smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
C[C@]1(c2cccc(S(=O)(=O)F)c2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21	962731505	SWLSRQSUDBWPRW-DOTOQJQBSA-N	401.381	3.254	70	1	HGIF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CCC(=O)O)(c1ccc(S(=O)(=O)Cl)cc1)O2	587409604	MXXWYTLPPLBVNO-IBGZPJMESA-N	423.874	3.230	70	1	HGIF	
O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1ccc(S(=O)(=O)Cl)cc12	587530069	DJORWPWKYWYUHW-HXUWFJFHSA-N	417.870	3.306	70	1	HGIF	
Cc1ccc(C(=O)N2CCC[C@@H](Nc3nc4ccccc4o3)[C@@H]2C)c(-n2ccnn2)n1	218533835	WEGDYXSJMGOBHY-DOTOQJQBSA-N	417.473	3.217	70	1	HGIF	
C[C@]1(c2cccc(S(=O)(=O)F)c2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21	962731506	SWLSRQSUDBWPRW-NVXWUHKLSA-N	401.381	3.254	70	1	HGIF	
COc1ccc(Cl)cc1C#Cc1cc(OC)c(C(=O)O)cc1S(=O)(=O)Cl	587918292	KVTSTWAVJROHAN-UHFFFAOYSA-N	415.250	3.383	70	1	HGIF	
COCc1cnn(-c2ccc(N3CCC(c4noc5ccc(F)cc45)CC3)nn2)c1	218775688	CBHSSHJIZBKJMQ-UHFFFAOYSA-N	408.437	3.473	70	1	HGIF	
O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1ccc(S(=O)(=O)Cl)cc12	587530064	DJORWPWKYWYUHW-FQEVSTJZSA-N	417.870	3.306	70	1	HGIF	
COc1cc(Cc2nc3c(Cl)ccnc3[nH]2)cc(S(=O)(=O)Cl)c1OC	586925471	QMAKJJGPSSBJDF-UHFFFAOYSA-N	402.259	3.147	70	1	HGIF	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=[N+]=[N-])C=Cc2c1cccc2S(=O)(=O)Cl	587408376	FXIJHCDVNAVIIN-IBGZPJMESA-N	415.858	3.063	70	1	HGIF	
O=C([C@H]1Cc2ccccc2[C@H](c2ccccc2OS(=O)(=O)F)N1)C(F)(F)F	962759487	BMLDBWINDLNETF-UKRRQHHQSA-N	403.353	3.015	70	1	HGIF	
O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cnnc(O)c3[nH]2)c1	586926746	OWKPHIAYKQANKJ-UHFFFAOYSA-N	424.063	3.069	70	1	HGIF	
O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3c(O)ncnc3[nH]2)c1	586925843	BSSWHJQZDKNOCL-UHFFFAOYSA-N	424.063	3.069	70	1	HGIF	
Cc1cc(-c2nc3cc(N4CCN(C)CC4)ccc3[nH]2)ccc1S(=O)(=O)Cl	586928089	PSEZJCYBLSRVDG-UHFFFAOYSA-N	404.923	3.218	70	1	HGIF	
COc1cc(Cc2nc3cncc(Cl)c3[nH]2)cc(S(=O)(=O)Cl)c1OC	586924317	AHZHZHDISZCWHR-UHFFFAOYSA-N	402.259	3.147	70	1	HGIF	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2ccc(S(=O)(=O)Cl)cc21	587486018	LCMCJLAJDSCHKW-IBGZPJMESA-N	421.858	3.085	70	1	HGIF	
C[C@@](CO)(CCl)COc1ccc(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)cc1	117737555	FMOKRDCTGOJMRC-UNMCSNQZSA-N	418.921	3.216	70	1	HGIF	
COc1ncc(-c2ccc(N3CCC(N4CCc5ccc(F)cc54)CC3)nn2)cn1	218759698	UBGWLXSKDOAQDZ-UHFFFAOYSA-N	406.465	3.113	70	1	HGIF	
