smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c(CN(C)C)cc(C(C)C)cc1C(C)C	ZINC000001664080	342707528	/nfs/dbraw/zinc/70/75/28/342707528.db2.gz	YTMGQXBXBHSSDJ-UHFFFAOYSA-N	0	3	233.399	4.303	40	0		BIABHN
CN1CCCC(c2ccccc2)=C1c1ccccc1	ZINC000001667031	383917880	/nfs/dbraw/zinc/91/78/80/383917880.db2.gz	DTDLEZNRCYAQOB-UHFFFAOYSA-N	0	3	249.357	4.281	40	0		BIABHN
CC(C)(C)c1ccc([C@@H](N)c2cccs2)cc1	ZINC000019841947	384544645	/nfs/dbraw/zinc/54/46/45/384544645.db2.gz	ADERWJMDIQNWIG-CQSZACIVSA-N	0	3	245.391	4.094	40	0		BIABHN
CC(C)(C)c1ccc([C@H](N)c2cccs2)cc1	ZINC000019841950	188281595	/nfs/dbraw/zinc/28/15/95/188281595.db2.gz	ADERWJMDIQNWIG-AWEZNQCLSA-N	0	3	245.391	4.094	40	0		BIABHN
CCNCc1ccc(-c2cc(Cl)ccc2C)o1	ZINC000020158640	170126561	/nfs/dbraw/zinc/12/65/61/170126561.db2.gz	AEEDSLJHIKZYJM-UHFFFAOYSA-N	0	3	249.741	4.018	40	0		BIABHN
CCC1=C(C)/C(=C/c2[nH]c(C)cc2C)N=C1C	ZINC000031938520	387507885	/nfs/dbraw/zinc/50/78/85/387507885.db2.gz	JWZJUSFXXZXYIU-NVNXTCNLSA-N	0	3	228.339	4.173	40	0		BIABHN
CCC1=C(C)/C(=C\c2[nH]c(C)cc2C)N=C1C	ZINC000031938523	187256858	/nfs/dbraw/zinc/25/68/58/187256858.db2.gz	JWZJUSFXXZXYIU-OVCLIPMQSA-N	0	3	228.339	4.173	40	0		BIABHN
c1cc([C@H]2CCCN2Cc2ccccc2)cs1	ZINC000046088116	183399330	/nfs/dbraw/zinc/39/93/30/183399330.db2.gz	ZBSPDJYGNYFPGE-OAHLLOKOSA-N	0	3	243.375	4.085	40	0		BIABHN
c1cc([C@@H]2CCCN2Cc2ccccc2)cs1	ZINC000046088118	183398142	/nfs/dbraw/zinc/39/81/42/183398142.db2.gz	ZBSPDJYGNYFPGE-HNNXBMFYSA-N	0	3	243.375	4.085	40	0		BIABHN
CCN[C@@H](CC)c1cccc(Cl)c1Cl	ZINC000055224085	170143904	/nfs/dbraw/zinc/14/39/04/170143904.db2.gz	UOCISACWJPFRPS-JTQLQIEISA-N	0	3	232.154	4.054	40	0		BIABHN
CCN[C@H](CC)c1cccc(Cl)c1Cl	ZINC000055224087	170161747	/nfs/dbraw/zinc/16/17/47/170161747.db2.gz	UOCISACWJPFRPS-SNVBAGLBSA-N	0	3	232.154	4.054	40	0		BIABHN
CCCN[C@@H](CC)c1cccc(Cl)c1Cl	ZINC000055224107	169278128	/nfs/dbraw/zinc/27/81/28/169278128.db2.gz	OLJGPGLNCCOAJP-NSHDSACASA-N	0	3	246.181	4.444	40	0		BIABHN
CCCN[C@H](CC)c1cccc(Cl)c1Cl	ZINC000055224109	169289086	/nfs/dbraw/zinc/28/90/86/169289086.db2.gz	OLJGPGLNCCOAJP-LLVKDONJSA-N	0	3	246.181	4.444	40	0		BIABHN
c1coc([C@H]2CCCCN2Cc2ccccc2)c1	ZINC000072221567	344514898	/nfs/dbraw/zinc/51/48/98/344514898.db2.gz	IOYNNNOSETYQLH-OAHLLOKOSA-N	0	3	241.334	4.007	40	0		BIABHN
c1coc([C@@H]2CCCCN2Cc2ccccc2)c1	ZINC000072221568	344514820	/nfs/dbraw/zinc/51/48/20/344514820.db2.gz	IOYNNNOSETYQLH-HNNXBMFYSA-N	0	3	241.334	4.007	40	0		BIABHN
c1cc([C@H]2CCCCN2Cc2ccccc2)co1	ZINC000072221622	259320231	/nfs/dbraw/zinc/32/02/31/259320231.db2.gz	VTLBGUCBZSHKNY-MRXNPFEDSA-N	0	3	241.334	4.007	40	0		BIABHN
c1cc([C@@H]2CCCCN2Cc2ccccc2)co1	ZINC000072221623	259320392	/nfs/dbraw/zinc/32/03/92/259320392.db2.gz	VTLBGUCBZSHKNY-INIZCTEOSA-N	0	3	241.334	4.007	40	0		BIABHN
CC(C)(C)P(C1=CCC=C1)C(C)(C)C	ZINC000100167756	387265390	/nfs/dbraw/zinc/26/53/90/387265390.db2.gz	KCSFXHZGIGZLRW-UHFFFAOYSA-N	0	3	209.293	4.110	40	0		BIABHN