smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CCCN1CC[C@@H]2c3cccc(OS(=O)(=O)C(F)(F)F)c3CC[C@H]21	58677894	ASMVKSNPCVNVFO-TZMCWYRMSA-N	363.401	3.429	70	1	FGIF	
COc1cc2c3c(c1)O[C@H](c1ccc(S(=O)(=O)Cl)cc1)[C@@H](C2)C3=O	587451787	ZUFJZDNFGVVYTB-SUMWQHHRSA-N	364.806	3.111	70	1	FGIF	
O=C(N[C@H]1CN2CCC1CC2)c1cc2cccc(-c3ccsc3)n2c1	218607857	VSTXMHSASZMQFM-SFHVURJKSA-N	351.475	3.492	70	1	FGIF	
O=C(N[C@H]1CN2CCC1CC2)c1cc2ccc(-c3ccsc3)cn2c1	218633260	DTTDXTJPOQEQKE-IBGZPJMESA-N	351.475	3.492	70	1	FGIF	
N#Cc1nc(Cl)cc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c12	587177935	HPEWUNCYOLULBV-UHFFFAOYSA-N	371.180	3.462	70	1	FGIF	
O=S(=O)(Cl)c1ccc(-c2nc3ccc(CCO)cc3[nH]2)cc1Cl	586928405	ZSMKURVPQKBZHT-UHFFFAOYSA-N	371.245	3.346	70	1	FGIF	
COc1cc2nc(-c3ccc(S(=O)(=O)Cl)c(C)c3)[nH]c2cc1OC	586927993	NJXMHVBGNXOCJQ-UHFFFAOYSA-N	366.826	3.483	70	1	FGIF	
O=[N+]([O-])c1cncc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c12	586926433	KUMRKZOSHCGCLB-UHFFFAOYSA-N	373.177	3.114	70	1	FGIF	
Cc1cc(-c2nc3cc(C#N)c(C#N)cc3[nH]2)ccc1S(=O)(=O)Cl	586926828	ANOOEKDVYHZTJU-UHFFFAOYSA-N	356.794	3.209	70	1	FGIF	
Cc1cc(S(=O)(=O)Cl)cc(-c2nc3c(N)ccnc3[nH]2)c1Cl	586928965	NKMKEASUPQMWIT-UHFFFAOYSA-N	357.222	3.096	70	1	FGIF	
O=S(=O)(Cl)c1ccc(-c2nc3cnc(Cl)[nH]c-3n2)cc1Cl	586927092	CKWDBMQPYPIUCH-UHFFFAOYSA-N	363.613	3.206	70	1	FGIF	
N[C@@H](CC(=O)N1CCNc2ccccc2C1)[C@H]1CCc2cc(F)c(F)cc21	218112625	PFSCRFQAQDUNKS-KXBFYZLASA-N	371.431	3.166	70	1	FGIF	
Cc1ncc([C@H](CNC(=O)c2ccccc2Cl)c2ccncc2)cn1	217373121	BKYFLXQYYUSRIL-QGZVFWFLSA-N	352.825	3.395	70	1	FGIF	
COC(=O)c1cccc2[nH]c(-c3ccc(S(=O)(=O)Cl)c(C)c3)nc12	586927153	CZTOFICGJVVTSG-UHFFFAOYSA-N	364.810	3.252	70	1	FGIF	
Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(N)c(N)cc3[nH]2)c1Cl	586927085	URWVBOGESBFZTM-UHFFFAOYSA-N	371.249	3.284	70	1	FGIF	
O=C(c1cccc(S(=O)(=O)Cl)c1)c1coc2cc([N+](=O)[O-])ccc12	587279775	AGYZSTLCLVOSSQ-UHFFFAOYSA-N	365.750	3.500	70	1	FGIF	
CCc1ccc(-c2nc3cncc(OC)c3[nH]2)cc1S(=O)(=O)Cl	586927149	JPKUNYYPEZRBSB-UHFFFAOYSA-N	351.815	3.123	70	1	FGIF	
Cc1cc(S(=O)(=O)Cl)cc(-c2nc3ccnc(O)c3[nH]2)c1Cl	586929737	ZSSCZAUJZFQMNK-UHFFFAOYSA-N	358.206	3.220	70	1	FGIF	
CCc1ccc(-c2nc3ccc(C(=N)N)cc3[nH]2)cc1S(=O)(=O)Cl	586927790	RTDIOCJSSHAJIL-UHFFFAOYSA-N	362.842	3.004	70	1	FGIF	
Cn1cc(-c2ccc(N3CCC(n4ncc5ccccc54)CC3)nn2)cn1	218760002	OTVKHNHBCUYOHI-UHFFFAOYSA-N	359.437	3.068	70	1	FGIF	
