RInChI=1.00.1S/C19H13BrF3N5O2/c1-11-24-16(27-28(11)10-12-3-2-4-14(20)9-12)18-26-25-17(29-18)13-5-7-15(8-6-13)30-19(21,22)23/h2-9H,10H2,1H3!C30H43O2P/c1-22(2)31-27-19-13-20-28(32-23(3)4)30(27)26-18-11-12-21-29(26)33(24-14-7-5-8-15-24)25-16-9-6-10-17-25/h11-13,18-25H,5-10,14-17H2,1-4H3!C4H9O.Na/c1-4(2,3)5;/h1-3H3;/q-1;+1!C5H12N2/c1-7-4-2-6-3-5-7/h6H,2-5H2,1H3<>C24H24F3N7O2.C2HF3O2/c1-16-28-21(23-30-29-22(35-23)18-6-8-20(9-7-18)36-24(25,26)27)31-34(16)15-17-4-3-5-19(14-17)33-12-10-32(2)11-13-33;3-2(4,5)1(6)7/h3-9,14H,10-13,15H2,1-2H3;(H,6,7)<>C4H8O/c1-2-4-5-3-1/h1-4H2/d+

RAuxInfo=1.00.1/0/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30/E:(5,6)(7,8)(21,22,23)/rA:30CCCCCCCCCCCCCCCCCCCBrFFFNNNNNOO/rB:;d2;s2;;;s5;d6;;;s1;s3d9s10;d5s6;d4s9;d7s8;;s13;s16;;s14;s19;s19;s19;d11s16;d17;d18s25;d16;s10s11s27;s17s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;!0/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33/E:(1,2,3,4)(5,6)(7,8,9,10)(14,15,16,17)(19,20)(22,23)(24,25)(27,28)(31,32)/rA:33CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOOP/rB:;;;;;s5;s5;s6;s6;;d11;;s7;s8;s9;s10;s11;d13;s13;s12;s1s2;s3s4;s14s15;s16s17;d18;s19;d20;d21s26;s26d27s28;s22s27;s23s28;s24s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;!0/N:1,2,3,4,5;6/E:(1,2,3);/CRV:5-1;/rA:6CCCCO-Na+/rB:;;s1s2s3;s4;;/rC:;;;;;;!0/N:1,2,3,4,5,6,7/E:(2,3)(4,5)/rA:7CCCCCNN/rB:;;s2;s3;s2s3;s1s4s5;/rC:;;;;;;;<>1/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36;37,38,39,40,41,42,43/E:(6,7)(8,9)(10,11)(12,13)(25,26,27);(3,4,5)(6,7)/rA:43CCCCCCCCCCCCCCCCCCCCCCCCFFFNNNNNNNOOCCFFFOO/rB:;;d3;s3;;;s6;d7;;;s10;s11;;;s1;s4d14s15;d6s7;d5s14;d8s9;;s18;s21;;s24;s24;s24;d16s21;d22;d23s29;d21;s2s10s11;s12s13s19;s15s16s31;s22s23;s20s24;;s37;s38;s38;s38;d37;s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;<>0/N:1,2,3,4,5/E:(1,2)(3,4)/rA:5CCCCO/rB:s1;s1;s2;s3s4;/rC:;;;;;

Long-RInChIKey=SA-FUHFF-MDVGIIUNMMELSV-UHFFFAOYSA-N-MXFYYFVVIIWKFE-UHFFFAOYSA-N-MFRIHAYPQRLWNB-UHFFFAOYSA-N-PVOAHINGSUIXLS-UHFFFAOYSA-N--XZWDTIHZLDRCJI-UHFFFAOYSA-N--WYURNTSHIVDZCO-UHFFFAOYSA-N

Short-RInChIKey=SA-FUHFF-BGQGRXWULO-XZWDTIHZLD-WYURNTSHIV-NUHFF-NUHFF-NUHFF-ZZZ

Web-RInChIKey=DZXKHIUCHZMFQWVQH-NUHFFFADPSCTJSA