smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@H]1c1ccccc1OS(=O)(=O)F	963153602	WONWYWAFXKXGDQ-TZMCWYRMSA-N	458.489	3.072	70	1	JGIF	
COc1ccc(C(=O)N2C[C@H]3C[C@@H](Oc4ccc(C(F)(F)F)cn4)[C@H]2C3)c(-n2nccn2)c1	218525097	JAACBBVXXQKQLD-UPRAQXHNSA-N	459.428	3.372	70	1	JGIF	
COc1c([C@@]2(C)N[C@H](C(=O)O)Cc3cc(F)ccc32)cc(Br)cc1S(=O)(=O)Cl	962906387	FVMNCFROPNVZFS-KSSFIOAISA-N	492.750	3.387	70	1	JGIF	
COC(=O)c1cc(S(=O)(=O)Cl)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl	587896726	UGVXOLCJEOBXPZ-UHFFFAOYSA-N	474.749	3.418	70	1	JGIF	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(=O)O)cc(S(=O)(=O)Cl)c1	587896888	WCWYXSGVPIQVQV-UHFFFAOYSA-N	460.722	3.330	70	1	JGIF	
COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc([N+](=O)[O-])c1OS(=O)(=O)C(F)(F)F	587381258	DUGSYAOTBLGTLX-AWEZNQCLSA-N	476.385	3.429	70	1	JGIF	
N=c1[nH]c2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)nc-2c(Cl)[nH]1	586925993	DBTHUUVULXUEQE-UHFFFAOYSA-N	457.524	3.381	70	1	JGIF	
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1	218482329	JYHOXZJPHSZOQN-OXJNMPFZSA-N	491.589	3.498	70	1	JGIF	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(=O)O)cc(S(=O)(=O)Cl)c1F	587892805	DMTDDEBJLPBUGA-UHFFFAOYSA-N	478.712	3.469	70	1	JGIF	
COC(=O)c1ccc(S(=O)(=O)Cl)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1	587895750	IPBICBVYHLMWJE-UHFFFAOYSA-N	474.749	3.418	70	1	JGIF	
O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3c(O)nc(S)nc3[nH]2)c1	586927331	XEXQKNCFTZYRNB-UHFFFAOYSA-N	456.130	3.358	70	1	JGIF	
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1[C@]12CC[C@H](N)[C@H](CC1)O2	216885300	FLWOSIOISGGQGY-VUCVNMQBSA-N	460.510	3.152	70	1	JGIF	
COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1S(=O)(=O)Cl	587896823	VOEOQYKCOGKRLT-UHFFFAOYSA-N	474.749	3.418	70	1	JGIF	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1sc(C(=O)O)cc1S(=O)(=O)Cl	587896626	SJNHTKAQSXDKIB-UHFFFAOYSA-N	466.751	3.391	70	1	JGIF	
NS(=O)(=O)c1ccc(Sc2nnc(Nc3ccc(S(=O)(=O)Cl)cc3)s2)cc1	103295505	FSTHJTOLWNNVHA-UHFFFAOYSA-N	462.987	3.008	70	1	JGIF	
COc1cc([C@@H]2Oc3ccc(/C=C\C(=O)NCCc4ccc(O)cc4)cc3O[C@H]2CO)ccc1O	218540820	SUSRJKSSWXDFKP-YCBLZYEVSA-N	477.513	3.352	70	1	JGIF	
Cc1cc(S(=O)(=O)Cl)cc(-c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)c1Cl	586928998	OMFNSVKQPYPAQQ-UHFFFAOYSA-N	490.390	3.140	70	1	JGIF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1ccc(S(=O)(=O)Cl)cc12	587846334	CZKPKCOXPJFKET-RBHXEPJQSA-N	459.724	3.246	70	1	JGIF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1ccc(S(=O)(=O)Cl)cc12	587845367	AKWINYUPDUXDFJ-QPFGOUBPSA-N	459.724	3.246	70	1	JGIF	
