smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1coc2c1c(C)cc(C)c2C	ZINC000160623724	344171978	/nfs/dbraw/zinc/17/19/78/344171978.db2.gz	JXBOGQGKPNQHCZ-UHFFFAOYSA-N	0	0	174.243	3.666	10	70		AHIERN
CC(C)[C@H]1CC[C@@H](C)C[C@H]1[SiH](C)C	ZINC000199994641	344362350	/nfs/dbraw/zinc/36/23/50/344362350.db2.gz	AFIJTAAKGYQYDN-IJLUTSLNSA-N	0	0	198.426	3.936	10	70		AHIERN
C=CCCCCCC[SiH](C)C	ZINC000201168260	344364324	/nfs/dbraw/zinc/36/43/24/344364324.db2.gz	UKLILSBJGWHJEB-UHFFFAOYSA-N	0	0	170.372	3.610	10	70		AHIERN
CCCC[SiH](CC)CCCC	ZINC000207509683	344376077	/nfs/dbraw/zinc/37/60/77/344376077.db2.gz	PRSVGMOCAKOHIK-UHFFFAOYSA-N	0	0	172.388	3.834	10	70		AHIERN
C/C=C\Cn1c(C)cc2ccccc21	ZINC000216874674	573620430	/nfs/dbraw/zinc/62/04/30/573620430.db2.gz	BJXFVYNJTWRIHF-ARJAWSKDSA-N	0	0	185.270	3.526	10	70		AHIERN
CC(C)=CCC[C@H](C)C/C=C\[C@@H](C)O	ZINC000217037548	573576290	/nfs/dbraw/zinc/57/62/90/573576290.db2.gz	WCOHBQLHOLKCPM-VUYFNKJKSA-N	0	0	196.334	3.696	10	70		AHIERN
CCCCC/C(C)=C\CC[C@@H](C)O	ZINC000217838483	573104324	/nfs/dbraw/zinc/10/43/24/573104324.db2.gz	KCYJCJZOASJPBB-UCQJPZFISA-N	0	0	184.323	3.674	10	70		AHIERN
C[C@@H](CC(C)(C)C)c1sccc1N	ZINC000218198339	344410706	/nfs/dbraw/zinc/41/07/06/344410706.db2.gz	IXMFJOZBDOGHHB-QMMMGPOBSA-N	0	0	197.347	3.870	10	70		AHIERN
C[C@H](CC(C)(C)C)c1sccc1N	ZINC000218198431	344410625	/nfs/dbraw/zinc/41/06/25/344410625.db2.gz	IXMFJOZBDOGHHB-MRVPVSSYSA-N	0	0	197.347	3.870	10	70		AHIERN
CC(C)CC[C@@H](C)c1sccc1N	ZINC000218198659	344410721	/nfs/dbraw/zinc/41/07/21/344410721.db2.gz	ZRQLAQCTQKZVSP-SECBINFHSA-N	0	0	197.347	3.870	10	70		AHIERN
CC(C)CC[C@H](C)c1sccc1N	ZINC000218198730	344410581	/nfs/dbraw/zinc/41/05/81/344410581.db2.gz	ZRQLAQCTQKZVSP-VIFPVBQESA-N	0	0	197.347	3.870	10	70		AHIERN
CCCC[C@@H](C)c1sccc1N	ZINC000218199154	344410695	/nfs/dbraw/zinc/41/06/95/344410695.db2.gz	XXVBPJUCBGAGNH-MRVPVSSYSA-N	0	0	183.320	3.624	10	70		AHIERN
CCCC[C@H](C)c1sccc1N	ZINC000218199228	344410588	/nfs/dbraw/zinc/41/05/88/344410588.db2.gz	XXVBPJUCBGAGNH-QMMMGPOBSA-N	0	0	183.320	3.624	10	70		AHIERN
Cc1nc2sccc2c2ccccc12	ZINC000218303938	344411492	/nfs/dbraw/zinc/41/14/92/344411492.db2.gz	LUZGGHVLWDJJKH-UHFFFAOYSA-N	0	0	199.278	3.758	10	70		AHIERN
CCC(C)(C)C[C@H](O)C(C)(C)CC	ZINC000218482437	573113402	/nfs/dbraw/zinc/11/34/02/573113402.db2.gz	PDSOZRSPHJOAGR-JTQLQIEISA-N	0	0	186.339	3.610	10	70		AHIERN
CCC(C)(C)C[C@@H](O)C(C)(C)CC	ZINC000218482520	573114273	/nfs/dbraw/zinc/11/42/73/573114273.db2.gz	PDSOZRSPHJOAGR-SNVBAGLBSA-N	0	0	186.339	3.610	10	70		AHIERN
CCCCCC[SiH](CC)CC	ZINC000584602663	346721536	/nfs/dbraw/zinc/72/15/36/346721536.db2.gz	RIKJTBZCRSNOCF-UHFFFAOYSA-N	0	0	172.388	3.834	10	70		AHIERN