smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
C[C@H]1[C@H](Nc2ccc(C(F)(F)F)nn2)CCCN1C(=O)c1ccccc1-n1nccn1	218464965	RBHRSQXVNUFXSN-DZGCQCFKSA-N	431.422	3.181	70	1	IGIF	
O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@H](c3ccccc3OS(=O)(=O)F)N12	962671922	SIUIKGSADVPJGD-NQIIRXRSSA-N	430.457	3.016	70	1	IGIF	
COc1cc(Cc2nc3cc(Br)ncc3[nH]2)cc(S(=O)(=O)Cl)c1OC	586924680	HDOWTSBDLYEKCT-UHFFFAOYSA-N	446.710	3.256	70	1	IGIF	
Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H]3C[C@@H](Oc4ccc(C(F)(F)F)cn4)[C@H]2C3)n1	218512035	DIVFYQCMVDWPOD-KBRIMQKVSA-N	444.417	3.067	70	1	IGIF	
CC1(C)N=C(N)N=C(N)N1c1ccc(CCCCc2ccc(S(=O)(=O)F)cc2)cc1	43815915	XMPMFKKAHKTXFM-UHFFFAOYSA-N	431.537	3.096	70	1	IGIF	
CN(C)S(=O)(=O)c1cccc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c12	586926846	RCIDXTFZLBJFJA-UHFFFAOYSA-N	434.326	3.061	70	1	IGIF	
Cc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)c1	218533731	JXGLIITZXXQPKS-WMLDXEAASA-N	445.449	3.490	70	1	IGIF	
COc1cc(Cc2nc3c(Br)ccnc3[nH]2)cc(S(=O)(=O)Cl)c1OC	586925921	YUQDYOKWYREOFE-UHFFFAOYSA-N	446.710	3.256	70	1	IGIF	
O=C(c1cccc(S(=O)(=O)Cl)c1)c1c(CO)oc2cc(Br)cnc12	587276796	WJZGSGKOWOBHHR-UHFFFAOYSA-N	430.663	3.241	70	1	IGIF	
COc1cc(Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC	586924674	GYYLIOVSOHJYMS-UHFFFAOYSA-N	429.813	3.146	70	1	IGIF	
CC1(C)N=C(N)N=C(N)N1c1cccc(CCCCc2ccc(S(=O)(=O)F)cc2)c1	43307571	UHUCUIUNKNVIKF-UHFFFAOYSA-N	431.537	3.096	70	1	IGIF	
CN(C)S(=O)(=O)c1ccc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c2c1	586927567	ZZRBUOHDBICWJV-UHFFFAOYSA-N	434.326	3.061	70	1	IGIF	
COC(=O)COc1ccc(S(=O)(=O)Cl)cc1C#Cc1cc(Cl)ccc1OC	587918483	UCRHXCZDICBXJH-UHFFFAOYSA-N	429.277	3.228	70	1	IGIF	
COc1cc(Cc2nc3ccc(Br)nc3[nH]2)cc(S(=O)(=O)Cl)c1OC	586925216	NDGQNARAUSMQQC-UHFFFAOYSA-N	446.710	3.256	70	1	IGIF	
COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2nc(Br)c[nH]c-2n1	586925572	SWWUCEHTYQLJKS-UHFFFAOYSA-N	438.090	3.324	70	1	IGIF	
CC1(F)CCC(COc2cc(F)c(C(=O)NS(=O)(=O)N3CCC3)cc2Cl)CC1	218353838	IIIXSRRKCHEHBJ-UHFFFAOYSA-N	436.908	3.457	70	1	IGIF	
O=C(c1ccccc1-n1nccn1)N1C[C@H]2C[C@@H](Oc3ccc(C(F)(F)F)cn3)[C@H]1C2	218511699	PSWAVZZVHYHQBT-FSPWUOQZSA-N	429.402	3.363	70	1	IGIF	
COc1cc(Cc2nc3ccnc(Br)c3[nH]2)cc(S(=O)(=O)Cl)c1OC	586925852	WXRTVFJIGUONEA-UHFFFAOYSA-N	446.710	3.256	70	1	IGIF	
Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)c1Cl	586929716	ZFLVZERPZRAQGF-UHFFFAOYSA-N	448.353	3.370	70	1	IGIF	
