smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Clc1cccc(CSCc2cc(-c3ccco3)on2)c1	218030565	NGRSFJUXIQSRQK-UHFFFAOYSA-N	305.786	5.021	70	20	DKID	
CC(C)c1ccc(NC(=O)CCCc2ccccn2)c(C(C)C)c1	217172525	NJOAMPXBZWERDG-UHFFFAOYSA-N	324.468	5.290	70	20	DKID	
Cc1nc2c(s1)[C@@H](N[C@@H](CC(C)C)c1cccs1)CCC2	161381794	FCODLIUWQJXXSG-GJZGRUSLSA-N	320.527	5.267	70	20	DKID	
COc1ccc([C@@H](N[C@@H](C)c2ccccc2Cl)C2CC2)cc1	218197397	CSNSITPSZRJYSA-DJJJIMSYSA-N	315.844	5.151	70	20	DKID	
CCC[C@H](NCc1cccc(C(F)(F)F)c1)c1ccccc1	217473786	HTMZRWCIGFPHKG-KRWDZBQOSA-N	307.359	5.336	70	20	DKID	
CC(C)(C)CC(C)(C)NC(=O)Nc1ccccc1C(F)(F)F	217304220	HUAQREVIFDATRE-UHFFFAOYSA-N	316.367	5.042	70	20	DKID	
Cc1ccccc1[C@@H](C)Nc1cccc(NC(=O)c2ccoc2)c1	159367780	DUAHBLYZBVLQEI-OAHLLOKOSA-N	320.392	5.013	70	20	DKID	
CCC[C@H](NCc1ccc(C)nc1)c1cccc(C(F)(F)F)c1	161312726	YTDMVYDXVDZOLN-KRWDZBQOSA-N	322.374	5.040	70	20	DKID	
CCc1ccc(CNC(c2cccs2)c2cccs2)cc1	217816901	VSGUNPFQKKGXTR-UHFFFAOYSA-N	313.491	5.251	70	20	DKID	
CC(C)(C)CCC(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1	159482806	CTFRZFHLDUGCSW-SFHVURJKSA-N	312.457	5.048	70	20	DKID	
COc1ccc([C@H](N[C@@H](C)c2ccccc2Cl)C2CC2)cc1	218197466	CSNSITPSZRJYSA-ORAYPTAESA-N	315.844	5.151	70	20	DKID	
CC(C)c1ccc(NC(=O)N2CCCC2(C)C)c(C(C)C)c1	216794753	FJDYWWTUHZBEBW-UHFFFAOYSA-N	302.462	5.340	70	20	DKID	
C[C@H](N[C@H](C)c1ccc(Cl)s1)c1cccc(F)c1F	159494036	NWBOLNURZLNATL-DTWKUNHWSA-N	301.789	5.092	70	20	DKID	
C[C@H](NCc1cc(F)cc(Cl)c1)c1cc2ccccc2o1	160865140	NJHRYYDOTCVLKC-NSHDSACASA-N	303.764	5.076	70	20	DKID	
COc1ccc([C@@H](N[C@H](C)c2ccccc2Cl)C2CC2)cc1	218197540	CSNSITPSZRJYSA-YJYMSZOUSA-N	315.844	5.151	70	20	DKID	
COc1ccc(N[C@@H]2C[C@H](C)Sc3sccc32)c(C)c1	216991482	CKDUIRKYAJCBTM-XHDPSFHLSA-N	305.468	5.103	70	20	DKID	
Fc1ccc(Cl)cc1CNc1cccc(-c2nccs2)c1	160776800	RXCURRYRDBSUIM-UHFFFAOYSA-N	318.804	5.215	70	20	DKID	
CCN(Cc1ccccc1)C(=O)Nc1ccc(C(C)(C)C)cc1	217301269	FYIPYPZOOLLSMI-UHFFFAOYSA-N	310.441	5.038	70	20	DKID	
CSc1cccc(N[C@H]2C[C@H](C)Sc3sccc32)c1	216996292	KLGJDPVVDHHVMU-HZMBPMFUSA-N	307.509	5.508	70	20	DKID	
C[C@H](N[C@H](C)c1cccc(F)c1F)c1ccc(Cl)s1	159493915	NWBOLNURZLNATL-BDAKNGLRSA-N	301.789	5.092	70	20	DKID	
