smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C(SCC)/C(=[NH+]/C)SC	5718953	166140008	/nfs/dbraw/zinc/14/00/08/166140008.db2.gz	AUCOWFNFYDNBIY-FPLPWBNLSA-N	1	2	175.322	2.645	40	30		AFEBLO
CC(C)(C)/[NH+]=C/C#C[Si](C)(C)C	195798111	166342835	/nfs/dbraw/zinc/34/28/35/166342835.db2.gz	WIDIIOWBVYHKRT-DHZHZOJOSA-N	1	2	181.355	2.737	40	30		AFEBLO
Oc1ccc([S+]2CCCCC2)cc1	5005673	169457822	/nfs/dbraw/zinc/45/78/22/169457822.db2.gz	JBTBXXTYLSJCHQ-UHFFFAOYSA-O	1	2	195.307	2.553	40	30		AFEBLO
CCC/N=C(C)\C(C)=[NH+]/CCC	17162070	171031503	/nfs/dbraw/zinc/03/15/03/171031503.db2.gz	NUNHRUFFBWSJKW-HWAYABPNSA-N	1	2	168.284	2.728	40	30		AFEBLO
CCC/N=C(C)/C(C)=[NH+]\CCC	104260550	204020536	/nfs/dbraw/zinc/02/05/36/204020536.db2.gz	NUNHRUFFBWSJKW-DSOJMZEYSA-N	1	2	168.284	2.728	40	30		AFEBLO
CCC/N=C(C)\C(C)=[NH+]\CCC	104260550	204020541	/nfs/dbraw/zinc/02/05/41/204020541.db2.gz	NUNHRUFFBWSJKW-DSOJMZEYSA-N	1	2	168.284	2.728	40	30		AFEBLO
CCC/N=C(C)/C(C)=[NH+]/CCC	104260556	204020562	/nfs/dbraw/zinc/02/05/62/204020562.db2.gz	NUNHRUFFBWSJKW-WGDLNXRISA-N	1	2	168.284	2.728	40	30		AFEBLO
CCc1[nH+]c2ccccc2n1CCC#N	6606270	343015577	/nfs/dbraw/zinc/01/55/77/343015577.db2.gz	RIFUSSGZHZAXKK-UHFFFAOYSA-N	1	2	199.257	2.512	40	30		AFEBLO
CCC/[NH+]=C(\C)c1ccccc1O	104169965	343729621	/nfs/dbraw/zinc/72/96/21/343729621.db2.gz	YVFXJXHNKBAXQW-FMIVXFBMSA-N	1	2	177.247	2.611	40	30		AFEBLO
CC(C)C/[NH+]=C/c1cccs1	38616095	351483533	/nfs/dbraw/zinc/48/35/33/351483533.db2.gz	ZIASKGNEMKVMNA-JXMROGBWSA-N	1	2	167.277	2.823	40	30		AFEBLO