0 B5R1.3 C#CC1CC1 Molport-000-002-503 [0,0,0,0,0,0|2,0,1]=3 1 B5R1.3 ClCC1CC1 Molport-001-791-994 [0,0,0,0,0,0|1,0,0]=1 2 B5R1.3 ClCC1CO1 Molport-001-779-799 [0,0,0,0,0,0|0,0,0]=0 3 B5R1.3 ClCC1CO1 Molport-035-869-714 [0,0,0,0,0,0|0,0,0]=0 4 B5R1.3 ClC[C@H]1CO1 Molport-000-159-810 [0,0,0,0,0,0|0,0,0]=0 5 B5R1.3 FCC1CO1 Molport-000-005-511 [0,0,0,0,0,0|0,1,0]=1 6 B5R1.3 NCC1CC1 Molport-001-760-871 [0,0,0,0,0,0|2,0,0]=2 7 B5R1.3 NCC1CC1 Molport-003-940-243 [0,0,0,0,0,0|2,0,0]=2 8 B5R1.3 O=CC1CC1 Molport-001-791-854 [0,0,0,0,0,0|2,0,1]=3 9 B5R1.3 OCC1CC1 Molport-000-145-901 [0,0,0,0,0,0|2,0,0]=2 10 B4R1.2 CC1CO1 Molport-003-925-881 [1,0,0,0,0,0|0,0,0]=1 11 B4R1.2 NC1CC1 Molport-000-153-790 [1,0,0,0,0,0|2,0,0]=3 12 B6R1.3 CCNC1CC1 Molport-004-309-107 [0,1,0,0,0,0|2,0,0]=3 13 B6R1.3 COCC1CO1 Molport-003-987-095 [0,1,0,0,0,0|1,0,0]=2 14 B6R1.3 NCCC1CC1 Molport-006-389-889 [0,1,0,0,0,0|2,0,0]=3 15 B6R1.3 NNCC1CC1 Molport-005-311-503 [0,1,0,0,0,0|2,0,0]=3 16 B6R1.3 NOCC1CC1 Molport-006-666-225 [0,1,0,0,0,0|2,0,0]=3 17 B6R1.3 O=C=NC1CC1 Molport-003-748-780 [0,1,0,0,0,0|2,0,1]=4 18 B6R1.3 S=C=NC1CC1 Molport-000-146-889 [0,1,0,0,0,0|2,0,1]=4 19 B6R1.7 CC1(N=N1)CN Molport-039-060-588 [0,1,0,0,0,0|3,0,0]=4 20 B6R1.7 NC1(CC1)CO Molport-009-682-276 [0,1,0,0,0,0|2,0,0]=3 21 B6R1.8 CO[C@H]1C[C@H]1N Molport-047-413-065 [0,1,0,0,0,0|3,0,0]=4 22 B6R1.8 N[C@@H]1C[C@H]1CO Molport-035-765-333 [0,1,0,0,0,0|2,0,0]=3 23 B6R1.11 CC(N)C1CC1 Molport-000-929-134 [0,1,0,0,0,0|2,0,0]=3 24 B6R1.11 CC(O)C1CC1 Molport-001-793-739 [0,1,0,0,0,0|2,0,0]=3 25 B6R1.11 C[C@H](N)C1CC1 Molport-038-935-582 [0,1,0,0,0,0|2,0,0]=3 26 B6R1.11 N=C(N)C1CC1 Molport-000-002-502 [0,1,0,0,0,0|2,0,1]=4 27 B6R1.11 NC(=O)C1CC1 Molport-001-759-958 [0,1,0,0,0,0|2,0,1]=4 28 B6R1.11 NC(=S)C1CC1 Molport-002-776-821 [0,1,0,0,0,0|2,0,1]=4 29 B6R1.11 O=C(Cl)C1CC1 Molport-001-794-223 [0,1,0,0,0,0|1,0,1]=3 30 B4R0.1 C#CC(C)N Molport-009-199-310 [0,0,1,0,0,0|2,0,1]=4 31 B4R0.1 C#CC(C)N Molport-019-997-152 [0,0,1,0,0,0|2,0,1]=4 32 B4R0.1 C#CC(C)O Molport-001-756-893 [0,0,1,0,0,0|1,0,1]=3 33 B4R0.1 C/C(=C\Cl)/Cl Molport-028-615-630 [0,0,1,0,0,0|1,0,2]=4 34 B4R0.1 C=C(C)CCl Molport-000-871-802 [0,0,1,0,0,0|1,0,1]=3 35 B4R0.1 CC(=O)CCl Molport-000-871-814 [0,0,1,0,0,0|0,0,2]=3 36 B4R0.1 CC(=O)C[NH3+] Molport-002-330-020 [0,0,1,0,0,0|1,0,2]=4 37 B4R0.1 CC(C)C#N Molport-001-770-812 [0,0,1,0,0,0|2,0,1]=4 38 B4R0.1 CC(C)C=O Molport-001-787-562 [0,0,1,0,0,0|2,0,1]=4 39 B4R0.1 CC(C)CBr Molport-001-779-904 [0,0,1,0,0,0|1,1,0]=3 