Cc1[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc2c1C1=CCNCC1	96910225	TVGSRQITRNMKJJ-UHFFFAOYSA-N	360.357	3.081	70	1	FGIF	
O=C([C@@H]1CCCN1Cc1ccccc1)N1CCCC[C@H]1CN1CCCC1	218172603	MTYTWDVNBVPWJC-SFTDATJTSA-N	355.526	3.128	70	1	FGIF	
COC(=O)c1ccc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c2c1	587180820	NRXYUWZVXOWTML-UHFFFAOYSA-N	368.773	3.328	70	1	FGIF	
Cc1cc(-c2nc3c(C(=O)O)cc(F)cc3[nH]2)ccc1S(=O)(=O)Cl	586927128	CXWKBNQWBIUTTA-UHFFFAOYSA-N	368.773	3.303	70	1	FGIF	
Fc1ccc2onc(C3CCN(c4ccc(-n5ccnc5)nn4)CC3)c2c1	218775359	VDKRLMPMQRVURB-UHFFFAOYSA-N	364.384	3.327	70	1	FGIF	
CCc1ccc(-c2nc3cccc(C(=O)O)c3[nH]2)cc1S(=O)(=O)Cl	586927899	UAGFPYNMKHZNRK-UHFFFAOYSA-N	364.810	3.418	70	1	FGIF	
Cc1cc(-c2nc3cc4c(cc3[nH]2)OCCO4)ccc1S(=O)(=O)Cl	586927524	GDLJVRPOUQXPAE-UHFFFAOYSA-N	364.810	3.237	70	1	FGIF	
COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cnccc2[nH]1	586925033	KUJGBZMYRHUBGT-UHFFFAOYSA-N	358.206	3.214	70	1	FGIF	
COc1ccc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c2n1	586926189	IRIDXDMBHBPNAI-UHFFFAOYSA-N	358.206	3.214	70	1	FGIF	
O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cncnc3[nH]2)c1Cl	586925756	JNWZHGHUQHZBJX-UHFFFAOYSA-N	363.613	3.254	70	1	FGIF	
Cc1ncc([C@@]2(CNC(=O)c3cccc(Cl)c3Cl)CCOC2)cn1	217385336	UPZAMGNRGNYKDQ-QGZVFWFLSA-N	366.248	3.180	70	1	FGIF	
CC(C)(C)[SiH2]OCCN(CCO[SiH2]C(C)(C)C)c1ccccc1	195066768	APWANWNHWWXWKY-UHFFFAOYSA-N	353.655	3.131	70	1	FGIF	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(S(=O)(=O)Cl)cc1)O2	587408668	HOKCNNMVXVLJHO-QGZVFWFLSA-N	365.838	3.385	70	1	FGIF	
CCCN1CC[C@@H]2c3cccc(OS(=O)(=O)C(F)(F)F)c3CC[C@@H]21	36187790	ASMVKSNPCVNVFO-OCCSQVGLSA-N	363.401	3.429	70	1	FGIF	
C=CCN1CC[C@H]2c3cccc(OS(=O)(=O)C(F)(F)F)c3CC[C@@H]21	36187787	JNAGEIMWCSOQKU-JSGCOSHPSA-N	361.385	3.205	70	1	FGIF	
O=[N+]([O-])c1cnc2[nH]c(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)nc2c1	586927892	TVWHCTXNGCDADS-UHFFFAOYSA-N	373.177	3.114	70	1	FGIF	
O=C(O)c1ccc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c2c1	587180389	ILCBOXDJPAQKOS-UHFFFAOYSA-N	354.746	3.240	70	1	FGIF	
O=C(O)CCC/C=C\C[C@@H]1[C@@H](c2ccc(CO)cc2)[C@H](O)C[C@H]1Cl	137013464	SERARKCJMHKXJN-MLMRMRFMSA-N	352.858	3.452	70	1	FGIF	
CCc1ccc(-c2nc3cc4c(cc3[nH]2)OCO4)cc1S(=O)(=O)Cl	586926754	DVZIZXJYCNKUEE-UHFFFAOYSA-N	364.810	3.449	70	1	FGIF	
N[C@@H](N=O)c1ccc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c2c1	587178072	OOQZLBIVAFXDOQ-ZDUSSCGKSA-N	368.777	3.265	70	1	FGIF	
