smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
S=C(Nc1ccccc1)Sc1ccc(Cl)cc1	ZINC000001661301	567840429	/nfs/dbraw/zinc/84/04/29/567840429.db2.gz	GYDVEUINDWKQLV-UHFFFAOYSA-N	0	2	279.817	4.829	40	0		CJABLN
CC(C)(C)c1ccc(OC(=S)Nc2ccccc2)cc1	ZINC000005714849	567859698	/nfs/dbraw/zinc/85/96/98/567859698.db2.gz	ITICEEOOQXSXOI-UHFFFAOYSA-N	0	2	285.412	4.760	40	0		CJABLN
CSc1ccc(NC(=S)SC(C)C)cc1Cl	ZINC000005732975	170134772	/nfs/dbraw/zinc/13/47/72/170134772.db2.gz	IBCJWGQNUMMXCO-UHFFFAOYSA-N	0	2	291.894	4.900	40	0		CJABLN
Cc1ccc(NC(=S)SCc2ccco2)cc1Cl	ZINC000006488196	170205305	/nfs/dbraw/zinc/20/53/05/170205305.db2.gz	FWOWEFDSLVJYGU-UHFFFAOYSA-N	0	2	297.832	4.872	40	0		CJABLN
Fc1ccc(CSC(=S)Nc2cccc(F)c2)cc1	ZINC000006511665	534471230	/nfs/dbraw/zinc/47/12/30/534471230.db2.gz	FTADPTNWGQDBRB-UHFFFAOYSA-N	0	2	295.379	4.595	40	0		CJABLN
CSc1ccccc1NC(=S)Nc1ccc(C)cc1	ZINC000006966311	170259685	/nfs/dbraw/zinc/25/96/85/170259685.db2.gz	WOOJKARBNHBWBL-UHFFFAOYSA-N	0	2	288.441	4.526	40	0		CJABLN
S=C(Nc1ccccc1)O[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	ZINC000016490074	566971580	/nfs/dbraw/zinc/97/15/80/566971580.db2.gz	UKHKQZCKYSOHDH-SQWLQELKSA-N	0	2	289.444	4.759	40	0		CJABLN
S=C(Nc1ccccc1)O[C@@H]1CC[C@H]2CCCC[C@@H]2C1	ZINC000016490084	566971007	/nfs/dbraw/zinc/97/10/07/566971007.db2.gz	UKHKQZCKYSOHDH-IIAWOOMASA-N	0	2	289.444	4.759	40	0		CJABLN
O=C(Nc1ccc(S)cc1)Nc1cccc2ccccc21	ZINC000016544984	567872844	/nfs/dbraw/zinc/87/28/44/567872844.db2.gz	QHIISLKUHRKPRC-UHFFFAOYSA-N	0	2	294.379	4.773	40	0		CJABLN
O=C(Nc1ccccc1S)Nc1cccc2ccccc21	ZINC000016544997	567872945	/nfs/dbraw/zinc/87/29/45/567872945.db2.gz	OYEXUPREXUDZOH-UHFFFAOYSA-N	0	2	294.379	4.773	40	0		CJABLN
CCSc1ccccc1NC(=S)Nc1ccccc1	ZINC000044903470	175274960	/nfs/dbraw/zinc/27/49/60/175274960.db2.gz	AMIMOUSJBUREAI-UHFFFAOYSA-N	0	2	288.441	4.608	40	0		CJABLN
Cc1cccc2sc(Nc3nc4ccccc4s3)nc21	ZINC000057352453	566979955	/nfs/dbraw/zinc/97/99/55/566979955.db2.gz	FZLUWXUNNZVFGB-UHFFFAOYSA-N	0	2	297.408	4.958	40	0		CJABLN
Cc1ccc2nc(Nc3nc4ccccc4s3)sc2c1	ZINC000057352454	566979079	/nfs/dbraw/zinc/97/90/79/566979079.db2.gz	PCZGKTBQLCQZLB-UHFFFAOYSA-N	0	2	297.408	4.958	40	0		CJABLN
CC(C)CO[C@@H](CC(C)C)c1ccc(S)cc1	ZINC000072220259	567921945	/nfs/dbraw/zinc/92/19/45/567921945.db2.gz	DSFJFIGRUXLIKS-HNNXBMFYSA-N	0	2	252.423	4.735	40	0		CJABLN