COc1cccc(-c2cc3c(cc2[C@@H]2CCN(C)C[C@@H]2C)N2C(=NNC(=O)[C@H]2C)CO3)c1	217636985	NLMYDYRWFYMSLD-FRQCXROJSA-N	434.540	3.448	70	1	IGIF	
COc1cc(OC)c2[nH]c(Cc3cc(OC)c(OC)c(S(=O)(=O)Cl)c3)nc2c1	586925472	QNUMBYGGQBAUIV-UHFFFAOYSA-N	426.878	3.116	70	1	IGIF	
CCCn1c(=O)c2[nH]c(C3CCCCC3)nc2n(Cc2ccc(S(=O)(=O)F)cc2)c1=O	36123982	WAKCZXOWEGJALQ-UHFFFAOYSA-N	448.520	3.051	70	1	IGIF	
CC(C)(CCS(=O)(=O)Cl)[C@H]1N[C@H](C(=O)O)Cc2c1cc(F)cc2C(F)(F)F	962693807	GOEQXCXUYSYHBM-STQMWFEESA-N	431.835	3.469	70	1	IGIF	
Cc1nc([C@@]2(C)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)sc1S(=O)(=O)Cl	962719407	XVHVBMNWVYYAKQ-ABAIWWIYSA-N	438.880	3.288	70	1	IGIF	
NS(=O)(=O)c1ccc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2c1	586925846	WOPCSBMVKDUSNP-UHFFFAOYSA-N	440.717	3.112	70	1	IGIF	
Cc1cnc(C(=O)N2CCC[C@@H](Nc3ccc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)c1	218440224	QGYIVORADLUBGJ-GOEBONIOSA-N	445.449	3.490	70	1	IGIF	
COc1cc(Cc2nc3cc4c(cc3[nH]2)OCCCO4)cc(S(=O)(=O)Cl)c1OC	586925477	RCTFDTGAVSZUQL-UHFFFAOYSA-N	438.889	3.260	70	1	IGIF	
Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H]3C[C@@H](Oc4ncccc4C(F)(F)F)[C@H]2C3)n1	218387552	ZAUBOSKPBRXIFA-KBRIMQKVSA-N	444.417	3.067	70	1	IGIF	
O=C(c1ccccc1-n1nccn1)N1C[C@H]2C[C@@H](Oc3ccc(Br)cn3)[C@H]1C2	218375242	NLAPFONDAXCHAY-FSPWUOQZSA-N	440.301	3.107	70	1	IGIF	
CN(C)S(=O)(=O)c1ccc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c2c1	586927400	MFNZESTVMVIMDL-UHFFFAOYSA-N	434.326	3.061	70	1	IGIF	
CC1(C)N=C(N)N=C(N)N1c1cccc(CCCCc2cccc(S(=O)(=O)F)c2)c1	43300669	PJPGRWDAXRQCIQ-UHFFFAOYSA-N	431.537	3.096	70	1	IGIF	
C[C@H]1[C@H](Nc2cnc(C(F)(F)F)cn2)CCCN1C(=O)c1cc(F)ccc1-n1nccn1	218545993	FSJKTNCHWPGSBK-SWLSCSKDSA-N	449.412	3.320	70	1	IGIF	
COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc(S(=O)(=O)O)cc2[nH]1	586928386	YYOHECCDZXLORU-UHFFFAOYSA-N	437.282	3.066	70	1	IGIF	
COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1ccc(S(=O)(=O)Cl)cc1)[C@@H](C2)C3=O	587447427	AAKQMFZUONLXHJ-YWZLYKJASA-N	436.869	3.130	70	1	IGIF	
O=C(c1ccccc1-n1nccn1)N1C[C@H]2C[C@@H](Oc3ncccc3C(F)(F)F)[C@H]1C2	218387227	XPOSFFXHDZGZMB-FSPWUOQZSA-N	429.402	3.363	70	1	IGIF	
O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c1Cl	586926596	RMJLYPQTNJAAIB-UHFFFAOYSA-N	429.676	3.440	70	1	IGIF	
COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1ccc(S(=O)(=O)Cl)cc1)[C@@H](C2)C3=O	587447410	AAKQMFZUONLXHJ-MGPUTAFESA-N	436.869	3.130	70	1	IGIF	
CCc1ccc(-c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)cc1S(=O)(=O)Cl	586926682	CZNHLCRDLCGPEJ-UHFFFAOYSA-N	430.917	3.475	70	1	IGIF	