Nc1nccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c12	586926987	SPLVLUSPFCOXQN-UHFFFAOYSA-N	422.091	3.551	70	1	HGIF	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1S(=O)(=O)F	587895018	KJXLGMRJMJMCTP-UHFFFAOYSA-N	400.258	3.362	70	1	HGIF	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2ccc(S(=O)(=O)Cl)cc21	587486032	LCMCJLAJDSCHKW-LJQANCHMSA-N	421.858	3.085	70	1	HGIF	
O=S(=O)(O)c1ccc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c2c1	586926708	OLJWUOJJHHBCEH-UHFFFAOYSA-N	407.256	3.058	70	1	HGIF	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(S(=O)(=O)Cl)o1	587895085	CGDIEOKJENVWGB-UHFFFAOYSA-N	406.674	3.224	70	1	HGIF	
CN1CCN2c3c(cccc3OS(=O)(=O)C(F)(F)F)Cc3ccccc3[C@H]2C1	253635304	DIQWXIJCKNFULQ-MRXNPFEDSA-N	412.433	3.312	70	1	HGIF	
COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc(CCO)cc2[nH]1	586925410	PDIYZNXQCYBEFE-UHFFFAOYSA-N	401.271	3.354	70	1	HGIF	
Cc1cn2cc(-c3ccc4c(c3)[C@]3(COC(N)=N3)C3(COC3)C3(CCC3)O4)ccc2n1	217445355	JKGOTVHTXJKXLS-XMMPIXPASA-N	416.481	3.182	70	1	HGIF	
C[C@@H]1C(=O)NN=C2COc3cc(-c4ccccc4F)c(C4CCN(C)CC4)cc3N21	217621705	GABPILVYPFTQPJ-CQSZACIVSA-N	408.477	3.333	70	1	HGIF	
Cc1cc(S(=O)(=O)Cl)cc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c1Cl	586929669	YCDRXYCQXGSQNJ-UHFFFAOYSA-N	409.258	3.095	70	1	HGIF	
C[C@@]1(c2cccc(S(=O)(=O)F)c2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21	962731678	SWLSRQSUDBWPRW-WBVHZDCISA-N	401.381	3.254	70	1	HGIF	
O=S(=O)(O)c1ccc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c2c1	586926741	DSLZLCWCDPWBNO-UHFFFAOYSA-N	407.256	3.058	70	1	HGIF	
C[C@@H]1c2nnc(-c3nc(C(F)(F)F)ns3)n2CCN1C(=O)c1ccc(F)cc1	218565157	RLKUYZTZCXMODG-MRVPVSSYSA-N	412.372	3.172	70	1	HGIF	
COc1cc(Cc2nc3cccc([N+](=O)[O-])c3[nH]2)cc(S(=O)(=O)Cl)c1OC	586925129	LZTQETBNJUUFFV-UHFFFAOYSA-N	411.823	3.007	70	1	HGIF	
COc1cc(Cc2nc3ccc(F)c(F)c3[nH]2)cc(S(=O)(=O)Cl)c1OC	586924314	AGXGKXGZVWLXBE-UHFFFAOYSA-N	402.806	3.377	70	1	HGIF	
O=C([C@H]1Cc2ccccc2[C@@H](c2ccccc2OS(=O)(=O)F)N1)C(F)(F)F	962759486	BMLDBWINDLNETF-HIFRSBDPSA-N	403.353	3.015	70	1	HGIF	
COC(=O)c1ccc2nc(-c3cc(Cl)c(S(=O)(=O)Cl)cc3OC)[nH]c2n1	586925801	WHFKTXUXNSSRFS-UHFFFAOYSA-N	416.242	3.001	70	1	HGIF	
O=C([C@@H]1Cc2ccccc2[C@H](c2ccccc2OS(=O)(=O)F)N1)C(F)(F)F	962759485	BMLDBWINDLNETF-DZGCQCFKSA-N	403.353	3.015	70	1	HGIF	
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCNCC3)cc2)n1	218481433	XQYMOEFQAQPZFV-FXAWDEMLSA-N	424.549	3.036	70	1	HGIF	
COc1cc(Cc2nc3ccc(C(C)=O)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC	586925764	VRDGMQFQLRDFNL-UHFFFAOYSA-N	408.863	3.301	70	1	HGIF	