CCC(CC)(NC(=O)c1cc(OCC2(C)COC2)c(C2CC2)cn1)C(=O)NC[C@H](F)CCl	146422700	FJBNNMGZQMECSV-MRXNPFEDSA-N	469.985	3.356	70	1	JGIF	
O=C1c2cc(-c3ccc(OS(=O)(=O)C(F)(F)F)cc3)ccc2OCCN1Cc1ncccn1	205818594	FSABECWIKSMENC-UHFFFAOYSA-N	479.436	3.407	70	1	JGIF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1ccc(S(=O)(=O)Cl)cc12	587608429	QKWUQYCOAFYMBH-UWJYYQICSA-N	457.847	3.129	70	1	JGIF	
Cc1nc([C@@]2(C)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)sc1S(=O)(=O)Cl	962973431	WCMYCSHGYYCLHK-PSLIRLAXSA-N	457.307	3.173	70	1	JGIF	
CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2cccc(S(=O)(=O)F)c2Cl)c(Cl)c1	43307545	LLCKURMTIPTKES-UHFFFAOYSA-N	474.345	3.416	70	1	JGIF	
COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(S(=O)(=O)Cl)cc1C(=O)O	587894923	AGXDQFFHQVALFH-UHFFFAOYSA-N	490.748	3.338	70	1	JGIF	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)O)cc1S(=O)(=O)Cl	587896299	OJRXDONFGGMZBD-UHFFFAOYSA-N	460.722	3.330	70	1	JGIF	
CC(C)CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4nc(N)cnc34)cc2)CC1	217736881	PDVSDGCEUOUKTI-UHFFFAOYSA-N	483.594	3.026	70	1	JGIF	
Cc1nc([C@@]2(C)c3scnc3C[C@H](C(=O)O)N2C(=O)OC(C)(C)C)sc1S(=O)(=O)Cl	963143311	LQXCFPDBEDEPSG-BMLIUANNSA-N	494.016	3.345	70	1	JGIF	
CC(C)(C)OC(=O)N1[C@@H](c2ccccc2OS(=O)(=O)F)c2scnc2C[C@@H]1C(=O)O	963153601	WONWYWAFXKXGDQ-OCCSQVGLSA-N	458.489	3.072	70	1	JGIF	
COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(S(=O)(=O)Cl)s1	587896821	VLOQIOAYCOLFGV-UHFFFAOYSA-N	480.778	3.479	70	1	JGIF	
O=C(c1ccc(NS(=O)(=O)c2cccc3scnc23)cc1)N1CCC(O)(Cc2cn[nH]c2)CC1	217725406	ZIJMEMUVDZKEPM-UHFFFAOYSA-N	497.602	3.030	70	1	JGIF	
COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc([N+](=O)[O-])c1OS(=O)(=O)C(F)(F)F	587381259	DUGSYAOTBLGTLX-CQSZACIVSA-N	476.385	3.429	70	1	JGIF	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(F)c(S(=O)(=O)Cl)cc1C(=O)O	587893551	XIUORVOSDQEOTI-UHFFFAOYSA-N	478.712	3.469	70	1	JGIF	
COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1	586928291	UWXVNTMDONSVOC-UHFFFAOYSA-N	464.352	3.070	70	1	JGIF	
O=C(COc1ccc(Br)cc1)NCC(=O)Nc1ccc(I)cc1	217493181	MAUNETDQYVHLDP-UHFFFAOYSA-N	489.107	3.187	70	1	JGIF	
COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1	586928181	QUSHCYWTXVXGBN-UHFFFAOYSA-N	464.352	3.070	70	1	JGIF	
COc1cc(Cc2nc3ccc(OCCN(C)C)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC	586925966	ZRWYBWXCHHFGDH-UHFFFAOYSA-N	453.948	3.039	70	1	JGIF	
CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccc(S(=O)(=O)F)cc2Cl)c(Cl)c1	43871498	LYTIFVTYWZPYNH-UHFFFAOYSA-N	474.345	3.416	70	1	JGIF	
