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=C/C1=C2C[C@@H](C)CN=C2CC1	ZINC000014684250	572016164	/nfs/dbraw/zinc/01/61/64/572016164.db2.gz	NSNMNJUDJJAUJI-ORAHPGNNSA-N	0	3	189.302	3.524	10	0		AHAEHN
CC/C=C/C1=C2C[C@H](C)CN=C2CC1	ZINC000014684251	171167901	/nfs/dbraw/zinc/16/79/01/171167901.db2.gz	NSNMNJUDJJAUJI-YEZKRMTDSA-N	0	3	189.302	3.524	10	0		AHAEHN
CCCC[C@@H](C)N[C@@H](C)c1ccco1	ZINC000037260298	572109198	/nfs/dbraw/zinc/10/91/98/572109198.db2.gz	WRJSCUOCANGLBT-MNOVXSKESA-N	0	3	195.306	3.509	10	0		AHAEHN
CCCC[C@H](C)N[C@@H](C)c1ccco1	ZINC000037260300	572107275	/nfs/dbraw/zinc/10/72/75/572107275.db2.gz	WRJSCUOCANGLBT-QWRGUYRKSA-N	0	3	195.306	3.509	10	0		AHAEHN
CCCC[C@@H](C)N[C@H](C)c1ccco1	ZINC000037260302	572110089	/nfs/dbraw/zinc/11/00/89/572110089.db2.gz	WRJSCUOCANGLBT-GHMZBOCLSA-N	0	3	195.306	3.509	10	0		AHAEHN
CCCC[C@H](C)N[C@H](C)c1ccco1	ZINC000037260304	572108773	/nfs/dbraw/zinc/10/87/73/572108773.db2.gz	WRJSCUOCANGLBT-WDEREUQCSA-N	0	3	195.306	3.509	10	0		AHAEHN
CCCCC[C@H](NCC)c1ccco1	ZINC000043608039	573859929	/nfs/dbraw/zinc/85/99/29/573859929.db2.gz	NHQITCIJXNTWBJ-NSHDSACASA-N	0	3	195.306	3.511	10	0		AHAEHN
CCCCC[C@@H](NCC)c1ccco1	ZINC000043608042	573859596	/nfs/dbraw/zinc/85/95/96/573859596.db2.gz	NHQITCIJXNTWBJ-LLVKDONJSA-N	0	3	195.306	3.511	10	0		AHAEHN
CCCC[C@H](NCCC)c1ccco1	ZINC000043608593	573847167	/nfs/dbraw/zinc/84/71/67/573847167.db2.gz	ARRQLCOCWBESQZ-NSHDSACASA-N	0	3	195.306	3.511	10	0		AHAEHN
CCCC[C@@H](NCCC)c1ccco1	ZINC000043608596	166920942	/nfs/dbraw/zinc/92/09/42/166920942.db2.gz	ARRQLCOCWBESQZ-LLVKDONJSA-N	0	3	195.306	3.511	10	0		AHAEHN
CCCC(=N)Nc1ccccc1Cl	ZINC000062989130	343392053	/nfs/dbraw/zinc/39/20/53/343392053.db2.gz	PIPZLSIKJOQFTQ-UHFFFAOYSA-N	0	3	196.681	3.529	10	0		AHAEHN
CCCCCC[C@H](NC)c1ccoc1	ZINC000070414346	572232214	/nfs/dbraw/zinc/23/22/14/572232214.db2.gz	GGBXHIPMBMBHCJ-LBPRGKRZSA-N	0	3	195.306	3.511	10	0		AHAEHN
CCCCCC[C@@H](NC)c1ccoc1	ZINC000070414347	572230750	/nfs/dbraw/zinc/23/07/50/572230750.db2.gz	GGBXHIPMBMBHCJ-GFCCVEGCSA-N	0	3	195.306	3.511	10	0		AHAEHN
CCCCC[C@H](NCC)c1ccoc1	ZINC000070414440	572230379	/nfs/dbraw/zinc/23/03/79/572230379.db2.gz	NKPNAIJXOQJCRS-LBPRGKRZSA-N	0	3	195.306	3.511	10	0		AHAEHN
CCCCC[C@@H](NCC)c1ccoc1	ZINC000070414441	572231005	/nfs/dbraw/zinc/23/10/05/572231005.db2.gz	NKPNAIJXOQJCRS-GFCCVEGCSA-N	0	3	195.306	3.511	10	0		AHAEHN
CC(C)c1cc([C@@H](C)N)c(C(C)C)o1	ZINC000077078473	572711078	/nfs/dbraw/zinc/71/10/78/572711078.db2.gz	FBABIMMPMHGNNJ-SECBINFHSA-N	0	3	195.306	3.546	10	0		AHAEHN
CC(C)c1cc([C@H](C)N)c(C(C)C)o1	ZINC000077078474	572712330	/nfs/dbraw/zinc/71/23/30/572712330.db2.gz	FBABIMMPMHGNNJ-VIFPVBQESA-N	0	3	195.306	3.546	10	0		AHAEHN
CCCC[C@H](NC(C)C)c1ccco1	ZINC000086322447	572917830	/nfs/dbraw/zinc/91/78/30/572917830.db2.gz	CHHOXEVIALSVID-NSHDSACASA-N	0	3	195.306	3.509	10	0		AHAEHN
CCCC[C@@H](NC(C)C)c1ccco1	ZINC000086322448	572917857	/nfs/dbraw/zinc/91/78/57/572917857.db2.gz	CHHOXEVIALSVID-LLVKDONJSA-N	0	3	195.306	3.509	10	0		AHAEHN
CC1=Nc2ccccc2NC2=C1CCC2	ZINC000238503804	572752631	/nfs/dbraw/zinc/75/26/31/572752631.db2.gz	QAMYZIYWQVVKKY-UHFFFAOYSA-N	0	3	198.269	3.643	10	0		AHAEHN
C[C@@H]1CC[C@@H](C)P1C1=CC=CC1	ZINC000504807911	229140688	/nfs/dbraw/zinc/14/06/88/229140688.db2.gz	DQAMBIOSUGGTKE-NXEZZACHSA-N	0	3	180.231	3.883	10	0		AHAEHN
CC(C)(C)P=N[Si](C)(C)C	ZINC000584646001	346740995	/nfs/dbraw/zinc/74/09/95/346740995.db2.gz	IPRJXBVAVOLWDT-UHFFFAOYSA-N	0	3	175.288	3.750	10	0		AHAEHN