COc1cc(Cc2nc3cc(Cl)cnc3[nH]2)cc(S(=O)(=O)Cl)c1OC	586925715	VIYCRMRMAQHHJM-UHFFFAOYSA-N	402.259	3.147	70	1	HGIF	
Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)c1Cl	586929624	WXGGGXYMJRTXJK-UHFFFAOYSA-N	412.254	3.450	70	1	HGIF	
C[C@](CO)(CCl)COc1ccc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)cc1	117737560	FMOKRDCTGOJMRC-IFMALSPDSA-N	418.921	3.216	70	1	HGIF	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=[N+]=[N-])C=Cc2c1cccc2S(=O)(=O)Cl	587408379	FXIJHCDVNAVIIN-LJQANCHMSA-N	415.858	3.063	70	1	HGIF	
COc1ccc([S@@](=O)c2cn(-c3ccc4c(c3)B(O)OC4)c3ccccc23)cc1	205273171	PPTHNOBJIUZFDK-GDLZYMKVSA-N	403.268	3.024	70	1	HGIF	
CS(=O)(=O)c1ccc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c2c1	586926260	JMMKTLZMJQCBRO-UHFFFAOYSA-N	405.284	3.214	70	1	HGIF	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(S(=O)(=O)Cl)n1	587896819	VIEHLPGYVUNUGH-UHFFFAOYSA-N	417.701	3.026	70	1	HGIF	
COc1cc2nc(Cc3cc(OC)c(OC)c(S(=O)(=O)Cl)c3)[nH]c2cc1C	586924322	AOHDMDXXNVXHOD-UHFFFAOYSA-N	410.879	3.415	70	1	HGIF	
O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cncnc3[nH]2)c1	586925785	BCPIFIDEWMSGMW-UHFFFAOYSA-N	408.064	3.363	70	1	HGIF	
COc1cc(Cc2nc3cc(Cl)ncc3[nH]2)cc(S(=O)(=O)Cl)c1OC	586925737	VNDQSTSOXLSPFE-UHFFFAOYSA-N	402.259	3.147	70	1	HGIF	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(S(=O)(=O)Cl)cn1	587895703	HMGIKZWVBKWVCX-UHFFFAOYSA-N	417.701	3.026	70	1	HGIF	
COC(=O)c1cc2nc(-c3cc(S(=O)(=O)Cl)cc(C)c3Cl)[nH]c2cn1	586928971	NOZVWURMADYVAT-UHFFFAOYSA-N	400.243	3.301	70	1	HGIF	
COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc([N+](=O)[O-])cnc2[nH]1	586927031	CETUQGGHVIVDNN-UHFFFAOYSA-N	403.203	3.123	70	1	HGIF	
O=S(=O)(Cl)c1ccc([C@@]2(CBr)NCCc3ccc(O)cc32)cc1	963329823	UZDDARWXOVBVMM-MRXNPFEDSA-N	416.724	3.104	70	1	HGIF	
COc1cc(Cc2nc3ccnc(Cl)c3[nH]2)cc(S(=O)(=O)Cl)c1OC	586924363	CQSRDWMXCBSATK-UHFFFAOYSA-N	402.259	3.147	70	1	HGIF	
CCS(=O)(=O)c1ccc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c2c1	587180007	DAYTUUXHNWKBBX-UHFFFAOYSA-N	402.856	3.335	70	1	HGIF	
COc1cc(Cc2nc3cc(F)cc(F)c3[nH]2)cc(S(=O)(=O)Cl)c1OC	586925333	OMMIMNKDEYKPOG-UHFFFAOYSA-N	402.806	3.377	70	1	HGIF	
CCC[C@]1(c2nc(C)c(S(=O)(=O)Cl)s2)NCCc2c1c(C(C)C)nn2C	962919613	LLICTIOZROEEEW-KRWDZBQOSA-N	417.000	3.425	70	1	HGIF	
O=C([C@@H]1Cc2ccccc2[C@@H](c2ccccc2OS(=O)(=O)F)N1)C(F)(F)F	962759489	BMLDBWINDLNETF-ZFWWWQNUSA-N	403.353	3.015	70	1	HGIF	
Cc1cn2cc(-c3ccc4c(c3)[C@@]3(COC(N)=N3)C3(COC3)C3(CCC3)O4)ccc2n1	217445274	JKGOTVHTXJKXLS-DEOSSOPVSA-N	416.481	3.182	70	1	HGIF	