C=CCN1CC[C@H]2c3cccc(OS(=O)(=O)C(F)(F)F)c3CC[C@H]21	139038250	JNAGEIMWCSOQKU-GXTWGEPZSA-N	361.385	3.205	70	1	FGIF	
CCc1ccc(-c2nc3ccc(C(=O)O)cc3[nH]2)cc1S(=O)(=O)Cl	586927047	IJEPONYIHJYGTO-UHFFFAOYSA-N	364.810	3.418	70	1	FGIF	
O=C(O)c1cc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c2cc1F	587178240	WUHLYOQHYKAQEU-UHFFFAOYSA-N	372.736	3.379	70	1	FGIF	
C[C@@H](C(=O)Nc1ccccn1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1	43587470	AMYIMGJGQIODLB-SNVBAGLBSA-N	374.340	3.052	70	1	FGIF	
Cc1cc(-c2nc3cc4[nH]c(O)nc4cc3[nH]2)ccc1S(=O)(=O)Cl	586928331	XCALGCRDVBQHFS-UHFFFAOYSA-N	362.798	3.048	70	1	FGIF	
CCc1ccc(-c2nc3cc(C#N)c(C#N)cc3[nH]2)cc1S(=O)(=O)Cl	586927956	UNMVPMJGAUXQNU-UHFFFAOYSA-N	370.821	3.463	70	1	FGIF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(S(=O)(=O)Cl)cc1)O2	587410334	QTFWKXJMYMBDFE-OAHLLOKOSA-N	351.811	3.211	70	1	FGIF	
COc1cc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c2cn1	586928116	ZGGUWVKGQKNPPX-UHFFFAOYSA-N	358.206	3.214	70	1	FGIF	
O=S(=O)(F)c1ccc(Cl)c(-c2nc3cc4cn[nH]c4cc3[nH]2)c1	587180776	LOTPFLISGHJPSA-UHFFFAOYSA-N	350.762	3.418	70	1	FGIF	
O=S(=O)(Cl)c1ccc(-c2nc3c(Cl)ncnc3[nH]2)cc1Cl	586928401	ZNCDQMRAUCSINK-UHFFFAOYSA-N	363.613	3.254	70	1	FGIF	
CCc1ccc(-c2nc3ccc(CCO)cc3[nH]2)cc1S(=O)(=O)Cl	586926998	HUIYNWXHTAKISI-UHFFFAOYSA-N	364.854	3.255	70	1	FGIF	
Cc1cc(Nc2ccc(C(=O)NCCF)c(F)c2)nc(-c2cccnc2)n1	217362278	SBVJEFMIVGOINC-UHFFFAOYSA-N	369.375	3.429	70	1	FGIF	
COc1cc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c2cn1	586925710	ANYGUHCIDMJMTG-UHFFFAOYSA-N	358.206	3.214	70	1	FGIF	
CCc1ccc(-c2nc3cnc(Cl)[nH]c-3n2)cc1S(=O)(=O)Cl	586927324	LCLKDSFOUKJDEM-UHFFFAOYSA-N	357.222	3.115	70	1	FGIF	
O=C(c1ccn(-c2ccc3c(c2)B(O)OC3)c1)c1cccc2ccccc12	221695070	IICGACXQYWRJJO-UHFFFAOYSA-N	353.186	3.079	70	1	FGIF	
O=S(=O)(F)c1ccc(Cl)c(-c2nc3cc4c(cc3[nH]2)OCCO4)c1	587181385	YFEQKWPTRUODLD-UHFFFAOYSA-N	368.773	3.313	70	1	FGIF	
Cc1cc(-c2nc3c(C#N)nc(Cl)cc3[nH]2)ccc1S(=O)(=O)Cl	586926859	AVCPMHSEGUTFDY-UHFFFAOYSA-N	367.217	3.386	70	1	FGIF	
O=C([C@H]1CCCN1Cc1ccccc1)N1CCCC[C@H]1CN1CCCC1	218172524	MTYTWDVNBVPWJC-LEWJYISDSA-N	355.526	3.128	70	1	FGIF	
CCc1ccc(-c2nc3c(Cl)ncnc3[nH]2)cc1S(=O)(=O)Cl	586927263	JXCYHHYPIMDSLU-UHFFFAOYSA-N	357.222	3.163	70	1	FGIF	
Cc1cc(-c2nc3cc4c(cc3[nH]2)OCO4)ccc1S(=O)(=O)Cl	586928281	UKWPYZGAQXWIMQ-UHFFFAOYSA-N	350.783	3.195	70	1	FGIF	