CC1(C)N=C(N)N=C(N)N1c1ccc(Cl)c(OCCCCOc2ccc(S(=O)(=O)F)cc2)c1	43300479	SOYSPCZKTKOYNT-UHFFFAOYSA-N	497.980	3.422	70	1	JGIF	
Cc1nc([C@]2(C)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)sc1S(=O)(=O)Cl	962973434	WCMYCSHGYYCLHK-RFAUZJTJSA-N	457.307	3.173	70	1	JGIF	
O=C(CNC(=O)COc1ccc(Br)cc1)NCc1ccc(Br)cc1	217494233	IFJLEMUQBYJNKJ-UHFFFAOYSA-N	456.134	3.023	70	1	JGIF	
Cc1nc([C@@]2(C)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)sc1S(=O)(=O)Cl	962973438	WCMYCSHGYYCLHK-VFZGTOFNSA-N	457.307	3.173	70	1	JGIF	
CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccc(Cl)c(S(=O)(=O)F)c2)c(Cl)c1	43300454	VGRUCVGXTATKTB-UHFFFAOYSA-N	474.345	3.416	70	1	JGIF	
CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2cc(S(=O)(=O)F)ccc2Cl)c(Cl)c1	43300460	KEDAQUITONUFML-UHFFFAOYSA-N	474.345	3.416	70	1	JGIF	
COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(S(=O)(=O)Cl)c1	587895550	GGJXDKGTHIVQEN-UHFFFAOYSA-N	474.749	3.418	70	1	JGIF	
Cc1nc([C@@]2(C)c3scnc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)sc1S(=O)(=O)Cl	963143316	LQXCFPDBEDEPSG-DYZYQPBXSA-N	494.016	3.345	70	1	JGIF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1ccc(S(=O)(=O)Cl)cc12	587845352	AKWINYUPDUXDFJ-CQLKUDPESA-N	459.724	3.246	70	1	JGIF	
Cc1nc(S(C)(=O)=O)ccc1Oc1ncnc(OC2CCN(C(=O)OC(C)(C)C)CC2)c1F	216672862	HYPHBLWZNULUJZ-UHFFFAOYSA-N	482.534	3.293	70	1	JGIF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1ccc(S(=O)(=O)Cl)cc12	587608421	QKWUQYCOAFYMBH-DYESRHJHSA-N	457.847	3.129	70	1	JGIF	
COc1c([C@]2(C)N[C@H](C(=O)O)Cc3cc(F)ccc32)cc(Br)cc1S(=O)(=O)Cl	962906368	FVMNCFROPNVZFS-KBXCAEBGSA-N	492.750	3.387	70	1	JGIF	
COC(=O)c1cc(S(=O)(=O)Cl)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)o1	587895589	GLEHNDBJXKBAGN-UHFFFAOYSA-N	464.710	3.011	70	1	JGIF	
CCCn1cc2c(nc(NC(=O)Nc3ccc(S(=O)(=O)F)cc3)n3nc(-c4ccco4)nc23)n1	43300349	XOLUPBLUZGIGNN-UHFFFAOYSA-N	484.473	3.446	70	1	JGIF	
CCN1CCCC[C@@H](NS(=O)(=O)c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)C1=O	218626672	UYXOEGFVJSPMJZ-HXUWFJFHSA-N	483.569	3.211	70	1	JGIF	
Cc1nc([C@]2(C)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)sc1S(=O)(=O)Cl	962973426	WCMYCSHGYYCLHK-BJOHPYRUSA-N	457.307	3.173	70	1	JGIF	
COc1cc(Cc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC	586924390	DEIVCVHTZYJAHJ-UHFFFAOYSA-N	498.888	3.392	70	1	JGIF	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2[nH]c(O)nc2cc1S(=O)(=O)Cl	587896196	MIWMMCQODHHPMH-UHFFFAOYSA-N	472.737	3.213	70	1	JGIF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1ccc(S(=O)(=O)Cl)cc12	587845378	AKWINYUPDUXDFJ-WNWIJWBNSA-N	459.724	3.246	70	1	JGIF	