C[C@](CO)(CCl)COc1ccc(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)cc1	117737557	FMOKRDCTGOJMRC-RBBKRZOGSA-N	418.921	3.216	70	1	HGIF	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(S(=O)(=O)F)c1	587895042	KQDYLXVGVGBXSL-UHFFFAOYSA-N	400.258	3.362	70	1	HGIF	
CCc1ccc(-c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)cc1S(=O)(=O)Cl	586927916	UNDGZLXAJRQYPW-UHFFFAOYSA-N	418.950	3.472	70	1	HGIF	
Cc1cc(N)c2c(c1)C(=O)C[C@](CCC(=O)O)(c1ccc(S(=O)(=O)Cl)cc1)O2	587409611	MXXWYTLPPLBVNO-LJQANCHMSA-N	423.874	3.230	70	1	HGIF	
CN1CCN2c3c(cccc3OS(=O)(=O)C(F)(F)F)Cc3ccccc3[C@@H]2C1	36237984	DIQWXIJCKNFULQ-INIZCTEOSA-N	412.433	3.312	70	1	HGIF	
C[C@@](CO)(CCl)COc1ccc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)cc1	117737559	FMOKRDCTGOJMRC-IRLDBZIGSA-N	418.921	3.216	70	1	HGIF	
COc1cc2cncc(Cc3cnc4ccc(OCC(N)=O)cc4c3)c2cc1OC	217377277	XPXPQCNIPURPPX-UHFFFAOYSA-N	403.438	3.255	70	1	HGIF	
COc1cc(Cc2nc3cc(F)c(F)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC	586925130	MDIKGMXMALXESF-UHFFFAOYSA-N	402.806	3.377	70	1	HGIF	
CCc1ccc(-c2nc3nc(Br)c[nH]c-3n2)cc1S(=O)(=O)Cl	586927915	UERHDTWRMWUZEL-UHFFFAOYSA-N	401.673	3.224	70	1	HGIF	
O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3c(O)nc(S)nc3[nH]2)c1Cl	586925679	UPJAKJWPKYXPNC-UHFFFAOYSA-N	411.679	3.249	70	1	HGIF	
COc1ccc(Cl)cc1C#Cc1cc2c(cc1S(=O)(=O)Cl)OCC(=O)N2	587918487	UFBNOXFWNCLJSW-UHFFFAOYSA-N	412.250	3.007	70	1	HGIF	
C[C@H]1[C@H](Nc2cnc3ccccc3n2)CCCN1C(=O)c1ccccc1-n1nccn1	218487411	UBXSVMVSYOQWOF-FUHWJXTLSA-N	413.485	3.316	70	1	HGIF	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(S(=O)(=O)Cl)nc1	587895689	GYHPIKBFOUPYHJ-UHFFFAOYSA-N	417.701	3.026	70	1	HGIF	
NNC(=O)c1ccc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2c1	586926711	STUPCPSYOCUNOO-UHFFFAOYSA-N	419.677	3.068	70	1	HGIF	
O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cnncc3[nH]2)c1	586927110	VAENAQQCEUASCH-UHFFFAOYSA-N	408.064	3.363	70	1	HGIF	
CS(=O)(=O)c1ccc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c2c1	586926802	FPJYWXUCDDOUGT-UHFFFAOYSA-N	405.284	3.214	70	1	HGIF	
O=S(=O)(F)c1ccc(Cl)c(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1	587181223	WBSPNWPDWQZVBD-UHFFFAOYSA-N	409.870	3.374	70	1	HGIF	
COC(=O)c1ccc2nc(-c3cc(S(=O)(=O)Cl)cc(C)c3Cl)[nH]c2n1	586928579	DNKCHHWVLOMGDB-UHFFFAOYSA-N	400.243	3.301	70	1	HGIF	
Cc1cc(-c2nc3cc(CN4CCOCC4)ccc3[nH]2)ccc1S(=O)(=O)Cl	586928354	YDPCAPAMVCXCNO-UHFFFAOYSA-N	405.907	3.298	70	1	HGIF	
COC(=O)c1cc2nc(-c3cc(Cl)c(S(=O)(=O)Cl)cc3OC)[nH]c2cn1	586925782	VYMVDGWDRANZQT-UHFFFAOYSA-N	416.242	3.001	70	1	HGIF	