COc1cc(Cc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc(S(=O)(=O)Cl)c1OC	586925813	WJOWCXBRZZBENG-UHFFFAOYSA-N	446.815	3.420	70	1	IGIF	
COc1ccc(Cl)cc1C#Cc1cncc([N+](=O)[O-])c1OS(=O)(=O)C(F)(F)F	587914655	KRENYTPQXZFVBS-UHFFFAOYSA-N	436.751	3.280	70	1	IGIF	
Cc1nc([C@]2(C)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)sc1S(=O)(=O)Cl	962719419	XVHVBMNWVYYAKQ-XHDPSFHLSA-N	438.880	3.288	70	1	IGIF	
CCC[C@]1(C)C(=O)N(C2CCN(C(=O)CCl)CC2)N=C1c1ccc(OC)c(OC)c1	113272081	VTSXCXOPBSHSRJ-QFIPXVFZSA-N	435.952	3.286	70	1	IGIF	
Cc1cc(S(=O)(=O)Cl)cc(-c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)c1Cl	586929119	PTQPIAPOWHNMTK-UHFFFAOYSA-N	448.353	3.370	70	1	IGIF	
COc1cc(Cc2nc3cc(Cl)nc(C#N)c3[nH]2)cc(S(=O)(=O)Cl)c1OC	586924564	FVJBFNDCLDRLMU-UHFFFAOYSA-N	427.269	3.018	70	1	IGIF	
CC(C)(CCS(=O)(=O)Cl)[C@H]1N[C@@H](C(=O)O)Cc2c1cc(F)cc2C(F)(F)F	962693800	GOEQXCXUYSYHBM-OLZOCXBDSA-N	431.835	3.469	70	1	IGIF	
COc1cc(Cc2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC	586925588	TXBBANUNDRZQTA-UHFFFAOYSA-N	425.850	3.315	70	1	IGIF	
O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@@H](c3ccccc3OS(=O)(=O)F)N12	962671897	SIUIKGSADVPJGD-GHTZIAJQSA-N	430.457	3.016	70	1	IGIF	
C[C@H]1[C@H](Nc2nccc(C(F)(F)F)n2)CCCN1C(=O)c1c(F)cccc1-n1nccn1	218412804	KPIQVLHQOPQIDP-GXTWGEPZSA-N	449.412	3.320	70	1	IGIF	
COC12CC3C[C@@H](C1)C(Oc1cc(F)c(C(=O)NS(C)(=O)=O)cc1Cl)[C@@H](C3)C2	218399205	FNXZREYYNFEWSD-RAEWZCHXSA-N	431.913	3.141	70	1	IGIF	
O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@@H](c3ccccc3OS(=O)(=O)F)N12	962671927	SIUIKGSADVPJGD-RXVVDRJESA-N	430.457	3.016	70	1	IGIF	
COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc(S(C)(=O)=O)cc2[nH]1	586928103	PXFUZKCHIBMUGI-UHFFFAOYSA-N	435.310	3.223	70	1	IGIF	
CC(C)(CCS(=O)(=O)Cl)[C@@H]1N[C@H](C(=O)O)Cc2c1cc(F)cc2C(F)(F)F	962693803	GOEQXCXUYSYHBM-QWHCGFSZSA-N	431.835	3.469	70	1	IGIF	
Cc1ccc(C(=O)N2C[C@H]3C[C@@H](Oc4ccc(C(F)(F)F)cn4)[C@H]2C3)c(-n2nccn2)n1	218548268	FTIPLKXQDISZMV-KBRIMQKVSA-N	444.417	3.067	70	1	IGIF	
COc1cc2nc(Cc3cc(OC)c(OC)c(S(=O)(=O)Cl)c3)[nH]c2cc1OC	586925466	QDYLHGOISGPQJZ-UHFFFAOYSA-N	426.878	3.116	70	1	IGIF	
CCC[C@@]1(C)C(=O)N(C2CCN(C(=O)CCl)CC2)N=C1c1ccc(OC)c(OC)c1	113272079	VTSXCXOPBSHSRJ-JOCHJYFZSA-N	435.952	3.286	70	1	IGIF	
COc1cc(Cc2nc3cncc(Br)c3[nH]2)cc(S(=O)(=O)Cl)c1OC	586925948	ZIQPCPQZOMDTBF-UHFFFAOYSA-N	446.710	3.256	70	1	IGIF	