CC(C)CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4c3OCO4)cc2)CC1	217733065	LDPZULCAZCMAPI-UHFFFAOYSA-N	460.552	3.229	70	1	JGIF	
COc1cc(Cc2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC	586924696	HGVUSOUUGMWZPC-UHFFFAOYSA-N	450.879	3.423	70	1	JGIF	
CS(=O)(=O)c1ccc(S(=O)(=O)Cl)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1	587895024	BQFSDYQFSDFSQA-UHFFFAOYSA-N	494.805	3.035	70	1	JGIF	
COc1cc([C@@H]2Oc3ccc(/C=C/C(=O)NCCc4ccc(O)cc4)cc3O[C@H]2CO)ccc1O	218540899	SUSRJKSSWXDFKP-TVKSGDKLSA-N	477.513	3.352	70	1	JGIF	
Cc1cc(S(=O)(=O)F)ccc1COc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1Cl	44201915	RIHSQLBPRXXXOI-UHFFFAOYSA-N	453.927	3.071	70	1	JGIF	
COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(OS(=O)(=O)C(F)(F)F)c([N+](=O)[O-])c1)[C@@H](C2)C3=O	587423135	RCNZWCPNFULFLA-GTNSWQLSSA-N	489.380	3.329	70	1	JGIF	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(F)cc(C(=O)O)cc1S(=O)(=O)Cl	587891733	FKEFCPYSHYVWML-UHFFFAOYSA-N	478.712	3.469	70	1	JGIF	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2c(cc1S(=O)(=O)Cl)OCCO2	587896191	MDMIZDDPYJZDDE-UHFFFAOYSA-N	474.749	3.403	70	1	JGIF	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(=O)O)c(F)c(S(=O)(=O)Cl)c1	587892763	DCUWRJQZQXFTAQ-UHFFFAOYSA-N	478.712	3.469	70	1	JGIF	
NS(=O)(=O)c1cccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c12	586926023	DSUDAWLNPAKJRI-UHFFFAOYSA-N	485.168	3.221	70	1	JGIF	
COc1cc2c3c(c1)O[C@H](c1cc(OC)c(OS(=O)(=O)C(F)(F)F)c([N+](=O)[O-])c1)[C@@H](C2)C3=O	587423132	RCNZWCPNFULFLA-APPDUMDISA-N	489.380	3.329	70	1	JGIF	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(S(=O)(=O)Cl)cc(C(=O)O)c1F	587892844	FODDCOHIROISIX-UHFFFAOYSA-N	478.712	3.469	70	1	JGIF	
CO[C@H]1O[C@H](CI)[C@@H](O)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1	135801816	GHZVXYINUSPEPM-ADAARDCZSA-N	484.330	3.324	70	1	JGIF	biogenic
CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2c(Cl)cccc2S(=O)(=O)F)c(Cl)c1	44146368	JTKDLOSJPMXAMI-UHFFFAOYSA-N	474.345	3.416	70	1	JGIF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1ccc(S(=O)(=O)Cl)cc12	587846335	CZKPKCOXPJFKET-WNWIJWBNSA-N	459.724	3.246	70	1	JGIF	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(C(=O)O)cc(F)cc1S(=O)(=O)Cl	587893898	JHGMRZQDJAJZMD-UHFFFAOYSA-N	478.712	3.469	70	1	JGIF	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(=O)O)sc1S(=O)(=O)Cl	587896998	ZBKLMFQJPLTKSJ-UHFFFAOYSA-N	466.751	3.391	70	1	JGIF	
COCCC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CC1	217613757	MJNGYNXYIPIHCA-UHFFFAOYSA-N	469.563	3.039	70	1	JGIF	