COc1cc(Cc2nc3c(F)cnc(Cl)c3[nH]2)cc(S(=O)(=O)Cl)c1OC	586925445	PLSDGRQQWLZVQQ-UHFFFAOYSA-N	420.249	3.286	70	1	HGIF	
COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc3nc(O)[nH]c3cc2[nH]1	586927383	FSLLZYUESCRHDZ-UHFFFAOYSA-N	413.242	3.401	70	1	HGIF	
COc1ccc(F)c(-c2ccc3c(c2)[C@]2(COC(N)=N2)C2(COC2)C2(CCC2)O3)c1	218475388	DCFHBMJLBSTLIB-HSZRJFAPSA-N	410.445	3.373	70	1	HGIF	
COc1cc2nc(Cc3cc(OC)c(OC)c(S(=O)(=O)Cl)c3)[nH]c2cc1F	586924753	IIUKHXXULQETPY-UHFFFAOYSA-N	414.842	3.246	70	1	HGIF	
C[C@@H](NC(=O)CCCN1CCCCC1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1	43153426	QCZKLPFIGVYGPA-CQSZACIVSA-N	422.469	3.358	70	1	HGIF	in-vitro
COc1ccc(Cl)cc1C#Cc1cc(S(C)(=O)=O)ccc1S(=O)(=O)Cl	587918566	XCAJYMNKZAQTNN-UHFFFAOYSA-N	419.307	3.079	70	1	HGIF	
COc1ccc(Cl)cc1C#Cc1cc2c(cc1S(=O)(=O)Cl)NC(=O)CO2	587918385	PKHGTZMRXUEHBQ-UHFFFAOYSA-N	412.250	3.007	70	1	HGIF	
O=S(=O)(Cl)c1cc(-c2nc3nc(Br)c[nH]c-3n2)ccc1Cl	586927585	OQQKLNCLQIJOOS-UHFFFAOYSA-N	408.064	3.315	70	1	HGIF	
Cc1cc(S(=O)(=O)Cl)cc(-c2nc3c(S)nc(S)nc3[nH]2)c1Cl	586928978	NWOZXUHDDXLBIL-UHFFFAOYSA-N	407.329	3.487	70	1	HGIF	
COc1ccc(Cl)cc1C#Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)Cl	587918142	CMTLAJFYWPUKAR-UHFFFAOYSA-N	419.307	3.079	70	1	HGIF	
O=S(=O)(Cl)c1ccc(-c2nc3nc(Br)c[nH]c-3n2)cc1Cl	586926953	BRKTUAHMLCXROX-UHFFFAOYSA-N	408.064	3.315	70	1	HGIF	
O=S(=O)(Cl)c1ccc([C@]2(CBr)NCCc3ccc(O)cc32)cc1	963329822	UZDDARWXOVBVMM-INIZCTEOSA-N	416.724	3.104	70	1	HGIF	
COC(=O)c1ccnc2[nH]c(-c3cc(Cl)c(S(=O)(=O)Cl)cc3OC)nc12	586924333	BCTYDYOJNWFCTH-UHFFFAOYSA-N	416.242	3.001	70	1	HGIF	
CCC[C@@]1(c2nc(C)c(S(=O)(=O)Cl)s2)NCCc2c1c(C(C)C)nn2C	962919621	LLICTIOZROEEEW-QGZVFWFLSA-N	417.000	3.425	70	1	HGIF	
CC1=C(c2ccc3nc(-c4cc(S(=O)(=O)F)ccc4Cl)[nH]c3c2)NNC(=O)C1	587181406	YNDOZHAACCUWDP-UHFFFAOYSA-N	420.853	3.297	70	1	HGIF	
COc1cc(Cc2nc3c(C)cnc(Cl)c3[nH]2)cc(S(=O)(=O)Cl)c1OC	586924280	AAOBSDIZYQWRRH-UHFFFAOYSA-N	416.286	3.455	70	1	HGIF	
COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2c(S)nc(S)nc2[nH]1	586927304	FECWAEWKASJYFK-UHFFFAOYSA-N	423.328	3.187	70	1	HGIF	
Cc1ccc(C(=O)N2CCC[C@@H](Nc3nc4ccccc4o3)[C@@H]2C)c(-n2nccn2)n1	218361557	CGORZWTZFXBGPK-DOTOQJQBSA-N	417.473	3.217	70	1	HGIF	
N=c1[nH]c2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)nc-2c(Cl)[nH]1	586925550	GGCZEYPLAGJXCN-UHFFFAOYSA-N	413.073	3.272	70	1	HGIF	
C[C@H]1[C@H](Nc2ncc3ccccc3n2)CCCN1C(=O)c1ccccc1-n1nccn1	218465518	FIOCWYORYODYRN-QFBILLFUSA-N	413.485	3.316	70	1	HGIF	