CC(C)(C)c1cnc(NC(=O)c2ccc3cc4n(c3c2)CCCNC4=O)o1	218233027	BRCARTGAPHRTPD-UHFFFAOYSA-N	366.421	3.313	70	1	FGIF	
CCc1ccc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)cc1S(=O)(=O)Cl	586927359	LOJJBTHWHDQCLZ-UHFFFAOYSA-N	366.786	3.023	70	1	FGIF	
O=S(=O)(Cl)c1cc(-c2nc3cnc(Cl)[nH]c-3n2)ccc1Cl	586926664	CNJPAQDZSBJHKG-UHFFFAOYSA-N	363.613	3.206	70	1	FGIF	
O=S(=O)(Cl)c1ccc(-c2nc3ccc(CO)cc3[nH]2)cc1Cl	586928277	UGOZNHMPEPUDEI-UHFFFAOYSA-N	357.218	3.303	70	1	FGIF	
O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cnncc3[nH]2)c1Cl	586925525	GCCANEJPQLMZLH-UHFFFAOYSA-N	363.613	3.254	70	1	FGIF	
CC(C)(C)[Si](F)(CCCn1cc(C[C@H](N)C(=O)O)nn1)C(C)(C)C	210632948	DHWMVTHTVFYJSK-ZDUSSCGKSA-N	358.534	3.138	70	1	FGIF	
CCc1ccc(-c2nc3ccc(CO)cc3[nH]2)cc1S(=O)(=O)Cl	586926739	DRDKDXAJGJYKQX-UHFFFAOYSA-N	350.827	3.212	70	1	FGIF	
O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3ncc[nH]c-3n2)c1Cl	586926064	LIHATDOUJKZPAZ-UHFFFAOYSA-N	363.613	3.206	70	1	FGIF	
Cc1cc(-c2nc3cc(CCO)ccc3[nH]2)ccc1S(=O)(=O)Cl	586928402	ZQCGVGTXLMDQFQ-UHFFFAOYSA-N	350.827	3.001	70	1	FGIF	
COc1cc2c3c(c1)O[C@@H](c1ccc(S(=O)(=O)Cl)cc1)[C@@H](C2)C3=O	587451780	ZUFJZDNFGVVYTB-GUYCJALGSA-N	364.806	3.111	70	1	FGIF	
O[C@@H](CNCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1)C(F)(F)F	218700611	OPQTXABBASEIKQ-LBPRGKRZSA-N	365.277	3.175	70	1	FGIF	
N#Cc1cc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c2cc1C#N	587178004	LJLSIOXXHZGSIE-UHFFFAOYSA-N	360.757	3.285	70	1	FGIF	
C[C@@H](C(=O)NC1CCCC1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1	44086462	JCPOPIXJSQZNIH-SNVBAGLBSA-N	365.373	3.077	70	1	FGIF	
O=S(=O)(F)c1ccc(Cl)c(-c2nc3ccc(CCO)cc3[nH]2)c1	587180872	ORXOLQSLFJPWAI-UHFFFAOYSA-N	354.790	3.076	70	1	FGIF	
O=[N+]([O-])c1cccc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c12	587181250	WGIYQSFGAUDCBB-UHFFFAOYSA-N	355.734	3.450	70	1	FGIF	
O=C(N[C@H]1CN2CCC1CC2)c1cc2ccc(-c3cccs3)cn2c1	218608505	CMACQLWGQSWNKM-SFHVURJKSA-N	351.475	3.492	70	1	FGIF	
COC(=O)c1ccc2[nH]c(-c3ccc(S(=O)(=O)Cl)c(C)c3)nc2c1	586928223	RPBFJLIPYYCMKG-UHFFFAOYSA-N	364.810	3.252	70	1	FGIF	
CCc1ccc(-c2nc3ccc(OC)nc3[nH]2)cc1S(=O)(=O)Cl	586927907	UBYAOXMJQBXGNO-UHFFFAOYSA-N	351.815	3.123	70	1	FGIF	
O=S(=O)(Cl)c1cc(-c2nc3nc(Cl)c[nH]c-3n2)ccc1Cl	586926702	DCNIKRACYAJSTP-UHFFFAOYSA-N	363.613	3.206	70	1	FGIF	
COc1cccc(-c2nc(Cc3ccccc3)no2)c1OC1CCNCC1	218582929	DBANENDLXZSLHR-UHFFFAOYSA-N	365.433	3.467	70	1	FGIF	
