0 B3R0.2 CC(=N)N Molport-000-000-404 [0,0,0,0,0,0|4,0,0]=4 1 B3R0.2 CC(=N)N Molport-000-872-001 [0,0,0,0,0,0|4,0,0]=4 2 B3R0.2 CC(=N)S Molport-006-109-601 [0,0,0,0,0,0|3,1,0]=4 3 B3R0.2 CC(=O)O Molport-000-871-575 [0,0,0,0,0,0|2,0,0]=2 4 B3R0.2 CC(=O)O Molport-003-925-310 [0,0,0,0,0,0|2,0,0]=2 5 B3R0.2 CC(=O)S Molport-001-781-634 [0,0,0,0,0,0|2,1,0]=3 6 B3R0.2 CC(=O)[O-] Molport-006-169-563 [0,0,0,0,0,0|2,0,0]=2 7 B3R0.2 CC(=O)[O-] Molport-023-223-803 [0,0,0,0,0,0|2,0,0]=2 8 B3R0.2 CC(=O)[O-] Molport-046-852-321 [0,0,0,0,0,0|2,0,0]=2 9 B3R0.2 CC(C)Br Molport-001-779-707 [0,0,0,0,0,0|4,0,0]=4 10 B3R0.2 CC(C)Cl Molport-003-925-224 [0,0,0,0,0,0|4,0,0]=4 11 B3R0.2 CC(C)I Molport-001-768-395 [0,0,0,0,0,0|4,0,0]=4 12 B3R0.2 CC(C)N Molport-001-791-744 [0,0,0,0,0,0|4,0,0]=4 13 B3R0.2 CC(C)N Molport-009-198-777 [0,0,0,0,0,0|4,0,0]=4 14 B3R0.2 CC(C)O Molport-000-871-957 [0,0,0,0,0,0|3,0,0]=3 15 B3R0.2 CC(C)S Molport-003-935-617 [0,0,0,0,0,0|3,1,0]=4 16 B3R0.2 CN(C)N Molport-001-779-938 [0,0,0,0,0,0|3,0,1]=4 17 B3R0.2 CS(=O)C Molport-002-317-295 [0,0,0,0,0,0|3,0,0]=3 18 B3R0.2 C[N+](=O)[O-] Molport-000-871-968 [0,0,0,0,0,0|1,0,0]=1 19 B3R0.2 C[S+](C)C Molport-003-855-330 [0,0,0,0,0,0|4,0,0]=4 20 B3R0.2 Cl[Pt-](Cl)Cl Molport-027-836-917 [0,0,0,0,0,0|4,0,0]=4 21 B3R0.2 N=C(N)N Molport-001-779-722 [0,0,0,0,0,0|4,0,0]=4 22 B3R0.2 N=C(N)N Molport-002-317-307 [0,0,0,0,0,0|4,0,0]=4 23 B3R0.2 N=C(N)N Molport-003-928-294 [0,0,0,0,0,0|4,0,0]=4 24 B3R0.2 N=C([NH3+])[NH3+] Molport-047-739-913 [0,0,0,0,0,0|4,0,0]=4 25 B3R0.2 NC(=S)N Molport-000-872-069 [0,0,0,0,0,0|3,1,0]=4 26 B3R0.2 NC(=[Se])N Molport-001-786-012 [0,0,0,0,0,0|3,1,0]=4 27 B3R0.2 N[13C](=O)N Molport-003-929-552 [0,0,0,0,0,0|3,0,0]=3 28 B3R0.2 O=C([O-])O Molport-003-926-303 [0,0,0,0,0,0|1,0,0]=1 29 B3R0.2 O=C([O-])[O-] Molport-000-165-506 [0,0,0,0,0,0|1,0,1]=2 30 B3R0.2 O=[13C]([O-])O Molport-051-972-114 [0,0,0,0,0,0|1,0,0]=1 31 B3R0.2 O=[N+]([O-])O Molport-003-925-708 [0,0,0,0,0,0|0,0,0]=0 32 B3R0.2 