40 B4R0.1 CC(C)CN Molport-001-791-754 [0,0,1,0,0,0|2,0,0]=3 41 B4R0.1 CC(C)CO Molport-001-785-833 [0,0,1,0,0,0|2,0,0]=3 42 B4R0.1 CC(C)NN Molport-000-159-466 [0,0,1,0,0,0|3,0,0]=4 43 B4R0.1 CC(C)[Mg]Cl Molport-003-928-093 [0,0,1,0,0,0|2,0,0]=3 44 B4R0.1 CC(Cl)CN Molport-035-831-138 [0,0,1,0,0,0|2,0,0]=3 45 B4R0.1 CC(F)CN Molport-042-670-110 [0,0,1,0,0,0|2,0,0]=3 46 B4R0.1 CC(N)CN Molport-003-926-030 [0,0,1,0,0,0|2,0,0]=3 47 B4R0.1 CC(N)CS Molport-027-713-750 [0,0,1,0,0,0|2,0,0]=3 48 B4R0.1 CC(O)CCl Molport-001-792-062 [0,0,1,0,0,0|0,0,0]=1 49 B4R0.1 CC(O)CO Molport-001-768-866 [0,0,1,0,0,0|1,0,0]=2 50 B4R0.1 CC(S)CN Molport-023-247-163 [0,0,1,0,0,0|1,1,0]=3 51 B4R0.1 CCC(=O)O Molport-000-871-576 [0,0,1,0,0,0|2,0,1]=4 52 B4R0.1 CCC(C)Br Molport-001-768-736 [0,0,1,0,0,0|2,0,0]=3 53 B4R0.1 CCC(C)N Molport-001-768-854 [0,0,1,0,0,0|2,0,0]=3 54 B4R0.1 CCC(C)O Molport-001-783-136 [0,0,1,0,0,0|1,0,0]=2 55 B4R0.1 CCN(C)C Molport-003-925-293 [0,0,1,0,0,0|3,0,0]=4 56 B4R0.1 CCS(=O)O Molport-038-082-949 [0,0,1,0,0,0|3,0,0]=4 57 B4R0.1 C[C@H](O)CN Molport-001-794-231 [0,0,1,0,0,0|1,0,0]=2 58 B4R0.1 NCC(=O)O Molport-003-936-530 [0,0,1,0,0,0|2,0,1]=4 59 B4R0.1 NC[13C](=O)O Molport-003-929-093 [0,0,1,0,0,0|2,0,1]=4 60 B4R0.1 N[13CH2][13C](=O)O Molport-003-929-140 [0,0,1,0,0,0|2,0,1]=4 61 B4R0.1 O=C(Cl)CCl Molport-000-872-020 [0,0,1,0,0,0|1,0,2]=4 62 B4R0.1 O=C(O)CBr Molport-001-769-533 [0,0,1,0,0,0|1,1,1]=4 63 B4R0.1 O=C(O)CCl Molport-000-871-803 [0,0,1,0,0,0|1,0,1]=3 64 B4R0.1 O=C(O)CI Molport-002-990-500 [0,0,1,0,0,0|1,1,1]=4 65 B4R0.1 O=C(O)CO Molport-044-193-651 [0,0,1,0,0,0|2,0,1]=4 66 B4R0.1 O=C(O)CS Molport-003-935-930 [0,0,1,0,0,0|2,0,1]=4 67 B4R0.1 OCC(F)F Molport-000-154-350 [0,0,1,0,0,0|3,0,0]=4 68 B4R0.1 [15NH2]CC(=O)O Molport-003-929-547 [0,0,1,0,0,0|2,0,1]=4 69 B4R0.1 [15NH2][13CH2]C(=O)O Molport-003-929-550 [0,0,1,0,0,0|2,0,1]=4 70 B4R0.2 C#CCCN Molport-004-968-587 [0,0,1,0,0,0|2,0,1]=4 71 B4R0.2 C#CCCO Molport-000-152-662 [0,0,1,0,0,0|1,0,1]=3 72 B4R0.2 C/C=C/CO Molport-001-759-965 [0,0,1,0,0,0|1,0,2]=4 73 B4R0.2 C=CCCN Molport-003-937-643 [0,0,1,0,0,0|2,0,1]=4 74 B4R0.2 CCCC#N Molport-001-770-811 [0,0,1,0,0,0|2,0,1]=4 75 B4R0.2 CCCCBr Molport-000-875-340 [0,0,1,0,0,0|1,1,0]=3 76 B4R0.2 CCCCI Molport-001-768-334 [0,0,1,0,0,0|1,1,0]=3 77 B4R0.2 CCCCN Molport-001-788-476 [0,0,1,0,0,0|2,0,0]=3 78 B4R0.2 CCCNC Molport-001-791-508 [0,0,1,0,0,0|2,0,0]=3 79 B4R0.2 CCCNN Molport-006-701-876 [0,0,1,0,0,0|3,0,0]=4 80 B4R0.2 CCCON Molport-009-195-312 [0,0,1,0,0,0|2,0,0]=3 81 B4R0.2 CNCCCl Molport-020-167-804 [0,0,1,0,0,0|1,0,0]=2 82 B4R0.2 CNCCI Molport-006-841-201 [0,0,1,0,0,0|1,1,0]=3 83 B4R0.2 COCC#N Molport-001-768-878 [0,0,1,0,0,0|1,0,1]=3 84 B4R0.2 COCCBr Molport-000-151-998 [0,0,1,0,0,0|0,1,0]=2 85 B4R0.2 COCCN Molport-001-787-261 [0,0,1,0,0,0|1,0,0]=2 86 B4R0.2 COCCO Molport-001-793-100 [0,0,1,0,0,0|1,0,0]=2 87 B4R0.2 COCOC Molport-003-934-233 [0,0,1,0,0,0|2,0,0]=3 88 B4R0.2 COCON Molport-029-823-220 [0,0,1,0,0,0|2,0,0]=3 89 B4R0.2 CSCC#N Molport-003-926-935 [0,0,1,0,0,0|1,1,1]=4 90 B4R0.2 CSCCN Molport-000-144-203 [0,0,1,0,0,0|1,1,0]=3 91 B4R0.2 ClCCCBr Molport-001-783-421 [0,0,1,0,0,0|1,0,0]=2 92 B4R0.2 N#CCCBr Molport-001-790-603 [0,0,1,0,0,0|1,1,1]=4 93 B4R0.2 N#CCCCl Molport-001-787-315 [0,0,1,0,0,0|1,0,1]=3 94 B4R0.2 N#CCCO Molport-001-767-916 [0,0,1,0,0,0|1,0,1]=3 95 B4R0.2 N#CCCS Molport-006-112-773 [0,0,1,0,0,0|1,1,1]=4 96 B4R0.2 N#CCNO Molport-006-309-688 [0,0,1,0,0,0|2,0,1]=4 97 B4R0.2 N#CCON Molport-027-631-770 [0,0,1,0,0,0|2,0,1]=4 98 B4R0.2 N#CSCCl Molport-003-925-798 [0,0,1,0,0,0|2,0,1]=4 99 B4R0.2 NCCCBr Molport-003-925-632 [0,0,1,0,0,0|1,1,0]=3 100 B4R0.2 NCCCCl Molport-001-759-788 [0,0,1,0,0,0|1,0,0]=2 101 B4R0.2 NCCCCl Molport-001-792-701 [0,0,1,0,0,0|1,0,0]=2 102 B4R0.2 NCCCN Molport-000-871-983 [0,0,1,0,0,0|2,0,0]=3 103 B4R0.2 NCCCS Molport-019-922-324 [0,0,1,0,0,0|1,1,0]=3 104 B4R0.2 NNCCO Molport-000-003-956 [0,0,1,0,0,0|2,0,0]=3 105 B4R0.2 NOCCO Molport-008-600-593 [0,0,1,0,0,0|2,0,0]=3 106 B4R0.2 NOCON Molport-049-243-131 [0,0,1,0,0,0|3,0,0]=4 107 B4R0.2 O=CCCO Molport-006-114-002 [0,0,1,0,0,0|1,0,1]=3 108 B4R0.2 OCCCCl Molport-001-756-377 [0,0,1,0,0,0|0,0,0]=1 109 B4R0.2 SCCCS Molport-003-939-167 [0,0,1,0,0,0|1,1,0]=3 110 B4R0.2 [NH3+]OCO[NH3+] Molport-000-917-512 [0,0,1,0,0,0|3,0,0]=4 111 B6R1.6 CCC1CNC1 Molport-044-187-793 [0,0,0,0,0,1|2,0,0]=3 112 B6R1.6 CNC1CCC1 Molport-011-673-295 [0,0,0,0,0,1|3,0,0]=4 113 B6R1.6 CSC1CNC1 Molport-020-393-119 [0,0,0,0,0,1|3,0,0]=4 114 B6R1.6 N#CC1CNC1 Molport-023-330-114 [0,0,0,0,0,1|2,0,1]=4 115 B6R1.6 NNC1CCC1 Molport-005-311-502 [0,0,0,0,0,1|3,0,0]=4 116 B6R1.6 NNC1CCC1 Molport-009-198-565 [0,0,0,0,0,1|3,0,0]=4 117 B6R1.6 O=CC1CCC1 Molport-008-156-012 [0,0,0,0,0,1|2,0,1]=4 118 B6R1.6 OCC1CCC1 Molport-000-153-743 [0,0,0,0,0,1|2,0,0]=3 119 B6R1.6 OCC1CNC1 Molport-019-879-014 [0,0,0,0,0,1|2,0,0]=3 120 B6R1.6 OCC1COC1 Molport-019-867-179 [0,0,0,0,0,1|1,0,0]=2 121 B3R0.1 C#CCO Molport-001-785-544 [1,0,1,0,0,0|0,0,2]=4 