CC(C)CO[C@H](CC(C)C)c1ccc(S)cc1	ZINC000072220260	567921489	/nfs/dbraw/zinc/92/14/89/567921489.db2.gz	DSFJFIGRUXLIKS-OAHLLOKOSA-N	0	2	252.423	4.735	40	0		CJABLN
Oc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1	ZINC000146797973	567945255	/nfs/dbraw/zinc/94/52/55/567945255.db2.gz	DZRFUSGQGDAFAN-UHFFFAOYSA-N	0	2	296.178	4.976	40	0		CJABLN
Oc1c2c(Cl)csc2c(Cl)cc1Cl	ZINC000228954399	570373261	/nfs/dbraw/zinc/37/32/61/570373261.db2.gz	FYBRHSUSJALDCC-UHFFFAOYSA-N	0	2	253.537	4.567	40	0		CJABLN
S=C(Nc1ccccc1)O[C@@H]1CC[C@H]2CCCC[C@H]2C1	ZINC000254735728	567930834	/nfs/dbraw/zinc/93/08/34/567930834.db2.gz	UKHKQZCKYSOHDH-IJEWVQPXSA-N	0	2	289.444	4.759	40	0		CJABLN
S=C(Nc1ccccc1)O[C@@H]1CC[C@@H]2CCCC[C@H]2C1	ZINC000254735729	567930743	/nfs/dbraw/zinc/93/07/43/567930743.db2.gz	UKHKQZCKYSOHDH-OFQRWUPVSA-N	0	2	289.444	4.759	40	0		CJABLN
CCc1ccc(NCc2cc(Cl)c(O)c(Cl)c2)cc1	ZINC000409111087	567934106	/nfs/dbraw/zinc/93/41/06/567934106.db2.gz	ATXDYDFLMATFCM-UHFFFAOYSA-N	0	2	296.197	4.874	40	0		CJABLN
Cc1ccccc1NCc1cc(Cl)c(O)c(Cl)c1	ZINC000409111749	567933995	/nfs/dbraw/zinc/93/39/95/567933995.db2.gz	DUTWIQAVOAOWQC-UHFFFAOYSA-N	0	2	282.170	4.620	40	0		CJABLN
Cc1cccc(NCc2cc(Cl)c(O)c(Cl)c2)c1	ZINC000409113663	327613699	/nfs/dbraw/zinc/61/36/99/327613699.db2.gz	FHKJUTLGSATHFK-UHFFFAOYSA-N	0	2	282.170	4.620	40	0		CJABLN
Cc1ccc(NCc2cc(Cl)c(O)c(Cl)c2)c(C)c1	ZINC000409115493	261140109	/nfs/dbraw/zinc/14/01/09/261140109.db2.gz	RUPGUYVXRAQGSO-UHFFFAOYSA-N	0	2	296.197	4.928	40	0		CJABLN
Cc1cccc(NCc2cc(Cl)c(O)c(Cl)c2)c1C	ZINC000409115666	261139874	/nfs/dbraw/zinc/13/98/74/261139874.db2.gz	KHUPHAZHCDSOAP-UHFFFAOYSA-N	0	2	296.197	4.928	40	0		CJABLN
Cc1ccc(NCc2cc(Cl)c(O)c(Cl)c2)cc1	ZINC000409117360	261138192	/nfs/dbraw/zinc/13/81/92/261138192.db2.gz	XNPZRAZDSYDNHX-UHFFFAOYSA-N	0	2	282.170	4.620	40	0		CJABLN
Cc1ccc(C)c(NCc2cc(Cl)c(O)c(Cl)c2)c1	ZINC000409119413	567934475	/nfs/dbraw/zinc/93/44/75/567934475.db2.gz	SKMKKUAVOFJLEN-UHFFFAOYSA-N	0	2	296.197	4.928	40	0		CJABLN
CCc1ccccc1NCc1cc(Cl)c(O)c(Cl)c1	ZINC000409119990	567934483	/nfs/dbraw/zinc/93/44/83/567934483.db2.gz	RUWCHZSNNFCUEE-UHFFFAOYSA-N	0	2	296.197	4.874	40	0		CJABLN
Cc1ccc(NCc2cc(Cl)c(O)c(Cl)c2)cc1C	ZINC000409120820	567934546	/nfs/dbraw/zinc/93/45/46/567934546.db2.gz	UTSVEWSUMPHEPW-UHFFFAOYSA-N	0	2	296.197	4.928	40	0		CJABLN