smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)=CC(=O)N1C[C@H]2CCC[C@@H](C1)N2	ZINC000160566235	361319336	/nfs/dbraw/zinc/31/93/36/361319336.db2.gz	KSGJTZJHOSGCCY-PHIMTYICSA-N	0	1	208.305	1.306	10	70		BDIEMN
CCC[C@@H](C(=O)Nc1cccnc1)N(C)C	ZINC000161160749	169345910	/nfs/dbraw/zinc/34/59/10/169345910.db2.gz	TYWSGKOMZGQJQZ-NSHDSACASA-N	0	1	221.304	1.750	10	70		BDIEMN
c1cn(CCN2CCO[C@H]3CCCC[C@@H]32)cn1	ZINC000159758666	398342360	/nfs/dbraw/zinc/34/23/60/398342360.db2.gz	VZJIRAXQBIIDAD-STQMWFEESA-N	0	1	235.331	1.527	10	70		BDIEMN
COC(=O)CCN1CCO[C@H]2CCCC[C@H]21	ZINC000217345740	388570341	/nfs/dbraw/zinc/57/03/41/388570341.db2.gz	UCIIUEDTTDKXDL-MNOVXSKESA-N	0	1	227.304	1.193	10	70		BDIEMN
O=C(Cc1cncs1)c1ncccn1	ZINC000159689017	350973664	/nfs/dbraw/zinc/97/36/64/350973664.db2.gz	NFEUTAZZEMYXLF-UHFFFAOYSA-N	0	1	205.242	1.359	10	70		BDIEMN
CCC[C@@H](C(=O)Nc1ccncc1)N(C)C	ZINC000161296674	169346646	/nfs/dbraw/zinc/34/66/46/169346646.db2.gz	WFHIRVVMYSFSSJ-NSHDSACASA-N	0	1	221.304	1.750	10	70		BDIEMN
CC[C@](C)(O)CN[C@@H](C)c1ncc(C)o1	ZINC000218062108	535858791	/nfs/dbraw/zinc/85/87/91/535858791.db2.gz	PEYODGYVLXDSHY-ONGXEEELSA-N	0	1	212.293	1.795	10	70		BDIEMN
COc1cc(N2CCN(C)CC2)ccc1NC=O	ZINC000217642631	371991284	/nfs/dbraw/zinc/99/12/84/371991284.db2.gz	ZYAWHKRNEDKXNT-UHFFFAOYSA-N	0	1	249.314	1.015	10	70		BDIEMN
CCC[C@H](C(=O)Nc1ccncc1)N(C)C	ZINC000161296785	384480598	/nfs/dbraw/zinc/48/05/98/384480598.db2.gz	WFHIRVVMYSFSSJ-LLVKDONJSA-N	0	1	221.304	1.750	10	70		BDIEMN
CCC[C@H](C(=O)Nc1cccnc1)N(C)C	ZINC000161160860	384470196	/nfs/dbraw/zinc/47/01/96/384470196.db2.gz	TYWSGKOMZGQJQZ-LLVKDONJSA-N	0	1	221.304	1.750	10	70		BDIEMN
Cc1nc2c([nH]1)CC[C@H](C(=O)N1CCCCC1)C2	ZINC000161128133	538914589	/nfs/dbraw/zinc/91/45/89/538914589.db2.gz	CGQZUQHGAZDKON-NSHDSACASA-N	0	1	247.342	1.836	10	70		BDIEMN
CC[C@](C)(O)CN[C@H](C)c1ncc(C)o1	ZINC000218062271	134251331	/nfs/dbraw/zinc/25/13/31/134251331.db2.gz	PEYODGYVLXDSHY-KOLCDFICSA-N	0	1	212.293	1.795	10	70		BDIEMN
CCC[C@H](C(=O)Nc1nccs1)N(C)C	ZINC000161321157	384478525	/nfs/dbraw/zinc/47/85/25/384478525.db2.gz	BPABMRQEDZIWEP-MRVPVSSYSA-N	0	1	227.333	1.812	10	70		BDIEMN