122 B3R0.1 C=CCCl Molport-001-767-892 [1,0,1,0,0,0|0,0,2]=4 123 B3R0.1 CCC#N Molport-001-785-582 [1,0,1,0,0,0|1,0,1]=4 124 B3R0.1 CCC=O Molport-001-769-727 [1,0,1,0,0,0|0,0,2]=4 125 B3R0.1 CCCBr Molport-000-872-093 [1,0,1,0,0,0|0,1,0]=3 126 B3R0.1 CCCI Molport-001-768-401 [1,0,1,0,0,0|0,1,0]=3 127 B3R0.1 CCCS Molport-001-782-697 [1,0,1,0,0,0|0,1,0]=3 128 B3R0.1 CCNC Molport-001-787-402 [1,0,1,0,0,0|1,0,0]=3 129 B3R0.1 CNOC Molport-002-051-971 [1,0,1,0,0,0|1,0,0]=3 130 B3R0.1 COC=O Molport-003-925-521 [1,0,1,0,0,0|1,0,1]=4 131 B3R0.1 CSSC Molport-003-929-787 [1,0,1,0,0,0|1,1,0]=4 132 B3R0.1 ClCCBr Molport-003-927-012 [1,0,1,0,0,0|1,0,0]=3 133 B3R0.1 N#CCCl Molport-000-152-696 [1,0,1,0,0,0|1,0,1]=4 134 B3R0.1 NCCBr Molport-001-759-150 [1,0,1,0,0,0|1,1,0]=4 135 B3R0.1 NCCBr Molport-036-379-908 [1,0,1,0,0,0|1,1,0]=4 136 B3R0.1 NCCCl Molport-001-756-383 [1,0,1,0,0,0|1,0,0]=3 137 B3R0.1 NCCCl Molport-001-786-398 [1,0,1,0,0,0|1,0,0]=3 138 B3R0.1 NCCN Molport-001-783-384 [1,0,1,0,0,0|2,0,0]=4 139 B3R0.1 O=CCCl Molport-001-768-825 [1,0,1,0,0,0|0,0,2]=4 140 B3R0.1 OCCBr Molport-001-779-800 [1,0,1,0,0,0|0,1,0]=3 141 B3R0.1 OCCF Molport-001-771-679 [1,0,1,0,0,0|0,1,0]=3 142 B3R0.1 OCCI Molport-001-789-445 [1,0,1,0,0,0|0,1,0]=3 143 B3R0.1 OCCS Molport-003-938-002 [1,0,1,0,0,0|1,0,0]=3 144 B3R0.1 SCCS Molport-001-781-684 [1,0,1,0,0,0|1,1,0]=4 145 B3R0.1 [O-]CC[O-] Molport-003-899-211 [1,0,1,0,0,0|1,0,1]=4 146 B3R0.2 CC(=O)O Molport-000-871-575 [1,0,1,0,0,0|1,0,1]=4 147 B3R0.2 CC(=O)O Molport-003-925-310 [1,0,1,0,0,0|1,0,1]=4 148 B3R0.2 CC(C)Br Molport-001-779-707 [1,0,1,0,0,0|1,0,0]=3 149 B3R0.2 CC(C)Cl Molport-003-925-224 [1,0,1,0,0,0|1,0,0]=3 150 B3R0.2 CC(C)I Molport-001-768-395 [1,0,1,0,0,0|1,0,0]=3 151 B3R0.2 CC(C)N Molport-001-791-744 [1,0,1,0,0,0|1,0,0]=3 152 B3R0.2 CC(C)N Molport-009-198-777 [1,0,1,0,0,0|1,0,0]=3 153 B3R0.2 CC(C)O Molport-000-871-957 [1,0,1,0,0,0|0,0,0]=2 154 B3R0.2 CC(C)S Molport-003-935-617 [1,0,1,0,0,0|0,1,0]=3 155 B3R0.2 CN(C)N Molport-001-779-938 [1,0,1,0,0,0|2,0,0]=4 156 B3R0.2 CS(=O)C Molport-002-317-295 [1,0,1,0,0,0|1,0,1]=4 157 B3R0.2 C[S+](C)C Molport-003-855-330 [1,0,1,0,0,0|2,0,0]=4 158 B3R1.1 C1CS1 Molport-001-782-825 [2,0,0,0,0,0|0,1,0]=3 159 B5R0.1 CC(C)CC=O Molport-001-787-528 [0,1,1,0,0,0|2,0,0]=4 160 B5R0.1 CC(C)CCBr Molport-000-875-341 [0,1,1,0,0,0|1,1,0]=4 161 B5R0.1 CC(C)CCCl Molport-001-783-738 [0,1,1,0,0,0|1,0,0]=3 162 B5R0.1 CC(C)CCI Molport-001-770-162 [0,1,1,0,0,0|1,1,0]=4 163 B5R0.1 CC(C)CCN