smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCN(CCCC)CC(=O)c1ccc2cc(Cl)c3ccccc3c2c1	ZINC000001676208	209337385	/nfs/dbraw/zinc/33/73/85/209337385.db2.gz	HVZKFAGXNWGKIN-UHFFFAOYSA-N	0	1	381.947	6.731	40	5		GKBBMN
O=S(=O)(Nc1ccnc2c3ccccc3ccc12)c1ccc2ccccc2c1	ZINC000040384355	212041269	/nfs/dbraw/zinc/04/12/69/212041269.db2.gz	YJFSWTMXIOCSFN-UHFFFAOYSA-N	0	1	384.460	5.342	40	5		GKBBMN
Cc1cc(NS(=O)(=O)c2ccc3ccccc3c2)c2ccc3ccccc3c2n1	ZINC000040384497	212041757	/nfs/dbraw/zinc/04/17/57/212041757.db2.gz	SXJQBXNKVAYYST-UHFFFAOYSA-N	0	1	398.487	5.650	40	5		GKBBMN
CCCN(CCC)CC(=O)c1ccc2cc(Br)c3ccccc3c2c1	ZINC000001729647	206389858	/nfs/dbraw/zinc/38/98/58/206389858.db2.gz	HJLALIBBFBDMMP-UHFFFAOYSA-N	0	1	398.344	6.060	40	5		GKBBMN
O=[N+]([O-])c1ccc(-c2nc(-c3c[nH]c4ccccc34)[nH]c2-c2ccccc2)cc1	ZINC000000826962	570374839	/nfs/dbraw/zinc/37/48/39/570374839.db2.gz	YMWVVNRXRGIEDD-UHFFFAOYSA-N	0	1	380.407	5.800	40	5		GKBBMN
S=c1cc(S)c2c(=S)sc3nc4ccccn4c(=S)c3c2s1	ZINC000006591106	570484382	/nfs/dbraw/zinc/48/43/82/570484382.db2.gz	QUXNUVMSYHHTTE-UHFFFAOYSA-N	0	1	394.618	6.241	40	5		GKBBMN
Cc1ccc([N+](=O)[O-])cc1-c1nc(-c2ccc3c(c2)OCO3)[nH]c1-c1ccccc1	ZINC000000860667	206328746	/nfs/dbraw/zinc/32/87/46/206328746.db2.gz	SMKBYQAHFJPUAE-UHFFFAOYSA-N	0	1	399.406	5.356	40	5		GKBBMN
COc1ccc([N+](=O)[O-])cc1-c1nc(-c2ccc(F)cc2)[nH]c1-c1ccccc1	ZINC000006282490	570360308	/nfs/dbraw/zinc/36/03/08/570360308.db2.gz	MGRAXOUSPSMIJX-UHFFFAOYSA-N	0	1	389.386	5.467	40	5		GKBBMN
O=S(=O)(Nc1ccnc2c3ccccc3ccc12)c1cccc2ccccc21	ZINC000040384325	209092244	/nfs/dbraw/zinc/09/22/44/209092244.db2.gz	XFICNBSIUYFOFT-UHFFFAOYSA-N	0	1	384.460	5.342	40	5		GKBBMN