c1ccc(N2CCN([C@@H]3CCOC3)CC2)cc1	ZINC000217541356	345744509	/nfs/dbraw/zinc/74/45/09/345744509.db2.gz	XBCUILCEDBJHDI-CQSZACIVSA-N	0	1	232.327	1.598	10	70		BDIEMN
CC[C@@](C)(O)CN[C@@H](C)c1ncc(C)o1	ZINC000218062024	134251533	/nfs/dbraw/zinc/25/15/33/134251533.db2.gz	PEYODGYVLXDSHY-GXSJLCMTSA-N	0	1	212.293	1.795	10	70		BDIEMN
COC[C@@H](N)C(=O)N1CCC[C@@H]2CCCC[C@@H]21	ZINC000159635078	488071737	/nfs/dbraw/zinc/07/17/37/488071737.db2.gz	WFNKKSNTPUWFSH-TUAOUCFPSA-N	0	1	240.347	1.141	10	70		BDIEMN
CN(C)c1ccc(-c2n[nH]c(=O)o2)cc1	ZINC000216706291	350011704	/nfs/dbraw/zinc/01/17/04/350011704.db2.gz	JJOLJDYGHGSUMI-UHFFFAOYSA-N	0	1	205.217	1.096	10	70		BDIEMN
CCC[C@@H](C(=O)Nc1nccs1)N(C)C	ZINC000161321012	169346422	/nfs/dbraw/zinc/34/64/22/169346422.db2.gz	BPABMRQEDZIWEP-QMMMGPOBSA-N	0	1	227.333	1.812	10	70		BDIEMN
COC(=O)c1cccc2nc(N(C)C)[nH]c21	ZINC000218697351	345854042	/nfs/dbraw/zinc/85/40/42/345854042.db2.gz	CTBKUBIJHHIFJY-UHFFFAOYSA-N	0	1	219.244	1.416	10	70		BDIEMN
CCC(=O)c1cc(C(=O)OC)c(O)cc1F	ZINC000217799909	343766301	/nfs/dbraw/zinc/76/63/01/343766301.db2.gz	ACZCFVCJCUQHPM-UHFFFAOYSA-N	0	1	226.203	1.911	10	70		BDIEMN
COC(=O)CCN1CCO[C@@H]2CCCC[C@H]21	ZINC000217345659	384184208	/nfs/dbraw/zinc/18/42/08/384184208.db2.gz	UCIIUEDTTDKXDL-GHMZBOCLSA-N	0	1	227.304	1.193	10	70		BDIEMN
CCC[C@@H](C(=O)Nc1ccn(C)n1)N(C)C	ZINC000161330741	169346499	/nfs/dbraw/zinc/34/64/99/169346499.db2.gz	XIXYOYUOFKJWMS-VIFPVBQESA-N	0	1	224.308	1.089	10	70		BDIEMN
CC[C@@](C)(O)CN[C@H](C)c1ncc(C)o1	ZINC000218062183	134251486	/nfs/dbraw/zinc/25/14/86/134251486.db2.gz	PEYODGYVLXDSHY-MWLCHTKSSA-N	0	1	212.293	1.795	10	70		BDIEMN
Cc1nc2c([nH]1)CC[C@@H](C(=O)N1CCCCC1)C2	ZINC000161128001	538914199	/nfs/dbraw/zinc/91/41/99/538914199.db2.gz	CGQZUQHGAZDKON-LLVKDONJSA-N	0	1	247.342	1.836	10	70		BDIEMN
c1cn(CCN2CCO[C@@H]3CCCC[C@@H]32)cn1	ZINC000159758801	398342420	/nfs/dbraw/zinc/34/24/20/398342420.db2.gz	VZJIRAXQBIIDAD-QWHCGFSZSA-N	0	1	235.331	1.527	10	70		BDIEMN
CCC[C@H](C(=O)Nc1ccn(C)n1)N(C)C	ZINC000161330831	384483071	/nfs/dbraw/zinc/48/30/71/384483071.db2.gz	XIXYOYUOFKJWMS-SECBINFHSA-N	0	1	224.308	1.089	10	70		BDIEMN