COc1cc(OC)c2nc(-c3ccc(S(=O)(=O)Cl)c(C)c3)[nH]c2c1	586928367	YNRSJYKOGOVLIZ-UHFFFAOYSA-N	366.826	3.483	70	1	FGIF	
C[C@@H](C(=O)Nc1cccnc1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1	44093665	SBVMGWDCLOHAHW-SNVBAGLBSA-N	374.340	3.052	70	1	FGIF	
COc1nccc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c12	586927217	DQADDHBFUPNUTI-UHFFFAOYSA-N	358.206	3.214	70	1	FGIF	
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CO)cc2)n1	218473150	UXYGHYPCCFQPOI-XJKSGUPXSA-N	356.426	3.123	70	1	FGIF	
Cc1cc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)ccc1S(=O)(=O)Cl	586928324	WSMSUBXSCZBYOQ-UHFFFAOYSA-N	351.771	3.374	70	1	FGIF	
O=S(=O)(OC1=Cc2nc3cccc4c3c(c2CC1)CC4)C(F)(F)F	587210844	XASAHEFSORLQDQ-UHFFFAOYSA-N	355.337	3.487	70	1	FGIF	
CCS(=O)(=O)c1ccccc1-c1nc2ncc(C(F)(F)F)cc2[nH]1	218064005	GXBPMJWUZHCROS-UHFFFAOYSA-N	355.341	3.437	70	1	FGIF	
COc1ccc2c(c1OC)C=[N+](C)[C@H]1c3cc4c(cc3C=C[C@@H]21)OCO4	217111043	YBZWYENDSXGMPR-VBKZILBWSA-N	350.394	3.359	70	1	FGIF	
Cc1cc(-c2nc3cc([C@@H](N)N=O)ccc3[nH]2)ccc1S(=O)(=O)Cl	586928382	YYGZAVLLDLTWOX-AWEZNQCLSA-N	364.814	3.190	70	1	FGIF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(S(=O)(=O)Cl)cc1)O2	587408657	HOKCNNMVXVLJHO-KRWDZBQOSA-N	365.838	3.385	70	1	FGIF	
O=[N+]([O-])c1ccc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c2c1	587180784	MBEHRYYLUSLNHQ-UHFFFAOYSA-N	355.734	3.450	70	1	FGIF	
NC1=N[C@]2(c3cc(-c4cncnc4)ccc3OCC23CC3)C(F)(F)CS1	218011552	UMLIDFYGFDMIGZ-SFHVURJKSA-N	374.416	3.208	70	1	FGIF	
COc1cc(Cc2nc3ccccc3[nH]2)cc(S(=O)(=O)Cl)c1OC	586924593	GHCJFTLMMNUCIN-UHFFFAOYSA-N	366.826	3.098	70	1	FGIF	
N[C@H](N=O)c1ccc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c2c1	587178071	OOQZLBIVAFXDOQ-CYBMUJFWSA-N	368.777	3.265	70	1	FGIF	
C=CCN1CC[C@@H]2c3cccc(OS(=O)(=O)C(F)(F)F)c3CC[C@@H]21	36187788	JNAGEIMWCSOQKU-OCCSQVGLSA-N	361.385	3.205	70	1	FGIF	
CCCN[C@@H]1CCc2c(OS(=O)(=O)C(F)(F)F)cccc2[C@@H]1C	36216563	VQKRNRNICNEGLE-GXFFZTMASA-N	351.390	3.333	70	1	FGIF	
Cc1cc(-c2nc3c([N+](=O)[O-])cccc3[nH]2)ccc1S(=O)(=O)Cl	586928294	VAOOZOYKTHTURE-UHFFFAOYSA-N	351.771	3.374	70	1	FGIF	
Cc1cc(-c2nc3cc(C(=O)O)ccc3[nH]2)ccc1S(=O)(=O)Cl	586928355	YENYXMISCVHBMW-UHFFFAOYSA-N	350.783	3.164	70	1	FGIF	
O=S(=O)(Cl)c1cc(-c2nc3ccc(CO)cc3[nH]2)ccc1Cl	586927260	JWXFBYBDOXTWIP-UHFFFAOYSA-N	357.218	3.303	70	1	FGIF	
COc1nccc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c12	586927291	WFTAFKWAMOVCEE-UHFFFAOYSA-N	358.206	3.214	70	1	FGIF	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(S(=O)(=O)Cl)c1)O2	587409709	NVNDMYKPUHRFFQ-QGZVFWFLSA-N	365.838	3.385	70	1	FGIF	
