smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=C(NNS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1sccc1I	2150284	GYPFHJJBOUPSCP-UHFFFAOYSA-N	544.236	4.014	50	30	KIGC	
O=C(Cc1ccccc1)N[C@H]1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CCl)CS[C@H]12	2556753	BCMPVBNNIHFSLU-RBJSKKJNSA-N	533.049	4.455	50	30	KIGC	
C[C@H]1C[C@H]2[C@@H]3CC(=O)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@]1(OC(=O)c1ccco1)C(=O)CCl	2265385478	XXMUYUVNHWPWLS-YUWMUNDFSA-N	535.420	4.048	50	30	KIGC	
Cc1ccc(S(=O)(=O)NNC(=O)c2sccc2OCc2ncc(C(F)(F)F)cc2Cl)cc1	3137886	WXOXUPTXGDPDNF-UHFFFAOYSA-N	505.927	4.326	50	30	KIGC	
CC(C)(C)OC(=O)n1c(B(O)O)cc2cc(CN3CCC(CO[Si](C)(C)C(C)(C)C)CC3)ccc21	201301233	JZUKTCDOSMFBBQ-UHFFFAOYSA-N	502.537	4.338	50	30	KIGC	
O=C(CCC[C@H](I)CCC(=O)Nc1ccccc1C(=O)NO)Nc1ccccc1	514269774	GKYABXDZTMEQQZ-HNNXBMFYSA-N	509.344	4.137	50	30	KIGC	
CC(=O)N1CCS[C@H]1C(=O)NN(C(=O)c1cc2ccccc2s1)C(=O)c1cc2ccccc2s1	95725752	SUBVCYYTAVJPFA-DEOSSOPVSA-N	509.634	4.351	50	30	KIGC	
O=S(=O)(O)c1cc(NC2[C@@H](Cl)[C@@H]2Cl)c2c(O)c(/N=N/c3ccccc3)c(S(=O)(=O)O)cc2c1	111907292	AFNQGJULQXTHTO-VBPMHHAGSA-N	532.383	4.463	50	30	KIGC	
Cc1cc(-c2nn(C)c(=O)c3ccccc23)cc(C)c1OCC(=O)NNC(=O)c1cccc(C(F)(F)F)c1	1025051	RDWZKKCEEVWVRB-UHFFFAOYSA-N	524.499	4.076	50	30	KIGC	
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)C(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)P(=O)(O)O	96347657	BCENCFPXXCUINT-ZMOGYAJESA-N	508.254	4.473	50	30	KIGC	
CCO[C@H](CBr)Oc1c(OC)cccc1C1=CC(=O)CC[C@H]1[C@H](NC(=O)OC(C)(C)C)C(=O)OC	2265351518	CZRYJDZIFDBLQT-CZAAIQMYSA-N	556.450	4.260	50	30	KIGC	
O=C(CSCC(=O)Nc1ccc(OC(F)(F)F)cc1)NNC(=S)Nc1ccccc1C(F)(F)F	8648553	HIHBIPRZIABVNN-UHFFFAOYSA-N	526.484	4.294	50	30	KIGC	
O=C(Cn1nnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)NNC(=S)Nc1ccc(Cl)cc1	17545274	ZAONFWDEKAOADX-UHFFFAOYSA-N	523.850	4.049	50	30	KIGC	
O=C(CSCC(=O)Nc1ccc(OC(F)(F)F)cc1)NNC(=O)Nc1cc(Cl)cc(Cl)c1	8648549	XMIZKEZRLPHJAM-UHFFFAOYSA-N	511.309	4.417	50	30	KIGC	
COc1c(CO)c([C@H]2[C@@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3OC(C)(C)O[C@H]3[C@@H]2NS(=O)(=O)c2ccc(C)cc2)cc2c1OCO2	2265352246	XXUKDEITKYJMKP-ZJCCJMCUSA-N	665.878	4.188	50	30	KIGC	
Cc1cc(-c2nn(C)c(=O)c3ccccc23)cc(C)c1OCC(=O)NNC(=O)Nc1ccc(Cl)cc1	1025043	YXKGURNNEQFIBF-UHFFFAOYSA-N	505.962	4.102	50	30	KIGC	
O=C(O[C@H](Cl)C(Br)(Br)Br)[C@@H](Br)CBr	100190612	NGCYKKQMUGJOQS-OKKQSCSOSA-N	531.058	4.091	50	30	KIGC	