CC(C)c1ccc([C@H](N[C@H](C)c2cncs2)C(C)C)cc1	160414522	AZRQJBFHIXHYKM-RDTXWAMCSA-N	302.487	5.314	70	20	DKID	
CCOc1cccc(N[C@H]2C[C@H](C)Sc3sccc32)c1	216991387	VSGIWUXVBFZHBK-NHYWBVRUSA-N	305.468	5.184	70	20	DKID	
CCc1nc(C)c([C@H](C)N[C@H](C)c2cc3ccccc3o2)s1	159887735	NFLSAIHWDJXXNR-NEPJUHHUSA-N	314.454	5.172	70	20	DKID	
Cc1cccc(C(C)C)c1NC(=O)c1cccc(Cl)c1F	159576063	QCYNBEKVVUDFTB-UHFFFAOYSA-N	305.780	5.163	70	20	DKID	
COc1ccc(C)cc1N[C@@H]1C[C@H](C)Sc2sccc21	217000309	MJINZOLXZAZRIM-WCQYABFASA-N	305.468	5.103	70	20	DKID	
C[C@@H](N[C@H](C)c1cccc(F)c1F)c1ccc(Cl)s1	159494185	NWBOLNURZLNATL-RKDXNWHRSA-N	301.789	5.092	70	20	DKID	
Cc1cscc1NC(=O)Nc1cccc(Cl)c1Cl	159683855	SRSPWPMSQMAOKE-UHFFFAOYSA-N	301.198	5.007	70	20	DKID	
Cc1ccc(F)c(C(=O)Nc2cc(Cl)c(C)cc2Cl)c1	159490445	LCZKXVYDIVYRCN-UHFFFAOYSA-N	312.171	5.002	70	20	DKID	
C[C@@H](NCc1cccc2cc[nH]c12)c1ccc(Cl)cc1Cl	218067791	RRSYXNAIEZSHQX-LLVKDONJSA-N	319.235	5.326	70	20	DKID	
CCc1nc(C)c([C@@H](C)N[C@@H](C)c2cc3ccccc3o2)s1	159887320	NFLSAIHWDJXXNR-NWDGAFQWSA-N	314.454	5.172	70	20	DKID	
CC(=O)c1ccc(C(=O)Nc2ccc(C(C)C)cc2C(C)C)cc1	217116777	RTJKMTGSXPGDDK-UHFFFAOYSA-N	323.436	5.388	70	20	DKID	
CCC[C@@H](NCc1cccc(C(F)(F)F)c1)c1ccccc1	217473863	HTMZRWCIGFPHKG-QGZVFWFLSA-N	307.359	5.336	70	20	DKID	
Cc1ccc(N[C@@H](C)c2ccccc2C)cc1NC(=O)C(C)(C)C	159561940	ZAXAYDMGVMLKDJ-INIZCTEOSA-N	324.468	5.461	70	20	DKID	
C[C@@H](NCc1cccc2cc[nH]c12)c1ccc(Cl)c(Cl)c1	218065521	DQEHZIOXMXZACV-LLVKDONJSA-N	319.235	5.326	70	20	DKID	
CC[C@@H](Nc1ccc(Cl)c(NC(C)=O)c1)c1ccc(F)cc1	160827795	LYKBVGYHYKSBDD-MRXNPFEDSA-N	320.795	5.001	70	20	DKID	
Cc1ccc(NC(=O)c2cc(C)c(F)cc2Cl)c(Cl)c1	161198294	RELSMMHRTAIVDU-UHFFFAOYSA-N	312.171	5.002	70	20	DKID	
Cc1cc(Cl)c(NC(=O)c2cccc(C)c2F)cc1Cl	159490030	ZYYOERBDRIFNRC-UHFFFAOYSA-N	312.171	5.002	70	20	DKID	
CC(C)c1ccc([C@@H](N[C@H](C)c2cncs2)C(C)C)cc1	160414645	AZRQJBFHIXHYKM-KDOFPFPSSA-N	302.487	5.314	70	20	DKID	
CCOc1ccccc1N[C@H]1C[C@H](C)Sc2sccc21	216999293	SAKNDONBXLGNIW-FZMZJTMJSA-N	305.468	5.184	70	20	DKID	
Cc1cc(N(C)C)ccc1N[C@H]1C[C@H](C)Sc2sccc21	216881872	WPJLXFVVJPVUKG-LRDDRELGSA-N	318.511	5.160	70	20	DKID	