O=[N+]([O-])[O-] Molport-006-118-115 [0,0,0,0,0,0|0,0,1]=1 33 B3R0.2 OB(O)O Molport-003-925-997 [0,0,0,0,0,0|1,0,2]=3 34 B3R0.2 [13CH3][13C](=O)[O-] Molport-003-929-150 [0,0,0,0,0,0|2,0,0]=2 35 B3R0.2 [15NH2]C(=O)[15NH2] Molport-003-929-929 [0,0,0,0,0,0|3,0,0]=3 36 B2R0.1 BrCBr Molport-001-779-708 [1,0,0,0,0,0|3,0,0]=4 37 B2R0.1 CC=O Molport-001-783-184 [1,0,0,0,0,0|2,0,0]=3 38 B2R0.1 CCBr Molport-000-872-074 [1,0,0,0,0,0|3,0,0]=4 39 B2R0.1 CCI Molport-001-783-754 [1,0,0,0,0,0|3,0,0]=4 40 B2R0.1 CCN Molport-003-925-271 [1,0,0,0,0,0|3,0,0]=4 41 B2R0.1 CCO Molport-001-785-844 [1,0,0,0,0,0|2,0,0]=3 42 B2R0.1 CNN Molport-003-920-871 [1,0,0,0,0,0|2,0,1]=4 43 B2R0.1 CNO Molport-002-475-845 [1,0,0,0,0,0|1,0,1]=3 44 B2R0.1 CSC Molport-003-926-861 [1,0,0,0,0,0|3,0,0]=4 45 B2R0.1 Cl[Pt+2]Cl Molport-006-167-566 [1,0,0,0,0,0|3,0,0]=4 46 B2R0.1 N#CBr Molport-000-153-709 [1,0,0,0,0,0|3,0,0]=4 47 B2R0.1 O=[13CH][O-] Molport-003-929-092 [1,0,0,0,0,0|1,0,0]=2 48 B2R0.1 O=[Se]=O Molport-001-783-720 [1,0,0,0,0,0|1,0,1]=3 49 B2R0.1 O=[Si]=O Molport-003-927-378 [1,0,0,0,0,0|1,0,1]=3 50 B2R0.1 S=C=S Molport-001-768-563 [1,0,0,0,0,0|1,2,0]=4 51 B2R0.1 [BH3-]C#N Molport-001-768-451 [1,0,0,0,0,0|3,0,0]=4 52 B4R0.1 C#CC(C)O Molport-001-756-893 [0,1,0,0,0,0|3,0,0]=4 53 B4R0.1 C/C(=N/O)/N Molport-000-003-943 [0,1,0,0,0,0|3,0,0]=4 54 B4R0.1 C=CC(=O)C Molport-003-927-327 [0,1,0,0,0,0|3,0,0]=4 55 B4R0.1 C=CC(=O)N Molport-001-792-135 [0,1,0,0,0,0|3,0,0]=4 56 B4R0.1 C=CC(=O)O Molport-000-871-611 [0,1,0,0,0,0|2,0,0]=3 57 B4R0.1 CC(=O)C=O Molport-001-769-006 [0,1,0,0,0,0|2,0,1]=4 58 B4R0.1 CC(=O)CCl Molport-000-871-814 [0,1,0,0,0,0|3,0,0]=4 59 B4R0.1 CC(=O)C[NH3+] Molport-002-330-020 [0,1,0,0,0,0|3,0,0]=4 60 B4R0.1 CC(=O)NBr Molport-001-781-467 [0,1,0,0,0,0|3,0,0]=4 61 B4R0.1 CC(=O)NN Molport-000-882-947 [0,1,0,0,0,0|3,0,0]=4 62 B4R0.1 CC(C)C=O Molport-001-787-562 [0,1,0,0,0,0|3,0,0]=4 63 B4R0.1 CC(C)CO Molport-001-785-833 [0,1,0,0,0,0|3,0,0]=4 64 B4R0.1 CC(O)CCl Molport-001-792-062 [0,1,0,0,0,0|3,0,0]=4 