COc1ccc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c2n1	586927413	MNCJQAPXKYMNNL-UHFFFAOYSA-N	358.206	3.214	70	1	FGIF	
CCCN1CC[C@H]2c3cccc(OS(=O)(=O)C(F)(F)F)c3CC[C@@H]21	36187789	ASMVKSNPCVNVFO-JSGCOSHPSA-N	363.401	3.429	70	1	FGIF	
Cc1ncc([C@]2(CNC(=O)c3cccc(Cl)c3Cl)CCOC2)cn1	217385256	UPZAMGNRGNYKDQ-KRWDZBQOSA-N	366.248	3.180	70	1	FGIF	
CCc1ccc(-c2nc3ccnc(OC)c3[nH]2)cc1S(=O)(=O)Cl	586926525	BBBGWEWRNPFJNJ-UHFFFAOYSA-N	351.815	3.123	70	1	FGIF	
CCCN1CC[C@H]2c3cccc(OS(=O)(=O)C(F)(F)F)c3CC[C@H]21	253635718	ASMVKSNPCVNVFO-GXTWGEPZSA-N	363.401	3.429	70	1	FGIF	
O=C(O)c1cccc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c12	587180780	LTJXNNUJYOGGOM-UHFFFAOYSA-N	354.746	3.240	70	1	FGIF	
CCc1ccc(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1S(=O)(=O)Cl	586926850	GJZSSWPJNIFUTR-UHFFFAOYSA-N	366.786	3.023	70	1	FGIF	
COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cccnc2[nH]1	586927215	DPEUXYUFXHAFAX-UHFFFAOYSA-N	358.206	3.214	70	1	FGIF	
Cc1ncc([C@@H](CNC(=O)c2ccccc2Cl)c2ccncc2)cn1	217373051	BKYFLXQYYUSRIL-KRWDZBQOSA-N	352.825	3.395	70	1	FGIF	
CCc1ccc(-c2nc3cc(OC)ncc3[nH]2)cc1S(=O)(=O)Cl	586927064	IKOPHTDVSMMURH-UHFFFAOYSA-N	351.815	3.123	70	1	FGIF	
CC(C)(C)[Si](F)(CCCn1cc(C[C@@H](N)C(=O)O)nn1)C(C)(C)C	210632980	DHWMVTHTVFYJSK-CYBMUJFWSA-N	358.534	3.138	70	1	FGIF	
COc1cc2c3c(c1)O[C@@](C)(c1ccc(S(=O)(=O)F)cc1)[C@@H](C2)C3=O	587429063	SWCFLFBHODCHJS-KSSFIOAISA-N	362.378	3.016	70	1	FGIF	
Cc1cc(-c2nc3cc(F)c(C(=O)O)cc3[nH]2)ccc1S(=O)(=O)Cl	586928259	SLYYAYNJNVZNAG-UHFFFAOYSA-N	368.773	3.303	70	1	FGIF	
NC1=N[C@@]2(c3cc(-c4cncnc4)ccc3OCC23CC3)C(F)(F)CS1	218011468	UMLIDFYGFDMIGZ-GOSISDBHSA-N	374.416	3.208	70	1	FGIF	
COc1cncc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c12	586926515	LVUOQZHAJJHAED-UHFFFAOYSA-N	358.206	3.214	70	1	FGIF	
N=C(N)c1ccc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c2c1	586926618	BSPWFXXMVKJVOX-UHFFFAOYSA-N	369.233	3.095	70	1	FGIF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(S(=O)(=O)Cl)c1)O2	587409707	NVNDMYKPUHRFFQ-KRWDZBQOSA-N	365.838	3.385	70	1	FGIF	
O[C@H](CNCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1)C(F)(F)F	218700687	OPQTXABBASEIKQ-GFCCVEGCSA-N	365.277	3.175	70	1	FGIF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(S(=O)(=O)Cl)cc1)O2	587410333	QTFWKXJMYMBDFE-HNNXBMFYSA-N	351.811	3.211	70	1	FGIF	