Cc1cccc(NC(=O)Nc2cc(Cl)ccc2Cl)c1C	217302671	FGXYRLHZDAGYRL-UHFFFAOYSA-N	309.196	5.254	70	20	DKID	
CCC[C@@H](NCc1ccc(C)nc1)c1cccc(C(F)(F)F)c1	161312854	YTDMVYDXVDZOLN-QGZVFWFLSA-N	322.374	5.040	70	20	DKID	
CCc1cccc(CC)c1NC(=O)c1csc2ccccc12	217162624	PPXRCGIHNKMBAA-UHFFFAOYSA-N	309.434	5.278	70	20	DKID	
O=C(CCc1ccsc1)Nc1ccccc1Nc1ccccc1	216643941	RHNFIKJKKJZHRI-UHFFFAOYSA-N	322.433	5.063	70	20	DKID	
CC(C)(C)CCC(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1	159482658	CTFRZFHLDUGCSW-GOSISDBHSA-N	312.457	5.048	70	20	DKID	
CCc1cccc(C)c1NC(=O)c1cc2cc(F)ccc2s1	216802406	BVWXIRBDLQAQSD-UHFFFAOYSA-N	313.397	5.164	70	20	DKID	
Cc1nc2c(s1)[C@H](N[C@@H](CC(C)C)c1cccs1)CCC2	161381654	FCODLIUWQJXXSG-CABCVRRESA-N	320.527	5.267	70	20	DKID	
CC(C)CN(CC(C)C)C(=O)Nc1cc(Cl)ccc1Cl	217302725	UUFAQSYWBQSSEG-UHFFFAOYSA-N	317.260	5.139	70	20	DKID	
C[C@@H](NCc1cc(F)cc(Cl)c1)c1cc2ccccc2o1	160865264	NJHRYYDOTCVLKC-LLVKDONJSA-N	303.764	5.076	70	20	DKID	
CC[C@@H]1CCCCN1C(=O)Nc1ccc(-c2ccccc2)cc1	217269055	WMKROBBBEYROTO-LJQANCHMSA-N	308.425	5.150	70	20	DKID	
Cc1nc2c(s1)[C@@H](N[C@H](CC(C)C)c1cccs1)CCC2	161382054	FCODLIUWQJXXSG-LSDHHAIUSA-N	320.527	5.267	70	20	DKID	
CCc1ccc(CNC(c2cccs2)c2cccs2)s1	217816659	AJKMFZDYGNIMNL-UHFFFAOYSA-N	319.520	5.313	70	20	DKID	
Cc1ccc(NC(=O)Nc2cc(Cl)ccc2Cl)c(C)c1	217302672	XEILSLWGUKMNBH-UHFFFAOYSA-N	309.196	5.254	70	20	DKID	
CSc1ccc([C@@H](C)NCc2cc(F)cc(Cl)c2)cc1	160853534	FIYXMGQDYRLCDO-LLVKDONJSA-N	309.837	5.052	70	20	DKID	
COc1ccsc1C(=O)Nc1ccc(C(C)C)cc1C(C)C	216936960	OHGCSYWBFXGOIB-UHFFFAOYSA-N	317.454	5.256	70	20	DKID	
Cc1cc(N(C)C)ccc1N[C@@H]1C[C@H](C)Sc2sccc21	216881827	WPJLXFVVJPVUKG-BLLLJJGKSA-N	318.511	5.160	70	20	DKID	
CCc1nc(C)c([C@H](C)N[C@@H](C)c2cc3ccccc3o2)s1	159887458	NFLSAIHWDJXXNR-RYUDHWBXSA-N	314.454	5.172	70	20	DKID	
CSc1ccc([C@H](C)NCc2cc(F)cc(Cl)c2)cc1	160853412	FIYXMGQDYRLCDO-NSHDSACASA-N	309.837	5.052	70	20	DKID	
CC(C)c1ccc(NC(=O)N(C)CC2CCC2)c(C(C)C)c1	217147064	JNCPQQIKJFRFIN-UHFFFAOYSA-N	302.462	5.197	70	20	DKID	
Cc1ccc(C)c(NC(=O)Nc2cc(Cl)ccc2Cl)c1	217302727	SOHWIDARCARQFE-UHFFFAOYSA-N	309.196	5.254	70	20	DKID	
CCOc1ccc(N[C@H]2C[C@H](C)Sc3sccc32)cc1	216998417	ADXJVZYLJFZXOK-NHYWBVRUSA-N	305.468	5.184	70	20	DKID	