Molport-003-927-223 [0,1,1,0,0,0|2,0,0]=4 164 B5R0.1 CC(C)CCO Molport-001-793-103 [0,1,1,0,0,0|2,0,0]=4 165 B5R0.1 CC(O)CCO Molport-003-927-418 [0,1,1,0,0,0|1,0,0]=3 166 B5R0.1 CC(O)CNN Molport-006-192-132 [0,1,1,0,0,0|1,0,0]=3 167 B5R0.1 CCC[C@H](C)N Molport-039-014-155 [0,1,1,0,0,0|2,0,0]=4 168 B5R0.1 CNCC(C)F Molport-042-670-111 [0,1,1,0,0,0|2,0,0]=4 169 B5R0.1 CNCC(C)O Molport-004-285-746 [0,1,1,0,0,0|1,0,0]=3 170 B5R0.1 COCC(C)O Molport-001-793-107 [0,1,1,0,0,0|1,0,0]=3 171 B5R0.1 O=C(O)CCCl Molport-000-871-656 [0,1,1,0,0,0|1,0,1]=4 172 B5R0.3 BrCC(Br)CBr Molport-001-779-772 [0,1,1,0,0,0|1,1,0]=4 173 B5R0.3 C#CC(C)CN Molport-046-425-880 [0,1,1,0,0,0|2,0,0]=4 174 B5R0.3 C=CC(O)CBr Molport-035-775-534 [0,1,1,0,0,0|0,1,1]=4 175 B5R0.3 C=CC(O)CC Molport-001-792-065 [0,1,1,0,0,0|1,0,1]=4 176 B5R0.3 C=CC(O)CN Molport-000-001-157 [0,1,1,0,0,0|1,0,1]=4 177 B5R0.3 CCC(C)CO Molport-001-783-235 [0,1,1,0,0,0|1,0,0]=3 178 B5R0.3 CCC(N)CC Molport-001-759-279 [0,1,1,0,0,0|2,0,0]=4 179 B5R0.3 CCC(N)CC Molport-004-443-422 [0,1,1,0,0,0|2,0,0]=4 180 B5R0.3 CCC(N)CO Molport-003-925-553 [0,1,1,0,0,0|2,0,0]=4 181 B5R0.3 CC[C@@H](O)CN Molport-000-001-215 [0,1,1,0,0,0|1,0,0]=3 182 B5R0.3 CNC(=O)CCl Molport-000-679-703 [0,1,1,0,0,0|0,0,2]=4 183 B5R0.3 CNC(C)CO Molport-009-200-591 [0,1,1,0,0,0|2,0,0]=4 184 B5R0.3 COC(=O)CCl Molport-000-871-801 [0,1,1,0,0,0|0,0,2]=4 185 B5R0.3 C[C@@H](CN)CO Molport-023-282-274 [0,1,1,0,0,0|1,0,0]=3 186 B5R0.3 N#CC(Cl)CCl Molport-006-114-537 [0,1,1,0,0,0|1,0,1]=4 187 B5R0.3 N/C(=N\O)/CCl Molport-002-469-130 [0,1,1,0,0,0|1,0,1]=4 188 B5R0.3 NC(CO)CO Molport-001-768-923 [0,1,1,0,0,0|2,0,0]=4 189 B5R0.3 NCC(O)CF Molport-037-963-032 [0,1,1,0,0,0|0,1,0]=3 190 B5R0.3 O=C(CCl)CCl Molport-001-766-690 [0,1,1,0,0,0|0,0,2]=4 191 B5R0.3 O=C[C@@H](O)CO Molport-003-983-961 [0,1,1,0,0,0|1,0,1]=4 192 B5R0.3 OC(CCl)CCl Molport-001-779-733 [0,1,1,0,0,0|0,0,0]=2 193 B5R0.3 OCC(Cl)CO Molport-006-111-471 [0,1,1,0,0,0|2,0,0]=4 194 B5R0.3 OCC(O)CCl Molport-001-779-558 [0,1,1,0,0,0|0,0,0]=2 195 B5R0.4 C#CC(C)(C)O Molport-000-931-514 [0,1,1,0,0,0|1,0,1]=4 196 B5R0.4 C#CC(C)(C)O Molport-002-943-428 [0,1,1,0,0,0|1,0,1]=4 197 B5R0.4 CC(C)(N)CN Molport-001-792-136 [0,1,1,0,0,0|2,0,0]=4 198 B5R0.4 CC(C)(O)C#N Molport-000-871-976 [0,1,1,0,0,0|1,0,1]=4 199 B5R0.4 CC(C)(O)CO Molport-001-785-851 [0,1,1,0,0,0|1,0,0]=3 200 B5R0.4 CC(C)(S)CN Molport-018-617-137 [0,1,1,0,0,0|1,1,0]=4 201 B5R0.4 C[Si](C)(C)CCl Molport-000-002-814 [0,1,1,0,0,0|1,1,0]=4 202 B5R0.5 CC(=O)C(C)Cl