CN(C)c1ccc(C=NNC(=O)c2ccc([N+](=O)[O-])c(CS(=O)(=O)c3ccc(Cl)cc3)c2)cc1	254498453	DTAKLGBPWGOLJN-UHFFFAOYSA-N	500.964	4.052	50	30	KIGC	
O=C(CCN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)cc1)NNC(=O)Nc1ccc(OC(F)(F)F)cc1	8648568	GYFQPHKHSCBQGU-UHFFFAOYSA-N	560.938	4.266	50	30	KIGC	
C[C@H]1C[C@H]2[C@@H]3CC(=O)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl	2265385476	XXMUYUVNHWPWLS-AABQQBSFSA-N	535.420	4.048	50	30	KIGC	
C[C@H](C(=O)NNC(=O)c1ccc(Cl)cc1)n1nnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1	2148290	HCKZDEAOPNUWJJ-SECBINFHSA-N	506.794	4.053	50	30	KIGC	
O=C(O[C@H](Cl)C(Br)(Br)Br)[C@H](Br)CBr	100190613	NGCYKKQMUGJOQS-FONMRSAGSA-N	531.058	4.091	50	30	KIGC	
COc1cc(CCC(=O)NNC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)cc(OC)c1OC	1036264	NECQWSJIQYELPM-UHFFFAOYSA-N	508.358	4.376	50	30	KIGC	
O=C(CCn1nnc(-c2cccc(Cl)c2Cl)n1)NNC(=S)Nc1ccc(Cl)c(Cl)c1	1045003	MPGRFQKWIOANNM-UHFFFAOYSA-N	505.218	4.362	50	30	KIGC	
C[C@@H](C(=O)NNC(=O)c1ccc(Cl)cc1)n1nnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1	2148287	HCKZDEAOPNUWJJ-VIFPVBQESA-N	506.794	4.053	50	30	KIGC	
O=C(NN=Cc1ccc(F)cc1)C1=NO[C@H](CN(CCNc2ncc(C(F)(F)F)cc2Cl)S(=O)(=O)c2ccc(F)cc2)C1	254742861	YXNIGENYUQHUAD-FQEVSTJZSA-N	645.010	4.430	50	30	KIGC	
CSCC[C@H](NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)NNC(=O)c1ccccc1Cl	8637192	OWEODZDJTTXZIS-INIZCTEOSA-N	577.956	4.239	50	30	KIGC	
COc1ccc(CC[N+](=O)[O-])c2c1O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CCC(=O)[C@]21CCOC(C)=O	2265352250	YKCKIVOKKMOGNK-DNVKUUNQSA-N	507.656	4.220	50	30	KIGC	
O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NNS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl	1036242	FDAQAEHJSGKQAO-UHFFFAOYSA-N	510.186	4.293	50	30	KIGC	
COc1cc([N+](=O)[O-])c(OC)cc1SCC(=O)NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl	2161025	YFBYTWJKHGWGSQ-UHFFFAOYSA-N	524.930	4.394	50	30	KIGC	
O=C(Cn1nnc(-c2cc(Cl)cc(Cl)c2)n1)NNC(=S)Nc1ccc(Br)c(Cl)c1	1044948	YKRKYMSXMORGIN-UHFFFAOYSA-N	535.642	4.081	50	30	KIGC	
C[C@H](C(=O)NNC(=S)Nc1ccccc1F)n1nnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1	95719309	XOSAKTQFXQNXJK-SECBINFHSA-N	521.422	4.096	50	30	KIGC	
CO[C@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](Cl)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1	575124505	UEIVKNTXZOYDEL-PCQQEBMQSA-N	524.953	4.273	50	30	KIGC	
CC[Si](CC)(CC)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](O)C(C)=C([C@@H](O)C(=O)[C@]12C)C3(C)C	196083151	HWHJTOVPIRHJCM-NIWDXWTNSA-N	658.861	4.111	50	30	KIGC	