C[C@H](N[C@@H](C)c1cccc(F)c1F)c1ccc(Cl)s1	159493783	NWBOLNURZLNATL-IUCAKERBSA-N	301.789	5.092	70	20	DKID	
Cc1cc(O)ccc1NC(=O)Nc1ccc(-c2ccccc2)cc1	217268897	UPCLVHQPSNCMMW-UHFFFAOYSA-N	318.376	5.012	70	20	DKID	
CSc1cccc(N[C@@H]2C[C@H](C)Sc3sccc32)c1	216996303	KLGJDPVVDHHVMU-IINYFYTJSA-N	307.509	5.508	70	20	DKID	
C[C@@H](SCc1ccc2ccccc2c1)C(=O)Nc1ccccc1	218032348	OOUYLVIMWUJGJG-OAHLLOKOSA-N	321.445	5.100	70	20	DKID	
Fc1cc(Cl)ccc1CNc1cccc(-c2nccs2)c1	160776660	NQDNQBOOFLGOSS-UHFFFAOYSA-N	318.804	5.215	70	20	DKID	
C[C@H](NCc1cccc2cc[nH]c12)c1ccc(Cl)cc1Cl	218067885	RRSYXNAIEZSHQX-NSHDSACASA-N	319.235	5.326	70	20	DKID	
CSc1ccc(N[C@@H]2C[C@H](C)Sc3sccc32)cc1	216993010	XWPYLYPWIYPRAR-IINYFYTJSA-N	307.509	5.508	70	20	DKID	
COc1cc(C)ccc1N[C@@H]1C[C@H](C)Sc2sccc21	216991807	BBXCSLZVXILIHL-SMDDNHRTSA-N	305.468	5.103	70	20	DKID	
CC[C@H]1CCCCN1C(=O)Nc1ccc(-c2ccccc2)cc1	217269057	WMKROBBBEYROTO-IBGZPJMESA-N	308.425	5.150	70	20	DKID	
CCc1nc(C)c([C@@H](C)N[C@H](C)c2cc3ccccc3o2)s1	159887578	NFLSAIHWDJXXNR-VXGBXAGGSA-N	314.454	5.172	70	20	DKID	
COc1ccc(N[C@H]2C[C@H](C)Sc3sccc32)c(C)c1	216991492	CKDUIRKYAJCBTM-NHYWBVRUSA-N	305.468	5.103	70	20	DKID	
CC(C)c1ccc([C@@H](N[C@@H](C)c2cncs2)C(C)C)cc1	160414423	AZRQJBFHIXHYKM-KSSFIOAISA-N	302.487	5.314	70	20	DKID	
CN(C(=O)Nc1ccc(-c2ccccc2)cc1)C1CCCCC1	217268864	HXTSXMSLEZZTJW-UHFFFAOYSA-N	308.425	5.150	70	20	DKID	
Cc1ccccc1[C@H](C)Nc1cccc(NC(=O)c2ccoc2)c1	159367942	DUAHBLYZBVLQEI-HNNXBMFYSA-N	320.392	5.013	70	20	DKID	
COc1cc(C)ccc1N[C@H]1C[C@H](C)Sc2sccc21	216991819	BBXCSLZVXILIHL-FZMZJTMJSA-N	305.468	5.103	70	20	DKID	
C[C@H](NCc1cccc2cc[nH]c12)c1ccc(Cl)c(Cl)c1	218065605	DQEHZIOXMXZACV-NSHDSACASA-N	319.235	5.326	70	20	DKID	
CC(C)(C)c1ccccc1NC(=O)NCCC1CCCCC1	217305199	BPAKBYZITQAWNJ-UHFFFAOYSA-N	302.462	5.076	70	20	DKID	
Cc1ccc(C(=O)Nc2cc(Cl)c(C)cc2Cl)c(F)c1	159491708	GGCPNQUINPANCJ-UHFFFAOYSA-N	312.171	5.002	70	20	DKID	
CC(C)c1ccc([C@H](N[C@@H](C)c2cncs2)C(C)C)cc1	160414300	AZRQJBFHIXHYKM-KBXCAEBGSA-N	302.487	5.314	70	20	DKID	
Cc1cc(C)c(NC(=O)c2cc3cc(F)ccc3s2)c(C)c1	216802145	XHAPMOBZYVKJOU-UHFFFAOYSA-N	313.397	5.218	70	20	DKID	