65 B4R0.1 CC(O)CO Molport-001-768-866 [0,1,0,0,0,0|2,0,1]=4 66 B4R0.1 CCC(=O)N Molport-003-926-455 [0,1,0,0,0,0|3,0,0]=4 67 B4R0.1 CCC(=O)O Molport-000-871-576 [0,1,0,0,0,0|2,0,0]=3 68 B4R0.1 CCC(C)O Molport-001-783-136 [0,1,0,0,0,0|3,0,0]=4 69 B4R0.1 CCS(=O)O Molport-038-082-949 [0,1,0,0,0,0|2,0,0]=3 70 B4R0.1 CNC(=O)N Molport-001-783-302 [0,1,0,0,0,0|3,0,0]=4 71 B4R0.1 COC(=N)N Molport-001-781-758 [0,1,0,0,0,0|3,0,0]=4 72 B4R0.1 COC(=O)Cl Molport-001-791-964 [0,1,0,0,0,0|2,0,0]=3 73 B4R0.1 COC(Cl)Cl Molport-003-930-857 [0,1,0,0,0,0|3,0,0]=4 74 B4R0.1 C[C@H](O)CN Molport-001-794-231 [0,1,0,0,0,0|3,0,0]=4 75 B4R0.1 NC(=O)CO Molport-001-761-952 [0,1,0,0,0,0|2,0,0]=3 76 B4R0.1 NC(=O)CS Molport-000-144-354 [0,1,0,0,0,0|2,1,0]=4 77 B4R0.1 NCC(=O)O Molport-003-936-530 [0,1,0,0,0,0|2,0,0]=3 78 B4R0.1 NC[13C](=O)O Molport-003-929-093 [0,1,0,0,0,0|2,0,0]=3 79 B4R0.1 NNC(=O)N Molport-001-779-765 [0,1,0,0,0,0|3,0,0]=4 80 B4R0.1 N[13CH2][13C](=O)O Molport-003-929-140 [0,1,0,0,0,0|2,0,0]=3 81 B4R0.1 O=C(Br)CBr Molport-000-871-985 [0,1,0,0,0,0|3,0,0]=4 82 B4R0.1 O=C(Cl)CCl Molport-000-872-020 [0,1,0,0,0,0|3,0,0]=4 83 B4R0.1 O=C(O)CBr Molport-001-769-533 [0,1,0,0,0,0|2,0,0]=3 84 B4R0.1 O=C(O)CCl Molport-000-871-803 [0,1,0,0,0,0|2,0,0]=3 85 B4R0.1 O=C(O)CI Molport-002-990-500 [0,1,0,0,0,0|2,0,0]=3 86 B4R0.1 O=C(O)CO Molport-044-193-651 [0,1,0,0,0,0|1,0,1]=3 87 B4R0.1 O=C(O)CS Molport-003-935-930 [0,1,0,0,0,0|1,1,0]=3 88 B4R0.1 O=CC(=O)O Molport-001-788-315 [0,1,0,0,0,0|1,0,1]=3 89 B4R0.1 OCC(F)F Molport-000-154-350 [0,1,0,0,0,0|3,0,0]=4 90 B4R0.1 [15NH2]CC(=O)O Molport-003-929-547 [0,1,0,0,0,0|2,0,0]=3 91 B4R0.1 [15NH2][13CH2]C(=O)O Molport-003-929-550 [0,1,0,0,0,0|2,0,0]=3 92 B4R0.3 CC(C)(C)O Molport-001-783-135 [0,1,0,0,0,0|3,0,0]=4 93 B4R0.3 CC(C)(C)[O-] Molport-001-759-820 [0,1,0,0,0,0|3,0,0]=4 94 B4R0.3 CS(=N)(=O)C Molport-023-282-287 [0,1,0,0,0,0|3,0,0]=4 95 B4R0.3 CS(=O)(=O)O Molport-002-461-882 [0,1,0,0,0,0|1,0,1]=3 96 B4R0.3 CS(=O)(C)C Molport-011-259-014 [0,1,0,0,0,0|3,0,0]=4 97 B4R0.3 C[As](=O)(C)[O-] Molport-020-006-846 [0,1,0,0,0,0|1,1,0]=3 98 B4R0.3 C[N+](C)(C)[O-] Molport-003-939-726 [0,1,0,0,0,0|2,0,1]=4 99 B4R0.3 C[S+](=O)(C)C Molport-001-766-715 [0,1,0,0,0,0|3,0,0]=4 100 B4R0.3 NS(=O)(=O)N Molport-000-146-081 [0,1,0,0,0,0|2,0,1]=4 101 B4R0.3 NS(=O)(=O)O Molport-001-790-656 [0,1,0,0,0,0|1,0,1]=3 102 B4R0.3 O=P(Br)(Br)Br Molport-001-768-771 [0,1,0,0,0,0|2,1,0]=4 103 B4R0.3 O=P([O-])(O)O Molport-003-925-400 [0,1,0,0,0,0|0,1,0]=2 104 B4R0.3 O=S(=O)(Cl)Cl Molport-001-790-559 [0,1,0,0,0,0|2,0,1]=4 105 B4R0.3 O=S(=O)(O)O Molport-003-909-730 [0,1,0,0,0,0|1,0,1]=3 106 B4R0.3 O=S(=O)(O)O Molport-003-927-811 [0,1,0,0,0,0|1,0,1]=3 107 B4R0.3 O=S(=O)([O-])F Molport-001-776-521 [0,1,0,0,0,0|1,0,1]=3 108 B4R0.3 O=[Mo](=O)([O-])[O-] Molport-006-110-057 [0,1,0,0,0,0|1,0,1]=3 109 B4R0.3 O=[V]([O-])([O-])[O-] Molport-023-276-586 [0,1,0,0,0,0|1,0,1]=3 110 B4R1.2 CC1CO1 Molport-003-925-881 [0,0,0,1,0,0|3,0,0]=4 111 B1R0.1 CI Molport-000-156-457 [2,0,0,0,0,0|2,0,0]=4 112 B1R0.1 CS Molport-003-929-451 [2,0,0,0,0,0|1,1,0]=4 113 B1R0.1 C[S-] Molport-001-766-727 [2,0,0,0,0,0|1,1,0]=4 114 B1R0.1 [Li]Cl Molport-003-929-506 [2,0,0,0,0,0|2,0,0]=4 115 B1R0.1 [Li]O Molport-001-789-679 [2,0,0,0,0,0|1,0,0]=3 116 B1R0.1 [Na]I Molport-047-739-920 [2,0,0,0,0,0|2,0,0]=4 117 B1R0.1 [O-]Cl Molport-001-781-857 [2,0,0,0,0,0|1,0,0]=3 118 B3R0.1 C#CCO Molport-001-785-544 [1,1,0,0,0,0|2,0,0]=4 119 B3R0.1 C=CC=O Molport-001-779-683 [1,1,0,0,0,0|2,0,0]=4 120 B3R0.1 CCC=O Molport-001-769-727 [1,1,0,0,0,0|2,0,0]=4 121 B3R0.1 CNC=O Molport-003-934-095 [1,1,0,0,0,0|1,0,1]=4 122 B3R0.1 CNOC Molport-002-051-971 [1,1,0,0,0,0|1,0,1]=4 123 B3R0.1 COC=O Molport-003-925-521 [1,1,0,0,0,0|1,0,0]=3 124 B3R0.1 N/C=N/O Molport-000-003-765 [1,1,0,0,0,0|1,0,1]=4 125 B3R0.1 O=CC=O Molport-001-780-154 [1,1,0,0,0,0|1,0,1]=4 126 B3R0.1 O=CCCl Molport-001-768-825 [1,1,0,0,0,0|2,0,0]=4 127 B3R0.1 O=NO[Na] Molport-027-837-995 [1,1,0,0,0,0|0,0,1]=3 128 B3R0.1 OCCBr