smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CC1(C)N=C(N)N=C(N)N1c1ccc(CCc2ccc(S(=O)(=O)F)cc2)c(Cl)c1	43300439	DRXFUCPIPWOMGU-UHFFFAOYSA-N	437.928	2.969	70	1	IFIF	
CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccccc2S(=O)(=O)F)c(Cl)c1	43300563	KIBWWOFNWSHFON-UHFFFAOYSA-N	439.900	2.763	70	1	IFIF	
CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2cccc(S(=O)(=O)F)c2)c(Cl)c1	43307584	FEEGXWUMIRSYES-UHFFFAOYSA-N	439.900	2.763	70	1	IFIF	
CC1=C[C@]2(/C(=C\S(=O)(=O)Cl)NN1)c1cccc(F)c1CCN2[C@H]1CCSC1	962698003	IVGMLWMWYJXDFV-KJBJRLJWSA-N	429.970	2.806	70	1	IFIF	
COc1cc(Cc2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc(S(=O)(=O)Cl)c1OC	586925820	WKKSZITWCVDKBQ-UHFFFAOYSA-N	435.889	2.983	70	1	IFIF	
COc1cc(Cc2nc3cc(F)cc(C(=O)O)c3[nH]2)cc(S(=O)(=O)Cl)c1OC	586924373	CZASCNHXSUNELM-UHFFFAOYSA-N	428.825	2.936	70	1	IFIF	
O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@]2(CCc3cc(S(=O)(=O)Cl)ccc32)N1	963227084	FJZRPANKMOPRMJ-TZIWHRDSSA-N	428.897	2.951	70	1	IFIF	
Cc1ccc(C(=O)N2CCC[C@@H](Nc3cnc(C(F)(F)F)cn3)[C@@H]2C)c(-n2ccnn2)n1	218534153	WTIKCHCKZINZAY-DZGCQCFKSA-N	446.437	2.885	70	1	IFIF	
COc1ccc(Cl)cc1C#Cc1cc2c(cc1S(=O)(=O)Cl)n(C)c(=O)n2C	587918163	DTUANBLPEIAZIG-UHFFFAOYSA-N	425.293	2.866	70	1	IFIF	
COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(CC(=O)N(C)C)[C@H](CO)C3)cc12	217692262	YJWQVMVMQUCUSN-KRWDZBQOSA-N	438.503	2.916	70	1	IFIF	
O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@]2(CCc3cc(S(=O)(=O)Cl)ccc32)N1	963227066	FJZRPANKMOPRMJ-CTNGQTDRSA-N	428.897	2.951	70	1	IFIF	
COc1cc(Cc2nc3nc(Br)c[nH]c-3n2)cc(S(=O)(=O)Cl)c1OC	586925481	REXWYGRKODRIGI-UHFFFAOYSA-N	447.698	2.603	70	1	IFIF	
C[C@@H](/C(O)=N/S(=O)(=O)C(F)(F)F)c1ccc(OS(=O)(=O)C(F)(F)F)cc1	43587265	DCPLGXALZGZMDT-ZCFIWIBFSA-N	429.316	2.825	70	1	IFIF	
Cc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(S(=O)(=O)Cl)nn1C	587896463	PDZYKXJLQMNNDE-UHFFFAOYSA-N	434.732	2.673	70	1	IFIF	
N#C[C@]12CCC3(OCCO3)C3=CO[C@H](Cc4cc(OS(=O)(=O)C(F)(F)F)ccc41)[C@@H]32	49763020	ROKPDZITFVOBPM-BRWVUGGUSA-N	443.399	2.668	70	1	IFIF	
CC1=C[C@]2(/C(=C\S(=O)(=O)Cl)NN1)c1cccc(F)c1CCN2[C@@H]1CCSC1	962697992	IVGMLWMWYJXDFV-AFBNYWALSA-N	429.970	2.806	70	1	IFIF	
COc1cc2c3c(c1)O[C@]1(C(=[N+]=[N-])C=C(S(=O)(=O)Cl)c4ccccc41)[C@@H](C2)C3=O	587450719	UKHXCEHNFFNXAR-XOBRGWDASA-N	428.853	2.932	70	1	IFIF	
NC[C@H]1CCCN1S(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1	218627458	KWSUUQXGTXCONR-OAHLLOKOSA-N	427.505	2.644	70	1	IFIF	
COc1cc(Cc2nc3cnc(C(F)(F)F)[nH]c-3n2)cc(S(=O)(=O)Cl)c1OC	586925469	QIWLKYVLBHGKRQ-UHFFFAOYSA-N	436.799	2.859	70	1	IFIF	
CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccc(S(=O)(=O)F)cc2)c(Cl)c1	43300462	JOPCUERNPQCTBV-UHFFFAOYSA-N	439.900	2.763	70	1	IFIF	
COc1cc(Cc2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC	586924321	ANFANMLDSBFOPT-UHFFFAOYSA-N	437.905	2.800	70	1	IFIF	