c1cc(SCc2ccc(CSc3ccncc3)cc2)ccn1	160018283	BQKMNTGRKRESFQ-UHFFFAOYSA-N	324.474	5.061	70	20	DKID	
CCOc1ccccc1N[C@@H]1C[C@H](C)Sc2sccc21	216999285	SAKNDONBXLGNIW-SMDDNHRTSA-N	305.468	5.184	70	20	DKID	
COc1ccc([C@H](N[C@H](C)c2ccccc2Cl)C2CC2)cc1	218197636	CSNSITPSZRJYSA-BFUOFWGJSA-N	315.844	5.151	70	20	DKID	
C[C@H]1C[C@H](Nc2cccc3ccncc23)c2ccsc2S1	216909321	XRSMTOYJJSEUMS-ZBEGNZNMSA-N	312.463	5.334	70	20	DKID	
Cc1nc(-c2ccccc2NC(=O)CC2CCCCC2)cs1	218569842	CJVNAHVFBDNIMU-UHFFFAOYSA-N	314.454	5.027	70	20	DKID	
CSc1ccc(N[C@H]2C[C@H](C)Sc3sccc32)cc1	216993000	XWPYLYPWIYPRAR-HZMBPMFUSA-N	307.509	5.508	70	20	DKID	
c1cc2c(s1)CCC[C@@H]2NCc1cnc(C2CCCC2)s1	160972866	YIJWQIZGBVTFRM-HNNXBMFYSA-N	318.511	5.029	70	20	DKID	
Cc1ccc(N[C@H](C)c2ccccc2C)cc1NC(=O)C(C)(C)C	159561803	ZAXAYDMGVMLKDJ-MRXNPFEDSA-N	324.468	5.461	70	20	DKID	
COc1ccc(C)cc1N[C@H]1C[C@H](C)Sc2sccc21	217000321	MJINZOLXZAZRIM-AAEUAGOBSA-N	305.468	5.103	70	20	DKID	
c1cc2c(s1)CCC[C@H]2NCc1cnc(C2CCCC2)s1	160972734	YIJWQIZGBVTFRM-OAHLLOKOSA-N	318.511	5.029	70	20	DKID	
CCOc1ccc(N[C@@H]2C[C@H](C)Sc3sccc32)cc1	216998407	ADXJVZYLJFZXOK-XHDPSFHLSA-N	305.468	5.184	70	20	DKID	
CCOc1cccc(N[C@@H]2C[C@H](C)Sc3sccc32)c1	216991378	VSGIWUXVBFZHBK-XHDPSFHLSA-N	305.468	5.184	70	20	DKID	
c1ccc(CSc2ccncc2)c(CSc2ccncc2)c1	160021045	MGKJZZCUXXJGON-UHFFFAOYSA-N	324.474	5.061	70	20	DKID	
Cc1cc(Cl)c(NC(=O)c2ccc(F)cc2C)cc1Cl	159492506	OXZNKYRBARYEPF-UHFFFAOYSA-N	312.171	5.002	70	20	DKID	
CC[C@H](Nc1ccc(Cl)c(NC(C)=O)c1)c1ccc(F)cc1	160827646	LYKBVGYHYKSBDD-INIZCTEOSA-N	320.795	5.001	70	20	DKID	
CSc1ccc(C(=O)Nc2ccc(C(C)C)cc2C(C)C)o1	217158311	MSWUGJZCGHZJLI-UHFFFAOYSA-N	317.454	5.501	70	20	DKID	
Cc1ccccc1NC(=O)Nc1ccc(-c2ccccc2)cc1	217268819	NFKSNAPZSUYKSZ-UHFFFAOYSA-N	302.377	5.306	70	20	DKID	
Cc1nc2c(s1)[C@H](N[C@H](CC(C)C)c1cccs1)CCC2	161381919	FCODLIUWQJXXSG-HUUCEWRRSA-N	320.527	5.267	70	20	DKID	
C[C@H]1C[C@@H](Nc2cccc3ccncc23)c2ccsc2S1	216909350	XRSMTOYJJSEUMS-MEDUHNTESA-N	312.463	5.334	70	20	DKID	
CCN(Cc1ccccc1)C(=O)Nc1cc(Cl)ccc1Cl	217302691	HRTRIWCRTPAOMG-UHFFFAOYSA-N	323.223	5.047	70	20	DKID	
C[C@H](SCc1ccc2ccccc2c1)C(=O)Nc1ccccc1	218032430	OOUYLVIMWUJGJG-HNNXBMFYSA-N	321.445	5.100	70	20	DKID