CCOC(=O)c1ccc2nc(Cc3cc(OC)c(OC)c(S(=O)(=O)Cl)c3)[nH]c2c1	586925513	SCQKQLXRYOEGCQ-UHFFFAOYSA-N	438.889	3.275	70	1	IGIF	
C[C@@H](/C(O)=N/S(=O)(=O)c1ccccc1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1	43587292	KJLPEWBCSJOVSV-LLVKDONJSA-N	437.417	3.364	70	1	IGIF	
CC(C)(CCS(=O)(=O)Cl)[C@@H]1N[C@@H](C(=O)O)Cc2c1cc(F)cc2C(F)(F)F	962693795	GOEQXCXUYSYHBM-CHWSQXEVSA-N	431.835	3.469	70	1	IGIF	
O=C1Cc2cc(Nc3nc(=NCc4cccc(S(=O)(=O)F)c4)[nH]cc3Cl)ccc2N1	1911578094	PWZVWZMMSGDROT-UHFFFAOYSA-N	447.879	3.060	70	1	IGIF	
CCN(CC)S(=O)(=O)c1ccc2[nH]c(-c3ccc(S(=O)(=O)Cl)c(C)c3)nc2c1	586928051	OQZFVLGKLMVBQT-UHFFFAOYSA-N	441.962	3.496	70	1	IGIF	
Cc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@H](Nc3ccc(C(F)(F)F)cn3)[C@@H]2C)n1	218426676	DLKBIPTYSSGNMW-GOEBONIOSA-N	445.449	3.490	70	1	IGIF	
COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc3c(cc2[nH]1)OCC(=O)N3	586928154	QJWDZRVOSILVAY-UHFFFAOYSA-N	428.253	3.150	70	1	IGIF	
Cc1nc([C@]2(C)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)sc1S(=O)(=O)Cl	962719409	XVHVBMNWVYYAKQ-IAQYHMDHSA-N	438.880	3.288	70	1	IGIF	
O=C(c1ccccc1-n1cnnc1)N1C[C@H]2C[C@@H](Oc3ccc(C(F)(F)F)cn3)[C@H]1C2	218547574	CTAUDMRXJCJSKS-FSPWUOQZSA-N	429.402	3.363	70	1	IGIF	
Cc1cc(-c2nc3ncc(I)cc3[nH]2)ccc1S(=O)(=O)Cl	586928054	OTLAMVVVZVCUDD-UHFFFAOYSA-N	433.658	3.465	70	1	IGIF	
COc1cc(Cc2nc3cc(Br)cnc3[nH]2)cc(S(=O)(=O)Cl)c1OC	586925564	SUHINRYUTVNWQD-UHFFFAOYSA-N	446.710	3.256	70	1	IGIF	
NS(=O)(=O)c1cccc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c12	586925235	NEDMZPLJBDQPTQ-UHFFFAOYSA-N	440.717	3.112	70	1	IGIF	
O=C(NS(=O)(=O)N1CCC1)c1cnc(OCC23CC4CC(CC(C4)C2)C3)c(C2CC2)c1	218506194	LATHVTUYKGMIPI-UHFFFAOYSA-N	445.585	3.235	70	1	IGIF	
Cc1nc([C@@]2(C)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)sc1S(=O)(=O)Cl	962719412	XVHVBMNWVYYAKQ-NHYWBVRUSA-N	438.880	3.288	70	1	IGIF	
CN(C)S(=O)(=O)c1cccc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c12	586928076	XZPIPTVSIKVJOI-UHFFFAOYSA-N	434.326	3.061	70	1	IGIF	
Cc1ccc(C(=O)N2CCC[C@@H](Nc3ccc(C(F)(F)F)cn3)[C@@H]2C)c(-n2ccnn2)n1	218533945	YRMUFQJLGZCJOK-WMLDXEAASA-N	445.449	3.490	70	1	IGIF	
O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@H](c3ccccc3OS(=O)(=O)F)N12	962671929	SIUIKGSADVPJGD-WIYYLYMNSA-N	430.457	3.016	70	1	IGIF	
Cc1cnc(C(=O)N2C[C@H]3C[C@@H](Oc4ccc(C(F)(F)F)cn4)[C@H]2C3)c(-n2nccn2)c1	218547914	OAQRBSBYWFGTPG-FRFSOERESA-N	444.417	3.067	70	1	IGIF	
C[C@H]1[C@H](Nc2ccc(C(F)(F)F)cn2)CCCN1C(=O)c1ncccc1-n1nccn1	218439899	NLUCVMHLJAHINB-DZGCQCFKSA-N	431.422	3.181	70	1	IGIF