COc1ccc(C(=O)NNS(=O)(=O)c2ccc(CNC(=O)c3ccc(Cl)cc3)s2)cc1OC1CCCC1	8636811	DABJHJCPYUBULV-UHFFFAOYSA-N	564.085	4.285	50	30	KIGC	
CC(C)(C)c1cc2nc(C(F)(F)F)cc(N3CCN(/C=C(\C#N)S(=O)(=O)c4cccs4)CC3)n2n1	1040010	PZXYXPFXZLGKEY-CCEZHUSRSA-N	524.594	4.068	50	30	KIGC	
O=C(CCC[C@@H](I)CCC(=O)Nc1ccccc1C(=O)NO)Nc1ccccc1	514269775	GKYABXDZTMEQQZ-OAHLLOKOSA-N	509.344	4.137	50	30	KIGC	
FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](I)[Si]12OCCN(CCO1)CCO2	195790559	MYTVWGLABHKPKR-MRVPVSSYSA-N	629.252	4.479	50	30	KIGC	
C[C@@H]1C[C@H]2[C@@H]3CC(=O)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@]1(OC(=O)c1ccco1)C(=O)CCl	2265385477	XXMUYUVNHWPWLS-LZISWBICSA-N	535.420	4.048	50	30	KIGC	
O=C(CSCC(=O)Nc1ccc(OC(F)(F)F)cc1)NNC(=O)Nc1ccc(OC(F)(F)F)cc1	95660918	NRMLUYBGHGAKPI-UHFFFAOYSA-N	526.415	4.008	50	30	KIGC	
CC(=O)N1CCS[C@@H]1C(=O)NN(C(=O)c1cc2ccccc2s1)C(=O)c1cc2ccccc2s1	95725751	SUBVCYYTAVJPFA-XMMPIXPASA-N	509.634	4.351	50	30	KIGC	
C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)C(I)I)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12	123505048	HXECQENBKBNQCQ-XLECKLAMSA-N	610.270	4.007	50	30	KIGC	
COP(=O)(OC[C@H](Br)CBr)OC[C@H](Br)CBr	95704346	MZYXPXYVPOIVAY-RNFRBKRXSA-N	511.767	4.091	50	30	KIGC	
CO[C@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](Cl)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1	106383696	UEIVKNTXZOYDEL-GJNSLUDJSA-N	524.953	4.273	50	30	KIGC	
COP(=O)(OC[C@@H](Br)CBr)OC[C@@H](Br)CBr	95704348	MZYXPXYVPOIVAY-BQBZGAKWSA-N	511.767	4.091	50	30	KIGC	
COc1ccc(NC(=S)NNC(=O)CSc2nnc(-c3ccccc3OC)n2-c2ccccc2)cc1	8647795	WLGFKDCEHVIJOF-UHFFFAOYSA-N	520.640	4.061	50	30	KIGC	
CO[C@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](Cl)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1	100055192	UEIVKNTXZOYDEL-AFRDOISBSA-N	524.953	4.273	50	30	KIGC	
CSCC[C@H](NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)N/N=C/c1cccs1	2148607	YWEYCGCCXULALN-IDDUFPAYSA-N	533.541	4.336	50	30	KIGC	
C[S@@](=O)(=N/C=C(\C#N)S(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	8648467	DEWSLYDPZSXKKP-ZYUWMNDKSA-N	553.500	4.491	50	30	KIGC	
CSCC[C@H](NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)NNC(=O)c1ccc(Cl)cc1	8637197	CMSMSWNHXPWGDJ-INIZCTEOSA-N	577.956	4.239	50	30	KIGC	
CC(C)(CNC(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)O[Si](OCCCCCCN=[N+]=[N-])(c1ccccc1)c1ccccc1	1857524100	CSHHHVOFXKFHMG-PCXFPAGCSA-N	886.202	4.340	50	30	KIGC	
N#Cc1c(-c2ccccc2)c(-c2ccccc2)nn(CC(=O)NNC(=O)Nc2cccc(C(F)(F)F)c2)c1=O	1034629	ZJNDBZATLVHXRM-UHFFFAOYSA-N	532.482	4.321	50	30	KIGC	
