNCCO Molport-001-791-880 [0,2,0,0,0,0|0,0,0]=2 338 B5R0.2 CCOCCBr Molport-000-151-989 [0,2,0,0,0,0|0,0,0]=2 339 B5R0.2 CCSCC#N Molport-004-372-802 [0,2,0,0,0,0|0,0,1]=3 340 B5R0.2 CCSCCO Molport-000-155-261 [0,2,0,0,0,0|0,0,0]=2 341 B5R0.2 CNCCC#N Molport-001-791-512 [0,2,0,0,0,0|0,0,1]=3 342 B5R0.2 CNCCCN Molport-000-004-740 [0,2,0,0,0,0|0,0,0]=2 343 B5R0.2 CNCCNC Molport-046-852-851 [0,2,0,0,0,0|0,0,0]=2 344 B5R0.2 CNCCOC Molport-003-993-522 [0,2,0,0,0,0|0,0,0]=2 345 B5R0.2 CNCCSC Molport-011-940-627 [0,2,0,0,0,0|0,0,0]=2 346 B5R0.2 COCCC#N Molport-000-183-599 [0,2,0,0,0,0|0,0,1]=3 347 B5R0.2 COCCCN Molport-001-794-234 [0,2,0,0,0,0|0,0,0]=2 348 B5R0.2 COCCCO Molport-001-756-376 [0,2,0,0,0,0|0,0,0]=2 349 B5R0.2 COCCOC Molport-003-928-695 [0,2,0,0,0,0|0,0,0]=2 350 B5R0.2 COCCON Molport-008-604-171 [0,2,0,0,0,0|1,0,0]=3 351 B5R0.2 COCN=C=O Molport-004-336-498 [0,2,0,0,0,0|1,0,1]=4 352 B5R0.2 N#CCCC=O Molport-001-794-668 [0,2,0,0,0,0|0,0,2]=4 353 B5R0.2 N#CCCCCl Molport-001-757-196 [0,2,0,0,0,0|0,0,1]=3 354 B5R0.2 N#CCCCO Molport-003-918-670 [0,2,0,0,0,0|0,0,1]=3 355 B5R0.2 NCC#CCN Molport-028-949-507 [0,2,0,0,0,0|0,0,2]=4 356 B5R0.2 NCC#CCO Molport-023-198-595 [0,2,0,0,0,0|0,0,2]=4 357 B5R0.2 NCCCCN Molport-001-781-809 [0,2,0,0,0,0|0,0,0]=2 358 B5R0.2 NCCCCS Molport-028-956-912 [0,2,0,0,0,0|0,0,0]=2 359 B5R0.2 NOCCON Molport-046-837-250 [0,2,0,0,0,0|2,0,0]=4 360 B5R0.2 O=C=NCCCl Molport-001-732-448 [0,2,0,0,0,0|1,0,1]=4 361 B5R0.2 OCC#CCO Molport-003-927-455 [0,2,0,0,0,0|0,0,2]=4 362 B5R0.2 OCCCCCl Molport-001-757-740 [0,2,0,0,0,0|0,0,0]=2 363 B3R1.1 C1CS1 Molport-001-782-825 [1,0,0,1,0,0|1,0,0]=3 364 B5R1.2 BrC1CCC1 Molport-001-790-365 [0,1,0,1,0,0|0,0,0]=2 365 B5R1.2 C=C1CNC1 Molport-039-203-851 [0,1,0,1,0,0|0,0,2]=4 366 B5R1.2 C[C@H]1CCN1 Molport-046-162-416 [0,1,0,1,0,0|0,0,0]=2 367 B5R1.2 NC1CCC1 Molport-003-926-919 [0,1,0,1,0,0|0,0,0]=2 368 B5R1.2 OC1CNC1 Molport-001-794-113 [0,1,0,1,0,0|1,0,0]=3 369 B5R1.2 OC1COC1 Molport-006-701-036 [0,1,0,1,0,0|1,0,0]=3 370 B5R1.2 OC1CSC1 Molport-006-119-448 [0,1,0,1,0,0|1,0,0]=3 371 B5R1.3 C#CC1CC1 Molport-000-002-503 [0,1,0,1,0,0|0,0,1]=3 372 B5R1.3 ClCC1CC1 Molport-001-791-994 [0,1,0,1,0,0|0,0,0]=2 373 B5R1.3 ClCC1CO1 Molport-001-779-799 [0,1,0,1,0,0|1,0,0]=3 374 B5R1.3 ClCC1CO1 Molport-035-869-714 [0,1,0,1,0,0|1,0,0]=3 375 B5R1.3 ClC[C@H]1CO1 Molport-000-159-810 [0,1,0,1,0,0|1,0,0]=3 376 B5R1.3 FCC1CO1 Molport-000-005-511 [0,1,0,1,0,0|1,0,0]=3 377 B5R1.3 NCC1CC1 Molport-001-760-871 [0,1,0,1,0,0|0,0,0]=2 378 B5R1.3 NCC1CC1 Molport-003-940-243 [0,1,0,1,0,0|0,0,0]=2 379 B5R1.3 O=CC1CC1 Molport-001-791-854 [0,1,0,1,0,0|0,0,1]=3 380 B5R1.3 OCC1CC1 Molport-000-145-901 [0,1,0,1,0,0|0,0,0]=2 381 B5R1.5 CC1(CN1)C Molport-001-781-472 [0,1,0,1,0,0|1,0,0]=3 382 B5R1.5 CC1(CO1)C Molport-000-156-531 [0,1,0,1,0,0|1,0,0]=3 383 B5R1.1 C1=CCCC1 Molport-001-759-289 [0,1,0,1,0,0|0,0,1]=3 384 B5R1.1 C1CCCC1 Molport-001-789-854 [0,1,0,1,0,0|0,0,0]=2 385 B5R1.1 C1CCSC1 Molport-000-158-587 [0,1,0,1,0,0|0,0,0]=2