Molport-001-791-821 [0,1,1,0,0,0|0,0,2]=4 203 B5R0.5 CC(=O)C(C)O Molport-001-785-644 [0,1,1,0,0,0|1,0,1]=4 204 B5R0.5 CC(C)C(=O)Cl Molport-001-759-229 [0,1,1,0,0,0|1,0,1]=4 205 B5R0.5 CC(N)C(C)N Molport-019-955-592 [0,1,1,0,0,0|2,0,0]=4 206 B5R0.5 CC(O)C(=O)N Molport-001-551-223 [0,1,1,0,0,0|1,0,1]=4 207 B5R0.5 C[C@H](O)[13C](=O)[O-] Molport-051-692-338 [0,1,1,0,0,0|1,0,1]=4 208 B5R0.5 O=C(O)C(Cl)Cl Molport-001-779-958 [0,1,1,0,0,0|1,0,1]=4 209 B5R0.5 [13CH3][C@H](O)C(=O)[O-] Molport-003-934-622 [0,1,1,0,0,0|1,0,1]=4 210 B5R0.2 BrCCCCBr Molport-000-153-861 [0,1,1,0,0,0|1,1,0]=4 211 B5R0.2 C#CCCNC Molport-046-425-329 [0,1,1,0,0,0|2,0,0]=4 212 B5R0.2 C=CCCCN Molport-006-390-492 [0,1,1,0,0,0|2,0,0]=4 213 B5R0.2 C=CCCCN Molport-027-835-800 [0,1,1,0,0,0|2,0,0]=4 214 B5R0.2 C=CCCNC Molport-044-554-395 [0,1,1,0,0,0|2,0,0]=4 215 B5R0.2 CC#CCCN Molport-027-845-750 [0,1,1,0,0,0|2,0,0]=4 216 B5R0.2 CC/C=C\CO Molport-000-150-381 [0,1,1,0,0,0|1,0,1]=4 217 B5R0.2 CCCCC=O Molport-001-768-920 [0,1,1,0,0,0|1,0,1]=4 218 B5R0.2 CCCCCBr Molport-001-768-933 [0,1,1,0,0,0|1,1,0]=4 219 B5R0.2 CCCCCC Molport-016-899-216 [0,1,1,0,0,0|2,0,0]=4 220 B5R0.2 CCCCCI Molport-001-783-755 [0,1,1,0,0,0|1,1,0]=4 221 B5R0.2 CCCCCN Molport-001-759-278 [0,1,1,0,0,0|2,0,0]=4 222 B5R0.2 CCCCNC Molport-001-787-403 [0,1,1,0,0,0|2,0,0]=4 223 B5R0.2 CCNCCCl Molport-039-028-247 [0,1,1,0,0,0|1,0,0]=3 224 B5R0.2 CCNCCO Molport-001-791-880 [0,1,1,0,0,0|1,0,0]=3 225 B5R0.2 CCOCCBr Molport-000-151-989 [0,1,1,0,0,0|0,1,0]=3 226 B5R0.2 CCSCCO Molport-000-155-261 [0,1,1,0,0,0|1,0,0]=3 227 B5R0.2 CNCCC#N Molport-001-791-512 [0,1,1,0,0,0|2,0,0]=4 228 B5R0.2 CNCCCN Molport-000-004-740 [0,1,1,0,0,0|2,0,0]=4 229 B5R0.2 CNCCNC Molport-046-852-851 [0,1,1,0,0,0|2,0,0]=4 230 B5R0.2 CNCCOC Molport-003-993-522 [0,1,1,0,0,0|1,0,0]=3 231 B5R0.2 CNCCSC Molport-011-940-627 [0,1,1,0,0,0|1,1,0]=4 232 B5R0.2 COCCC#N Molport-000-183-599 [0,1,1,0,0,0|1,0,0]=3 233 B5R0.2 COCCCN Molport-001-794-234 [0,1,1,0,0,0|1,0,0]=3 234 B5R0.2 COCCCO Molport-001-756-376 [0,1,1,0,0,0|1,0,0]=3 235 B5R0.2 COCCOC Molport-003-928-695 [0,1,1,0,0,0|1,0,0]=3 236 B5R0.2 COCCON Molport-008-604-171 [0,1,1,0,0,0|1,0,0]=3 237 B5R0.2 COCN=C=O Molport-004-336-498 [0,1,1,0,0,0|1,0,1]=4 238 B5R0.2 N#CCCCCl Molport-001-757-196 [0,1,1,0,0,0|1,0,0]=3 239 B5R0.2 N#CCCCO Molport-003-918-670 [0,1,1,0,0,0|1,0,0]=3 240 B5R0.2 NCC#CCO Molport-023-198-595 [0,1,1,0,0,0|1,0,1]=4 241 B5R0.2 NCCCCN Molport-001-781-809 [0,1,1,0,0,0|2,0,0]=4 242 B5R0.2 NCCCCS