CSCC[C@H](NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)NNS(=O)(=O)c1ccccc1C(F)(F)F	95696354	BBRDRSQQUWWSRL-HNNXBMFYSA-N	647.563	4.153	50	30	KIGC	
CCCCC(C(=O)N/N=C/c1cc(Br)ccc1O)C(=O)N/N=C/c1cc(Br)ccc1O	95719300	YVQCOHPNFNANKU-DHSUVYDUSA-N	554.239	4.030	50	30	KIGC	
CSCC[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)NNS(=O)(=O)c1ccccc1C(F)(F)F	95696355	BBRDRSQQUWWSRL-OAHLLOKOSA-N	647.563	4.153	50	30	KIGC	
FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)[Si]12OCCN(CCO1)CCO2	195790558	MYTVWGLABHKPKR-QMMMGPOBSA-N	629.252	4.479	50	30	KIGC	
Cc1cc(-c2nn(C)c(=O)c3ccccc23)cc(C)c1OCC(=O)NNC(=O)Nc1ccc(OC(F)(F)F)cc1	1025046	SJKZNUUPLRYULV-UHFFFAOYSA-N	555.513	4.348	50	30	KIGC	
CSCC[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)NNC(=O)c1ccccc1Cl	8637193	OWEODZDJTTXZIS-MRXNPFEDSA-N	577.956	4.239	50	30	KIGC	
COC(=O)CCCC[C@H](CCSS/C(CCO)=C(\C)N(C=O)Cc1cnc(C)nc1N)SC(C)=O	3873823	VJTXQHYNRDGLON-DXAMHKDYSA-N	544.765	4.093	50	30	KIGC	
C/C(=C(\CCOC(=O)c1cccnc1)SS/C(CCOC(=O)c1cccnc1)=C(\C)N(C=O)Cc1cnc(C)[nH]c1=O)N(C=O)Cc1cnc(C)[nH]c1=O	150656551	DQCFFVJSPGNCNI-FNKNYVMZSA-N	774.882	4.216	50	30	KIGC	
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2c(-c3ccccc3Cl)noc2C)cc1	1048051	UQTOWCZAXUWOQH-UHFFFAOYSA-N	519.023	4.189	50	30	KIGC	
Cc1nc(-c2ccc(C(F)(F)F)cn2)sc1C(=O)NNS(=O)(=O)c1ccccc1C(F)(F)F	1035803	KCFVJDUKNQEVKX-UHFFFAOYSA-N	510.441	4.174	50	30	KIGC	
O=S(=O)(O)c1cc(N[C@H]2[C@H](Cl)[C@@H]2Cl)c2c(O)c(/N=N/c3ccccc3)c(S(=O)(=O)O)cc2c1	267324658	AFNQGJULQXTHTO-ALUZGKASSA-N	532.383	4.463	50	30	KIGC	
O=C(NN=Cc1ccc(F)cc1)C1=NO[C@@H](CN(CCNc2ncc(C(F)(F)F)cc2Cl)S(=O)(=O)c2ccc(F)cc2)C1	254742862	YXNIGENYUQHUAD-HXUWFJFHSA-N	645.010	4.430	50	30	KIGC	
O=C(O[C@@H](Cl)C(Br)(Br)Br)[C@@H](Br)CBr	100190617	NGCYKKQMUGJOQS-ZAFYKAAXSA-N	531.058	4.091	50	30	KIGC	
C[C@@H](C(=O)NNC(=S)Nc1ccccc1F)n1nnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1	95719308	XOSAKTQFXQNXJK-VIFPVBQESA-N	521.422	4.096	50	30	KIGC	
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NNC(=S)Nc2ccc(Cl)c(Cl)c2)cc1	1048053	FBHSCIUQJUKUTJ-UHFFFAOYSA-N	503.477	4.436	50	30	KIGC	
O=C(O[C@@H](Cl)C(Br)(Br)Br)[C@H](Br)CBr	100190620	NGCYKKQMUGJOQS-VVJJHMBFSA-N	531.058	4.091	50	30	KIGC	
Cc1cn([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)c(=O)[nH]c1=O	223460624	YJCOQJDRAMPSRW-GVDBMIGSSA-N	538.759	4.180	50	30	KIGC	
O=C=NCc1cccc(N(CC(CN(C(=O)O)c2cccc(CN=C=O)c2)N(C(=O)O)c2cccc(CN=C=O)c2)C(=O)O)c1	238790734	WNKMZOGULRNMBR-UHFFFAOYSA-N	614.571	4.416	50	30	KIGC	
