smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc2nc3ccccc3cc2c1	ZINC000004365739	342990955	/nfs/dbraw/zinc/99/09/55/342990955.db2.gz	HVZWBVZEZZJOKQ-UHFFFAOYSA-N	0	0	193.249	3.696	10	5		AHBERN
Fc1cccc2c1ccc1cccnc12	ZINC000005162111	169088273	/nfs/dbraw/zinc/08/82/73/169088273.db2.gz	PEDVEHKGBRFGCV-UHFFFAOYSA-N	0	0	197.212	3.527	10	5		AHBERN
Fc1cccc2c1ccc1ncccc12	ZINC000005162158	169087855	/nfs/dbraw/zinc/08/78/55/169087855.db2.gz	USRBYDPMNTUSMO-UHFFFAOYSA-N	0	0	197.212	3.527	10	5		AHBERN
Fc1cccc2ccc3ncccc3c12	ZINC000005162178	169088494	/nfs/dbraw/zinc/08/84/94/169088494.db2.gz	SVLCSORBWPAQML-UHFFFAOYSA-N	0	0	197.212	3.527	10	5		AHBERN
Fc1ccc2ccc3cccnc3c2c1	ZINC000005162198	169083929	/nfs/dbraw/zinc/08/39/29/169083929.db2.gz	OOQHWHBPBYDOAU-UHFFFAOYSA-N	0	0	197.212	3.527	10	5		AHBERN
Nc1cccc2c1ccc1ccccc12	ZINC000005935236	169297554	/nfs/dbraw/zinc/29/75/54/169297554.db2.gz	CXZOCEZMGWOOFD-UHFFFAOYSA-N	0	0	193.249	3.575	10	5		AHBERN
Fc1cc2cccnc2c2ccccc12	ZINC000006117701	169082195	/nfs/dbraw/zinc/08/21/95/169082195.db2.gz	CPMBCCFTJUTMRD-UHFFFAOYSA-N	0	0	197.212	3.527	10	5		AHBERN
Fc1cc2ccccc2c2ncccc12	ZINC000006118035	169082182	/nfs/dbraw/zinc/08/21/82/169082182.db2.gz	SDVWBQUXSOQPJE-UHFFFAOYSA-N	0	0	197.212	3.527	10	5		AHBERN
Nc1cccc2ccc3ccccc3c12	ZINC000006118330	169297929	/nfs/dbraw/zinc/29/79/29/169297929.db2.gz	AFPNTTFBCMSLLO-UHFFFAOYSA-N	0	0	193.249	3.575	10	5		AHBERN
Fc1cnc2ccc3ccccc3c2c1	ZINC000006118386	169088765	/nfs/dbraw/zinc/08/87/65/169088765.db2.gz	QLVVFCDIRRCTND-UHFFFAOYSA-N	0	0	197.212	3.527	10	5		AHBERN
Fc1cnc2c(ccc3ccccc32)c1	ZINC000006118628	169089061	/nfs/dbraw/zinc/08/90/61/169089061.db2.gz	DGXWXKVFHBWVQP-UHFFFAOYSA-N	0	0	197.212	3.527	10	5		AHBERN
CCC(/C=C(/CC(C)C)[N+](=O)[O-])CC	ZINC000054929728	571692513	/nfs/dbraw/zinc/69/25/13/571692513.db2.gz	XXSDBNKWLNOOPP-FLIBITNWSA-N	0	0	199.294	3.629	10	5		AHBERN
Cc1cc2ccccc2c2ncccc12	ZINC000078379880	573316395	/nfs/dbraw/zinc/31/63/95/573316395.db2.gz	CDVTXNMBXSNKAI-UHFFFAOYSA-N	0	0	193.249	3.696	10	5		AHBERN
c1c2ccccc2c2cccccc1-2	ZINC000104834102	169481667	/nfs/dbraw/zinc/48/16/67/169481667.db2.gz	BMZTYILRNHCUBV-UHFFFAOYSA-N	0	0	178.234	3.945	10	5		AHBERN
Fc1cccc2nc3ccccc3cc12	ZINC000116499226	343769787	/nfs/dbraw/zinc/76/97/87/343769787.db2.gz	FVNKQMCPAAGEOO-UHFFFAOYSA-N	0	0	197.212	3.527	10	5		AHBERN
Cc1cnc2c(ccc3ccccc32)c1	ZINC000143643720	344021028	/nfs/dbraw/zinc/02/10/28/344021028.db2.gz	LGKQWGIPMCZVEU-UHFFFAOYSA-N	0	0	193.249	3.696	10	5		AHBERN
Cc1cccc2c3ccccc3cnc12	ZINC000196766538	344358778	/nfs/dbraw/zinc/35/87/78/344358778.db2.gz	NNEKGIHCUCBTHT-UHFFFAOYSA-N	0	0	193.249	3.696	10	5		AHBERN
Fc1cccc2c3ccccc3cnc12	ZINC000199521837	344361143	/nfs/dbraw/zinc/36/11/43/344361143.db2.gz	FYDXYEATRMTGRG-UHFFFAOYSA-N	0	0	197.212	3.527	10	5		AHBERN
Fc1ccc2c(cnc3ccccc32)c1	ZINC000205103647	344370732	/nfs/dbraw/zinc/37/07/32/344370732.db2.gz	KTVFWLLRBXJBEP-UHFFFAOYSA-N	0	0	197.212	3.527	10	5		AHBERN
c1cc2cc3cccccc3cc2c1	ZINC000205360795	571833356	/nfs/dbraw/zinc/83/33/56/571833356.db2.gz	ANKFFAQPLQMBKL-UHFFFAOYSA-N	0	0	178.234	3.993	10	5		AHBERN
c1cc2ccc3cccccc3c2c1	ZINC000205372824	571837906	/nfs/dbraw/zinc/83/79/06/571837906.db2.gz	YQKYYGVZDHNULH-UHFFFAOYSA-N	0	0	178.234	3.993	10	5		AHBERN