Molport-028-956-912 [0,1,1,0,0,0|1,1,0]=4 243 B5R0.2 NOCCON Molport-046-837-250 [0,1,1,0,0,0|2,0,0]=4 244 B5R0.2 O=C=NCCCl Molport-001-732-448 [0,1,1,0,0,0|0,0,2]=4 245 B5R0.2 OCC#CCO Molport-003-927-455 [0,1,1,0,0,0|1,0,1]=4 246 B5R0.2 OCCCCCl Molport-001-757-740 [0,1,1,0,0,0|0,0,0]=2 247 B5R1.5 CC1(CN1)C Molport-001-781-472 [1,1,0,0,0,0|1,0,0]=3 248 B5R1.5 CC1(CO1)C Molport-000-156-531 [1,1,0,0,0,0|0,0,0]=2 249 B7R1.6 CCNC1CCC1 Molport-011-673-300 [0,1,0,0,0,1|2,0,0]=4 250 B7R1.6 FCCC1CNC1 Molport-046-676-019 [0,1,0,0,0,1|1,1,0]=4 251 B7R1.18 C[C@H](N)C1CCC1 Molport-029-939-234 [0,1,0,0,0,1|2,0,0]=4 252 B7R1.18 FC(F)C1CNC1 Molport-023-231-696 [0,1,0,0,0,1|1,1,0]=4 253 B7R1.25 C#CC1(COC1)O Molport-020-016-955 [0,1,0,0,0,1|1,0,1]=4 254 B7R1.25 CC1(CCC1)CBr Molport-026-972-006 [0,1,0,0,0,1|1,1,0]=4 255 B7R1.25 CC1(CCC1)CO Molport-009-199-738 [0,1,0,0,0,1|2,0,0]=4 256 B7R1.25 CC1(COC1)CI Molport-009-196-111 [0,1,0,0,0,1|0,1,0]=3 257 B7R1.25 CC1(COC1)CN Molport-002-678-833 [0,1,0,0,0,1|1,0,0]=3 258 B7R1.25 CC1(COC1)CO Molport-001-791-448 [0,1,0,0,0,1|1,0,0]=3 259 B7R1.7 CCCCC1CO1 Molport-003-811-664 [0,2,0,0,0,0|1,0,0]=3 260 B7R1.7 CCCNC1CC1 Molport-004-307-330 [0,2,0,0,0,0|2,0,0]=4 261 B7R1.7 O=C=NCC1CC1 Molport-013-117-774 [0,2,0,0,0,0|2,0,0]=4 262 B7R1.7 OCCNC1CC1 Molport-004-322-439 [0,2,0,0,0,0|2,0,0]=4 263 B7R1.20 CN(C)CC1CC1 Molport-046-842-919 [0,2,0,0,0,0|2,0,0]=4 264 B7R1.20 O=C(O)CC1CC1 Molport-000-153-788 [0,2,0,0,0,0|2,0,0]=4 265 B7R1.20 O=[N+]([O-])CC1CC1 Molport-035-929-591 [0,2,0,0,0,0|2,0,0]=4 266 B7R1.21 CCCC1(CC1)N Molport-029-997-538 [0,2,0,0,0,0|2,0,0]=4 267 B7R1.22 CC(NN)C1CC1 Molport-016-633-872 [0,2,0,0,0,0|2,0,0]=4 268 B7R1.22 CCC(N)C1CC1 Molport-011-913-977 [0,2,0,0,0,0|2,0,0]=4 269 B7R1.22 N#CC(N)C1CC1 Molport-016-636-733 [0,2,0,0,0,0|2,0,0]=4 270 B7R1.22 NC(CO)C1CC1 Molport-020-166-670 [0,2,0,0,0,0|2,0,0]=4 271 B7R1.22 O=C(CBr)C1CC1 Molport-004-760-246 [0,2,0,0,0,0|1,1,0]=4 272 B7R1.22 O=C(CO)C1CC1 Molport-020-682-299 [0,2,0,0,0,0|2,0,0]=4 273 B7R1.19 NC1(CC1)C(F)F Molport-035-789-642 [0,2,0,0,0,0|1,1,0]=4 274 B7R1.27 CC1(CC1Br)CO Molport-004-781-442 [0,2,0,0,0,0|2,0,0]=4 275 B7R1.29 CCC1(CC1)CN Molport-023-149-162 [0,2,0,0,0,0|2,0,0]=4 276 B7R1.29 N#CC1(CC1)CO Molport-006-068-959 [0,2,0,0,0,0|2,0,0]=4 277 B7R1.29 NCC1(CC1)CO Molport-006-390-634 [0,2,0,0,0,0|2,0,0]=4 278 B7R1.29 OCC1(CC1)CO Molport-001-769-880 [0,2,0,0,0,0|2,0,0]=4 279 B7R1.9 CCC1CC1CN Molport-039-240-433 [0,2,0,0,0,0|2,0,0]=4 280 B7R1.9 NCC1C[C@@H]1CO