N#Cc1nc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2nc1C#N	586927560	ZYFHEBFIBAJGKN-UHFFFAOYSA-N	458.084	3.107	70	1	JGIF	
O=C(c1ccc(NS(=O)(=O)c2cccc3nccnc23)cc1)N1CCC(O)(CC2CC2)CC1	217614518	UGEJCSFPEMWEHC-UHFFFAOYSA-N	466.563	3.198	70	1	JGIF	
C#CCOCCOCCOCCOCCOc1ccc(-c2ccc(OS(=O)(=O)F)cc2)cc1	584905721	LGGNGJGQVBUVOE-UHFFFAOYSA-N	482.526	3.025	70	1	JGIF	in-vitro
CS(=O)(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(S(=O)(=O)Cl)c1	587896762	ULODXHXRCJYECX-UHFFFAOYSA-N	494.805	3.035	70	1	JGIF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1ccc(S(=O)(=O)Cl)cc12	587846333	CZKPKCOXPJFKET-QPFGOUBPSA-N	459.724	3.246	70	1	JGIF	
COC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(S(=O)(=O)Cl)c1	587895283	FAFMJZONIJLWAM-UHFFFAOYSA-N	474.749	3.418	70	1	JGIF	
Cc1nc([C@]2(C)c3scnc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)sc1S(=O)(=O)Cl	963143313	LQXCFPDBEDEPSG-BTDLBPIBSA-N	494.016	3.345	70	1	JGIF	
CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@@H]1c1ccccc1OS(=O)(=O)F	963153599	WONWYWAFXKXGDQ-JSGCOSHPSA-N	458.489	3.072	70	1	JGIF	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(=O)O)ccc1S(=O)(=O)Cl	587896827	VQPJGBVBJKNJSK-UHFFFAOYSA-N	460.722	3.330	70	1	JGIF	
NS(=O)(=O)c1ccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2c1	586927354	XILIXTUEAJFLJV-UHFFFAOYSA-N	485.168	3.221	70	1	JGIF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1ccc(S(=O)(=O)Cl)cc12	587846332	CZKPKCOXPJFKET-CQLKUDPESA-N	459.724	3.246	70	1	JGIF	
CCC(CC)(NC(=O)c1cc(OCC2(C)COC2)c(C2CC2)cn1)C(=O)NC[C@@H](F)CCl	146422507	FJBNNMGZQMECSV-INIZCTEOSA-N	469.985	3.356	70	1	JGIF	
CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2cc(Cl)ccc2S(=O)(=O)F)c(Cl)c1	43845615	HKVSCCTWYYGOLP-UHFFFAOYSA-N	474.345	3.416	70	1	JGIF	
N[C@@H](CC(=O)N1CC(=O)Nc2cc(Br)ccc2C1)[C@H]1CCc2cc(F)c(F)cc21	218135779	HTKVYVWXEYGALW-KSSFIOAISA-N	464.310	3.455	70	1	JGIF	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(S(=O)(=O)Cl)ccc1C(=O)O	587895802	JNCBTWGBGMNKEQ-UHFFFAOYSA-N	460.722	3.330	70	1	JGIF	
CC(C)(O)CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CC1	217620544	MADNOYVTASEBLR-UHFFFAOYSA-N	483.590	3.164	70	1	JGIF	
COc1cc(Cc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc(S(=O)(=O)Cl)c1OC	586925931	ZDNVKUHWNYJAHP-UHFFFAOYSA-N	489.941	3.158	70	1	JGIF	
CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@H]1c1ccccc1OS(=O)(=O)F	963153596	WONWYWAFXKXGDQ-GXTWGEPZSA-N	458.489	3.072	70	1	JGIF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1ccc(S(=O)(=O)Cl)cc12	587845373	AKWINYUPDUXDFJ-RBHXEPJQSA-N	459.724	3.246	70	1	JGIF	
CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccc(Cl)cc2S(=O)(=O)F)c(Cl)c1	43307423	USYVSBKHQJHLLP-UHFFFAOYSA-N	474.345	3.416	70	1	JGIF	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(F)c(C(=O)O)cc1S(=O)(=O)Cl	587893627	ZUVRUCMYOHDJLE-UHFFFAOYSA-N	478.712	3.469	70	1	JGIF	
COc1cc(Cc2nc3cc(I)cnc3[nH]2)cc(S(=O)(=O)Cl)c1OC	586925464	QBPLTARIDZBWEY-UHFFFAOYSA-N	493.710	3.098	70	1	JGIF	
NNC(=O)c1ccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2c1	586927231	VKLKHYQHGAQVEL-UHFFFAOYSA-N	464.128	3.177	70	1	JGIF	
CCn1cnc2c(-c3ccc(CO)c(-c4ccc(S(=O)(=O)CC)cc4OC)c3)cnnc21	218113800	YZCAYPGFZGVXGK-UHFFFAOYSA-N	452.536	3.475	70	1	JGIF	
CC(C)(C)OC(=O)NCCNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1	218627853	BXRXHDPTIPNNOX-UHFFFAOYSA-N	487.557	3.335	70	1	JGIF	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(S(=O)(=O)Cl)cc1C(=O)O	587896476	PTRHWAZZAXXTKX-UHFFFAOYSA-N	460.722	3.330	70	1	JGIF	
CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2cccc(Cl)c2S(=O)(=O)F)c(Cl)c1	43307681	PBNISSZGQFAIKS-UHFFFAOYSA-N	474.345	3.416	70	1	JGIF	
CCOCC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CC1	217636694	RIUPVJDZMJNRNF-UHFFFAOYSA-N	469.563	3.039	70	1	JGIF	
COC(=O)c1cc(S(=O)(=O)Cl)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)s1	587895713	HPBFRTMFOVIPSY-UHFFFAOYSA-N	480.778	3.479	70	1	JGIF	
CCOC(=O)Cc1ccc2nc(Cc3cc(OC)c(OC)c(S(=O)(=O)Cl)c3)[nH]c2c1	586925176	MMYABBNDFUNWOJ-UHFFFAOYSA-N	452.916	3.204	70	1	JGIF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1ccc(S(=O)(=O)Cl)cc12	587608428	QKWUQYCOAFYMBH-UTKZUKDTSA-N	457.847	3.129	70	1	JGIF	
COc1cc(Cc2nc3c(F)cnc(Br)c3[nH]2)cc(S(=O)(=O)Cl)c1OC	586924853	JYFZFOKUKHNIQC-UHFFFAOYSA-N	464.700	3.395	70	1	JGIF	
COc1cccc(-n2nccn2)c1C(=O)N1C[C@H]2C[C@@H](Oc3ccc(C(F)(F)F)cn3)[C@H]1C2	218535886	XSMDMCQWMREAHT-MZMPZRCHSA-N	459.428	3.372	70	1	JGIF	
CC1(C)N=C(N)N=C(N)N1c1ccc(Cl)c(OCCCOc2ccc(S(=O)(=O)F)cc2)c1	43307705	FAVCTFGGUCHENW-UHFFFAOYSA-N	483.953	3.032	70	1	JGIF	
CCn1cc2c(nc(NC(=O)Nc3ccc(S(=O)(=O)F)cc3)n3nc(-c4ccco4)nc23)n1	43300236	KMFFNBZQRKLUFF-UHFFFAOYSA-N	470.446	3.056	70	1	JGIF	
Cc1nc([C@]2(C)c3scnc3C[C@H](C(=O)O)N2C(=O)OC(C)(C)C)sc1S(=O)(=O)Cl	963143319	LQXCFPDBEDEPSG-QGHHPUGFSA-N	494.016	3.345	70	1	JGIF	
COc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)c1	218545563	TZDIVYDRGPZCLA-SUMWQHHRSA-N	461.448	3.190	70	1	JGIF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1ccc(S(=O)(=O)Cl)cc12	587608426	QKWUQYCOAFYMBH-LAUBAEHRSA-N	457.847	3.129	70	1	JGIF