COc1ccc(NC(=S)NNC(=O)Cn2nnc(-c3ccccc3Oc3ccc(Cl)cc3Cl)n2)c(OC)c1	8715189	YODCDNLENYYDSZ-UHFFFAOYSA-N	574.450	4.474	50	30	KIGC	
COC(=O)CCCC[C@@H](CCSS/C(CCO)=C(\C)N(C=O)Cc1cnc(C)nc1N)SC(C)=O	3873826	VJTXQHYNRDGLON-PVKQIQIRSA-N	544.765	4.093	50	30	KIGC	
Cc1nn(-c2ccccc2)cc1/C=N/NC(=O)Cn1nc(-c2ccccc2)c(-c2ccccc2)c(C#N)c1=O	8636806	LRROXNIJHYMRDX-KCSSXMTESA-N	513.561	4.093	50	30	KIGC	
CSCC[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)NNC(=O)c1ccc(Cl)cc1	95696357	CMSMSWNHXPWGDJ-MRXNPFEDSA-N	577.956	4.239	50	30	KIGC	
CSCC[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)N/N=C/c1cccs1	2148613	YWEYCGCCXULALN-HARKQDAYSA-N	533.541	4.336	50	30	KIGC	
O=C(CCCl)Nc1ccc2c(O)c(/N=N/c3ccc(S(=O)(=O)O)cc3)c(S(=O)(=O)O)cc2c1	33352947	AUKPPTRNAWMUEV-GHVJWSGMSA-N	513.937	4.022	50	30	KIGC	
CC1(C)O[C@H]2[C@@H](O1)C(=O)C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)=C[C@@]21COC(C)(C)O1	2265352285	ZKTAXWBCHZMNNK-BRWNIOCJSA-N	522.714	4.114	50	30	KIGC	
CCO[Si](OCC)(OCC)O[Si](OCC)(OCC)O[Si](OCC)(OCC)O[Si](OCC)(OCC)O[Si](OCC)(OCC)O[Si](OCC)(OCC)OCC	195767204	AVTYAAGTDZJTSJ-UHFFFAOYSA-N	879.365	4.194	50	30	KIGC	
Cc1csc2ncnc(SCC(=O)NNS(=O)(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c12	2142604	XQOJACYVWQURPF-UHFFFAOYSA-N	530.497	4.139	50	30	KIGC	
Cc1cc(-c2nn(C)c(=O)c3ccccc23)cc(C)c1OCC(=O)NNC(=O)c1ccc(Cl)cc1Cl	1025050	MXIKCVQVUVVNLR-UHFFFAOYSA-N	525.392	4.364	50	30	KIGC	
O=C(CCN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)cc1)NNC(=O)Nc1ccc(Cl)cc1	8648564	LEXLKZJNLUFACG-UHFFFAOYSA-N	511.387	4.020	50	30	KIGC	
CSCC[C@H](NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)NNS(=O)(=O)c1ccc(Cl)c(Cl)c1	95696352	YCHKRBJXNUQKCL-INIZCTEOSA-N	648.456	4.441	50	30	KIGC	
O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NNS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	2161074	KHFZPXQKBZRWMI-UHFFFAOYSA-N	542.845	4.370	50	30	KIGC	
C[S@](=O)(=N/C=C(\C#N)S(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	100216324	DEWSLYDPZSXKKP-KSSBTCCXSA-N	553.500	4.491	50	30	KIGC	
CSCC[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)NNS(=O)(=O)c1ccc(Cl)c(Cl)c1	95696353	YCHKRBJXNUQKCL-MRXNPFEDSA-N	648.456	4.441	50	30	KIGC	
O=S(=O)(O)c1cc(NC2[C@H](Cl)[C@H]2Cl)c2c(O)c(/N=N/c3ccccc3)c(S(=O)(=O)O)cc2c1	238790521	AFNQGJULQXTHTO-KUEXCRODSA-N	532.383	4.463	50	30	KIGC	
CO[P@@](=O)(OC[C@H](Br)CBr)OC[C@@H](Br)CBr	309199747	MZYXPXYVPOIVAY-HIEYBRQBSA-N	511.767	4.091	50	30	KIGC