Molport-051-995-332 [0,2,0,0,0,0|2,0,0]=4 281 B7R1.23 OCC1CC1(F)F Molport-000-160-066 [0,2,0,0,0,0|2,0,0]=4 282 B7R1.26 FC(F)(F)[C@@H]1CO1 Molport-000-006-556 [0,2,0,0,0,0|0,1,0]=3 283 B7R1.26 FC(F)(F)[C@H]1CO1 Molport-023-222-988 [0,2,0,0,0,0|0,1,0]=3 284 B5R1.2 BrC1CCC1 Molport-001-790-365 [0,0,1,1,0,0|2,0,0]=4 285 B5R1.2 C[C@H]1CCN1 Molport-046-162-416 [0,0,1,1,0,0|2,0,0]=4 286 B5R1.2 NC1CCC1 Molport-003-926-919 [0,0,1,1,0,0|2,0,0]=4 287 B5R1.2 OC1CNC1 Molport-001-794-113 [0,0,1,1,0,0|1,0,0]=3 288 B5R1.2 OC1COC1 Molport-006-701-036 [0,0,1,1,0,0|1,0,0]=3 289 B5R1.2 OC1CSC1 Molport-006-119-448 [0,0,1,1,0,0|1,0,0]=3 290 B5R1.1 C1=CCCC1 Molport-001-759-289 [0,0,1,1,0,0|2,0,0]=4 291 B5R1.1 C1CCCC1 Molport-001-789-854 [0,0,1,1,0,0|2,0,0]=4 292 B5R1.1 C1CCSC1 Molport-000-158-587 [0,0,1,1,0,0|1,1,0]=4 293 B7R2.13 C1CC2OC2C1 Molport-001-768-533 [0,1,0,1,0,0|1,0,0]=3 294 B7R1.1 BrCC1CCCC1 Molport-006-709-634 [0,0,0,0,0,2|1,1,0]=4 295 B7R1.1 BrCC1OCCO1 Molport-001-792-035 [0,0,0,0,0,2|0,1,0]=3 296 B7R1.1 CCC1CCCN1 Molport-000-003-688 [0,0,0,0,0,2|2,0,0]=4 297 B7R1.1 CNC1CCOC1 Molport-009-198-044 [0,0,0,0,0,2|2,0,0]=4 298 B7R1.1 COC1CNOC1 Molport-051-547-772 [0,0,0,0,0,2|2,0,0]=4 299 B7R1.1 ClCC1=CC=NO1 Molport-002-744-218 [0,0,0,0,0,2|0,0,2]=4 300 B7R1.1 ClCC1=COC=N1 Molport-023-330-190 [0,0,0,0,0,2|0,0,2]=4 301 B7R1.1 ClCC1=NC=CO1 Molport-006-727-699 [0,0,0,0,0,2|0,0,2]=4 302 B7R1.1 ClCC1=NC=NO1 Molport-005-311-904 [0,0,0,0,0,2|0,0,2]=4 303 B7R1.1 ClCC1=NCCN1 Molport-000-159-422 [0,0,0,0,0,2|1,0,1]=4 304 B7R1.1 ClCC1=NN=CO1 Molport-003-657-870 [0,0,0,0,0,2|0,0,2]=4 305 B7R1.1 ClCC1=NOC=C1 Molport-000-527-133 [0,0,0,0,0,2|0,0,2]=4 306 B7R1.1 ClCC1=NOC=N1 Molport-000-146-266 [0,0,0,0,0,2|0,0,2]=4 307 B7R1.1 ClCC1CCCN1 Molport-035-716-508 [0,0,0,0,0,2|1,0,0]=3 308 B7R1.1 ClCC1CCCO1 Molport-001-780-261 [0,0,0,0,0,2|0,0,0]=2 309 B7R1.1 ClCC1OCCO1 Molport-000-871-657 [0,0,0,0,0,2|0,0,0]=2 310 B7R1.1 FCC1CCCN1 Molport-019-930-688 [0,0,0,0,0,2|1,1,0]=4 311 B7R1.1 NCC1CCCC1 Molport-003-732-830 [0,0,0,0,0,2|2,0,0]=4 312 B7R1.1 NCC1CCCO1 Molport-001-759-275 [0,0,0,0,0,2|1,0,0]=3 313 B7R1.1 O=CC1CCOC1 Molport-001-794-100 [0,0,0,0,0,2|1,0,1]=4 314 B7R1.1 OCC1C=CCN1 Molport-016-631-209 [0,0,0,0,0,2|2,0,0]=4 315 B7R1.1 OCC1CCCO1 Molport-001-782-161 [0,0,0,0,0,2|1,0,0]=3 316 B7R1.1 OCC1CCNC1 Molport-000-006-170 [0,0,0,0,0,2|2,0,0]=4 317 B7R1.1 OC[C@@H]1CCCO1 Molport-006-708-170 [0,0,0,0,0,2|1,0,0]=3 318 B7R1.1 OC[C@H]1CCCN1 Molport-000-139-019 [0,0,0,0,0,2|2,0,0]=4