Molport-001-779-800 [1,1,0,0,0,0|2,0,0]=4 129 B3R0.1 OCCF Molport-001-771-679 [1,1,0,0,0,0|2,0,0]=4 130 B3R0.1 OCCI Molport-001-789-445 [1,1,0,0,0,0|2,0,0]=4 131 B3R0.1 OCCS Molport-003-938-002 [1,1,0,0,0,0|1,1,0]=4 132 B3R0.1 [O-]CC[O-] Molport-003-899-211 [1,1,0,0,0,0|1,0,1]=4 133 B5R0.1 C=COC(=O)C Molport-001-781-486 [0,2,0,0,0,0|2,0,0]=4 134 B5R0.1 CCCC(=O)O Molport-001-769-669 [0,2,0,0,0,0|2,0,0]=4 135 B5R0.1 CCC[N+](=O)[O-] Molport-003-938-817 [0,2,0,0,0,0|1,0,0]=3 136 B5R0.1 CCOC(=O)Cl Molport-000-872-022 [0,2,0,0,0,0|2,0,0]=4 137 B5R0.1 CNCC(=O)O Molport-006-112-192 [0,2,0,0,0,0|2,0,0]=4 138 B5R0.1 COCC(=O)Cl Molport-001-794-226 [0,2,0,0,0,0|2,0,0]=4 139 B5R0.1 COCC(=O)N Molport-003-909-731 [0,2,0,0,0,0|2,0,0]=4 140 B5R0.1 CONC(=O)N Molport-002-861-189 [0,2,0,0,0,0|2,0,0]=4 141 B5R0.1 N#CCC(=O)O Molport-001-785-550 [0,2,0,0,0,0|2,0,0]=4 142 B5R0.1 NC(=O)/C=N/O Molport-003-703-689 [0,2,0,0,0,0|2,0,0]=4 143 B5R0.1 NOCC(=O)O Molport-001-781-549 [0,2,0,0,0,0|1,0,1]=4 144 B5R0.1 O=C(O)/C=C/I Molport-006-717-067 [0,2,0,0,0,0|2,0,0]=4 145 B5R0.1 O=C(O)/C=N/O Molport-003-703-688 [0,2,0,0,0,0|1,0,1]=4 146 B5R0.1 O=C(O)CCBr Molport-000-152-389 [0,2,0,0,0,0|2,0,0]=4 147 B5R0.1 O=C(O)CCCl Molport-000-871-656 [0,2,0,0,0,0|2,0,0]=4 148 B5R0.1 O=C(O)CCO Molport-000-156-380 [0,2,0,0,0,0|1,0,1]=4 149 B5R0.1 O=[N+]([O-])CCO Molport-001-781-992 [0,2,0,0,0,0|0,0,0]=2 150 B5R0.3 C#CC(=O)OC Molport-000-146-149 [0,2,0,0,0,0|2,0,0]=4 151 B5R0.3 C=CC(=O)OC Molport-000-872-066 [0,2,0,0,0,0|2,0,0]=4 152 B5R0.3 CCC(=O)NO Molport-004-345-454 [0,2,0,0,0,0|2,0,0]=4 153 B5R0.3 CCC(=O)OC Molport-003-925-859 [0,2,0,0,0,0|2,0,0]=4 154 B5R0.3 COC(=O)C#N Molport-003-929-193 [0,2,0,0,0,0|2,0,0]=4 155 B5R0.3 COC(=O)CBr Molport-001-791-817 [0,2,0,0,0,0|2,0,0]=4 156 B5R0.3 COC(=O)CCl Molport-000-871-801 [0,2,0,0,0,0|2,0,0]=4 157 B5R0.3 COC(=O)CI Molport-023-282-507 [0,2,0,0,0,0|2,0,0]=4 158 B5R0.3 COC(=O)CO Molport-001-761-942 [0,2,0,0,0,0|1,0,1]=4 159 B5R0.3 COC(=O)CS Molport-003-925-847 [0,2,0,0,0,0|1,1,0]=4 160 B5R0.3 COC(=O)NN Molport-001-640-393 [0,2,0,0,0,0|2,0,0]=4 161 B5R0.3 COC(=O)OC Molport-003-931-791 [0,2,0,0,0,0|1,0,1]=4 162 B5R0.3 NNC(=O)CO Molport-003-847-715 [0,2,0,0,0,0|2,0,0]=4 163 B5R0.3 NNC(=O)NO Molport-003-355-323 [0,2,0,0,0,0|2,0,0]=4 164 B5R0.3 O=C/C(=C/O)/Br Molport-042-672-230 [0,2,0,0,0,0|2,0,0]=4 165 B5R0.3 O=C[C@@H](O)CO Molport-003-983-961 [0,2,0,0,0,0|1,0,1]=4 166 B5R0.4 CS(=O)(=O)NO Molport-008-643-557 [0,2,0,0,0,0|1,0,1]=4 167 B5R0.4 NCP(=O)(O)O Molport-001-789-858 [0,2,0,0,0,0|0,1,1]=4 168 B5R0.4 NCS(=O)(=O)O Molport-001-795-074 [0,2,0,0,0,0|1,0,1]=4 169 B5R0.4 NOS(=O)(=O)O Molport-001-756-369 [0,2,0,0,0,0|1,0,1]=4 170 B5R0.4 O=S(=O)([O-])CCl Molport-002-472-829 [0,2,0,0,0,0|1,0,1]=4 171 B5R0.5 C=C(C)C(=O)O Molport-003-926-862 [0,2,0,0,0,0|2,0,0]=4 172 B5R0.5 C=C(C)C(=O)[O-] Molport-003-925-121 [0,2,0,0,0,0|2,0,0]=4 173 B5R0.5 CC(=O)C(C)O Molport-001-785-644 [0,2,0,0,0,0|2,0,0]=4 174 B5R0.5 CC(=O)[13C](=O)O Molport-047-935-376 [0,2,0,0,0,0|1,0,1]=4 175 B5R0.5 CC(Br)C(=O)O Molport-001-783-816 [0,2,0,0,0,0|2,0,0]=4 176 B5R0.5 CC(C)C(=O)O Molport-001-783-185 [0,2,0,0,0,0|2,0,0]=4 177 B5R0.5 CC(C)[N+](=O)[O-] Molport-001-788-474 [0,2,0,0,0,0|1,0,0]=3 178 B5R0.5 CC(O)C(=O)N Molport-001-551-223 [0,2,0,0,0,0|2,0,0]=4 179 B5R0.5 CC(S)C(=O)O Molport-003-939-593 [0,2,0,0,0,0|1,1,0]=4 180 B5R0.5 C[C@H](O)[13C](=O)[O-] Molport-051-692-338 [0,2,0,0,0,0|1,0,0]=3 181 B5R0.5 C[C@H]([15NH2])C(=O)O Molport-042-682-390 [0,2,0,0,0,0|2,0,0]=4 182 B5R0.5 O=C(O)C(=O)O Molport-006-827-025 [0,2,0,0,0,0|1,0,1]=4 183 B5R0.5 O=C(O)C(Br)Br Molport-003-928-414 [0,2,0,0,0,0|2,0,0]=4 184 B5R0.5 O=C(O)C(Cl)Cl Molport-001-779-958 [0,2,0,0,0,0|2,0,0]=4 185 B5R0.5 O=C(O)C(F)F Molport-000-154-233 [0,2,0,0,0,0|2,0,0]=4 186 B5R0.5 [13CH3]C(N)C(=O)O Molport-051-767-821 [0,2,0,0,0,0|2,0,0]=4 187 B5R0.5 [13CH3][C@H](N)C(=O)O Molport-003-934-833 [0,2,0,0,0,0|2,0,0]=4 188 B5R0.5 [13CH3][C@H](O)C(=O)[O-] Molport-003-934-622 [0,2,0,0,0,0|1,0,0]=3