CCN(CC)CCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12	34801067	RIQXJVJIJZOICG-UHFFFAOYSA-N	364.389	3.281	70	1	FGIF	
Cc1cc(-c2nc3cc([C@H](N)N=O)ccc3[nH]2)ccc1S(=O)(=O)Cl	586928383	YYGZAVLLDLTWOX-CQSZACIVSA-N	364.814	3.190	70	1	FGIF	
O=S(=O)(F)c1ccc(Cl)c(-c2nc3cc4c(cc3[nH]2)OCO4)c1	587181174	UVQAKVFPIYNYTI-UHFFFAOYSA-N	354.746	3.270	70	1	FGIF	
C=CCN1CC[C@@H]2c3cccc(OS(=O)(=O)C(F)(F)F)c3CC[C@H]21	58677889	JNAGEIMWCSOQKU-TZMCWYRMSA-N	361.385	3.205	70	1	FGIF	
O=S(=O)(Cl)c1cc(-c2nc3c(Cl)ncnc3[nH]2)ccc1Cl	586926512	AWJJZFLVPMNXDQ-UHFFFAOYSA-N	363.613	3.254	70	1	FGIF	
COc1cncc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c12	586927591	OSRZZYJYEBEEDV-UHFFFAOYSA-N	358.206	3.214	70	1	FGIF	
C[C@@H](C(=O)Nc1ccncc1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1	44093667	AHNJEDYASUYHAY-SNVBAGLBSA-N	374.340	3.052	70	1	FGIF	
Cc1cc(-c2nc3c(C(=O)O)cccc3[nH]2)ccc1S(=O)(=O)Cl	586928375	YTTUWPILMOOQHB-UHFFFAOYSA-N	350.783	3.164	70	1	FGIF	
C=C(NC(=O)OC(C)(C)C)C(=O)Oc1c(F)c(F)c(F)c(F)c1F	2356820142	FIPGQSXGSUJBQP-UHFFFAOYSA-N	353.243	3.326	70	1	FGIF	
COc1cc2c3c(c1)O[C@](C)(c1ccc(S(=O)(=O)F)cc1)[C@@H](C2)C3=O	587429062	SWCFLFBHODCHJS-KBXCAEBGSA-N	362.378	3.016	70	1	FGIF	
O=[N+]([O-])c1cncc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c12	586927483	NPUCSTZPMJCOAJ-UHFFFAOYSA-N	373.177	3.114	70	1	FGIF	
N=C(N)c1ccc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c2c1	586928377	YVBAWHIIOLWKFP-UHFFFAOYSA-N	369.233	3.095	70	1	FGIF	
COC(=O)c1cccc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c12	587179991	CQRLZYGGKACCNY-UHFFFAOYSA-N	368.773	3.328	70	1	FGIF	
O=C(O)c1cc(F)cc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c12	587178190	UUQYGCIPGKGHPP-UHFFFAOYSA-N	372.736	3.379	70	1	FGIF	
O=S(=O)(Cl)c1cc(-c2nc3ccc(CCO)cc3[nH]2)ccc1Cl	586927073	INUJJLNZAHKQQV-UHFFFAOYSA-N	371.245	3.346	70	1	FGIF	
CCc1ccc(-c2nc3nc(Cl)c[nH]c-3n2)cc1S(=O)(=O)Cl	586926529	BBYMNAAWZXXPTB-UHFFFAOYSA-N	357.222	3.115	70	1	FGIF	
O=S(=O)(F)c1ccc(Cl)c(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)c1	587180547	KFXVXBBFJKCEMH-UHFFFAOYSA-N	366.761	3.123	70	1	FGIF	
O=[N+]([O-])c1cnc2[nH]c(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)nc2c1	586926600	NFYWGAWMWQDIJJ-UHFFFAOYSA-N	373.177	3.114	70	1	FGIF	
O=S(=O)(Cl)c1ccc(-c2nc3nc(Cl)c[nH]c-3n2)cc1Cl	586928349	YAFPRQVUNQXKQK-UHFFFAOYSA-N	363.613	3.206	70	1	FGIF