Cc1cnc(C(=O)N2CCC[C@@H](Nc3nc4ccccc4o3)[C@@H]2C)c(-n2nccn2)c1	218361748	MGZTZBWQPVLRAQ-JKSUJKDBSA-N	417.473	3.217	70	1	HGIF	
C[C@@]1(c2cccc(S(=O)(=O)F)c2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21	962731676	SWLSRQSUDBWPRW-RDJZCZTQSA-N	401.381	3.254	70	1	HGIF	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=[N+]=[N-])C=C(S(=O)(=O)Cl)c2ccccc21	587408106	FJIDTPQGNYUTOK-LJQANCHMSA-N	415.858	3.032	70	1	HGIF	
Nc1cc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2cn1	586927114	VAUCHWMUBQYGAF-UHFFFAOYSA-N	422.091	3.551	70	1	HGIF	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cncc(S(=O)(=O)Cl)c1	587894993	BMTCJFRHHWXMDG-UHFFFAOYSA-N	417.701	3.026	70	1	HGIF	
COc1ccc(F)c(-c2ccc3c(c2)[C@@]2(COC(N)=N2)C2(COC2)C2(CCC2)O3)c1	218475309	DCFHBMJLBSTLIB-QHCPKHFHSA-N	410.445	3.373	70	1	HGIF	
O=[N+]([O-])c1cc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c2cc1[N+](=O)[O-]	587180855	OLDGBRFEISCBGB-UHFFFAOYSA-N	400.731	3.358	70	1	HGIF	
CN1CCN(c2ccc3nc(-c4cc(S(=O)(=O)F)ccc4Cl)[nH]c3c2)CC1	587181196	VLTKGIOBJSKOHP-UHFFFAOYSA-N	408.886	3.293	70	1	HGIF	
O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3ncc[nH]c-3n2)c1	586926061	GBENEWRRLRPLME-UHFFFAOYSA-N	408.064	3.315	70	1	HGIF	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(S(=O)(=O)F)cc1	587895220	MRIWIGGTWKYAKZ-UHFFFAOYSA-N	400.258	3.362	70	1	HGIF	
Cc1cc(S(=O)(=O)Cl)cc(-c2nc3ccc(S(=O)(=O)O)cc3[nH]2)c1Cl	586928939	MVDGNJZPOFSVIL-UHFFFAOYSA-N	421.283	3.366	70	1	HGIF	
COc1cc(Cc2nc3ccc(Cl)nc3[nH]2)cc(S(=O)(=O)Cl)c1OC	586925510	RVWXJUMAQGDVEU-UHFFFAOYSA-N	402.259	3.147	70	1	HGIF	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=[N+]=[N-])C=C(S(=O)(=O)Cl)c2ccccc21	587408105	FJIDTPQGNYUTOK-IBGZPJMESA-N	415.858	3.032	70	1	HGIF	
COC(=O)c1ccnc2[nH]c(-c3cc(S(=O)(=O)Cl)cc(C)c3Cl)nc12	586928825	KTJNLFSPYWDROE-UHFFFAOYSA-N	400.243	3.301	70	1	HGIF	
CC1=C(c2ccc3[nH]c(-c4ccc(S(=O)(=O)Cl)c(C)c4)nc3c2)NNC(=O)C1	586927579	HKCUSPIYQSEEKK-UHFFFAOYSA-N	416.890	3.221	70	1	HGIF	
COc1ccc([S@](=O)c2cn(-c3ccc4c(c3)B(O)OC4)c3ccccc23)cc1	205273158	PPTHNOBJIUZFDK-LJAQVGFWSA-N	403.268	3.024	70	1	HGIF	
COc1cc(Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc(S(=O)(=O)Cl)c1OC	586925087	LMHDSKVDILOXQJ-UHFFFAOYSA-N	411.823	3.007	70	1	HGIF	
Cn1cnc2ccc(-c3ccnc(NC[C@H](O)CN4CCc5ccccc5C4)c3)cc21	218392488	PNOIRPBZBNYURC-QFIPXVFZSA-N	413.525	3.466	70	1	HGIF	in-vitro
COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cncc([N+](=O)[O-])c2[nH]1	586927940	LXIHBJKIEJUSOV-UHFFFAOYSA-N	403.203	3.123	70	1	HGIF