CCc1ccc(-c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cc1S(=O)(=O)Cl	586927854	SQFBMEUJIZULDZ-UHFFFAOYSA-N	427.935	2.970	70	1	IFIF	
O=C(c1ncccc1-n1nccn1)N1C[C@H]2C[C@@H](Oc3ccc(C(F)(F)F)cn3)[C@H]1C2	218548638	FLULXEHMBMNJCY-DAXOMENPSA-N	430.390	2.758	70	1	IFIF	
CCc1ccc(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc1S(=O)(=O)Cl	586927661	PYGZXKXYVVKSSC-UHFFFAOYSA-N	427.935	2.970	70	1	IFIF	
CC1=C[C@]2(/C(=C/S(=O)(=O)Cl)NN1)c1cccc(F)c1CCN2[C@H]1CCSC1	962698005	IVGMLWMWYJXDFV-MKSIVCOJSA-N	429.970	2.806	70	1	IFIF	
COc1cc(Cc2nc3cc(C(=O)O)c(F)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC	586924358	CJNPJOKOUIKOBX-UHFFFAOYSA-N	428.825	2.936	70	1	IFIF	
Cc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)n1	218545654	JTVBTTLMGGYEPR-XJKSGUPXSA-N	446.437	2.885	70	1	IFIF	
COc1cc2c3c(c1)O[C@@]1(C(=[N+]=[N-])C=Cc4c1cccc4S(=O)(=O)Cl)[C@@H](C2)C3=O	587447680	CPVOXRZMTFOPBZ-VBKZILBWSA-N	428.853	2.963	70	1	IFIF	
COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(CC(=O)N(C)C)[C@@H](CO)C3)cc12	217692184	YJWQVMVMQUCUSN-QGZVFWFLSA-N	438.503	2.916	70	1	IFIF	
CC1=C[C@]2(/C(=C/S(=O)(=O)Cl)NN1)c1cccc(F)c1CCN2[C@@H]1CCSC1	962697999	IVGMLWMWYJXDFV-GOYIASJBSA-N	429.970	2.806	70	1	IFIF	
CC1(C)N=C(N)N=C(N)N1c1ccc(Cl)c(CCc2ccc(S(=O)(=O)F)cc2)c1	43871807	VPMCEIBWCMWJJL-UHFFFAOYSA-N	437.928	2.969	70	1	IFIF	
O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@]2(CCc3cc(S(=O)(=O)Cl)ccc32)N1	963227070	FJZRPANKMOPRMJ-FPOVZHCZSA-N	428.897	2.951	70	1	IFIF	
COc1cc2c3c(c1)O[C@]1(C(=[N+]=[N-])C=Cc4c1cccc4S(=O)(=O)Cl)[C@@H](C2)C3=O	587447681	CPVOXRZMTFOPBZ-XOBRGWDASA-N	428.853	2.963	70	1	IFIF	
C[C@@H](/C(O)=N/S(=O)(=O)c1cccnc1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1	43587294	AFILUQSERMWDHL-SNVBAGLBSA-N	438.405	2.759	70	1	IFIF	
O=C(c1ccccc1-n1nccn1)N1C[C@H]2C[C@@H](Oc3cnc(C(F)(F)F)cn3)[C@H]1C2	218511035	CWZJPIYFFDDMCP-DAXOMENPSA-N	430.390	2.758	70	1	IFIF	
COc1cc(Cc2nc3ccc(S(C)(=O)=O)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC	586924286	ACKBDFQSRJLBJS-UHFFFAOYSA-N	444.918	2.502	70	1	IFIF	
Cc1cnc(C(=O)N2CCC[C@@H](Nc3ncc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)c1	218534050	GJNMWMFMBLUHOI-DZGCQCFKSA-N	446.437	2.885	70	1	IFIF	
O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@]2(CCc3cc(S(=O)(=O)Cl)ccc32)N1	963227078	FJZRPANKMOPRMJ-PZJWPPBQSA-N	428.897	2.951	70	1	IFIF	
O=C1OCc2cc(CCC3(F)CCN(C(=O)Cc4ccc(-n5cnnn5)cc4)CC3)ccc21	218511675	VYLNAVUTPJRLHH-UHFFFAOYSA-N	449.486	2.839	70	1	IFIF	
COc1cc2c3c(c1)O[C@@]1(C(=[N+]=[N-])C=C(S(=O)(=O)Cl)c4ccccc41)[C@@H](C2)C3=O	587450716	UKHXCEHNFFNXAR-VBKZILBWSA-N	428.853	2.932	70	1	IFIF	
COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc(-n3cnnn3)cc2[nH]1	586927856	LDYACBIPGNCZCO-UHFFFAOYSA-N	425.257	2.795	70	1	IFIF	
O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3c(O)nc(O)nc3[nH]2)c1	586926360	KSLISHDABCBFRP-UHFFFAOYSA-N	440.062	2.775	70	1	IFIF