smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)C1=C(C)N=c2s/c(=C3/C(=O)Nc4ccccc43)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	ZINC000020609333	195182520	/nfs/dbraw/zinc/18/25/20/195182520.db2.gz	JYBFGSCWHLWGJJ-JBCNATCCSA-N	0	0	488.569	2.187	10	10		JECERN
Cc1ccc2nc(NCC(C)C)c(/C=C3/SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)c(=O)n2c1	ZINC000002253505	526254199	/nfs/dbraw/zinc/25/41/99/526254199.db2.gz	VYVGJTCTSZCQKK-UVYNJXETSA-N	0	0	492.648	2.459	10	10		JECERN
CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=CNCCN1CCN(C(=O)Cc2ccc(F)cc2)CC1	ZINC000022753251	520894998	/nfs/dbraw/zinc/89/49/98/520894998.db2.gz	XOSGGNAIFGQRDG-HAVVHWLPSA-N	0	0	494.527	2.317	10	10		JECERN
COCCN1C(=O)/C(=C\c2c(NC[C@@H]3CCCO3)nc3ccc(C)cn3c2=O)SC1=S	ZINC000033507190	523787002	/nfs/dbraw/zinc/78/70/02/523787002.db2.gz	YNXPOLALZQRISL-KNGSKEOJSA-N	0	0	460.581	2.441	10	10		JECERN
CCOC(=O)C1=C(C)N=c2s/c(=C3/C(=O)Nc4ccccc43)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	ZINC000020609334	195182444	/nfs/dbraw/zinc/18/24/44/195182444.db2.gz	JYBFGSCWHLWGJJ-MRJHHRETSA-N	0	0	488.569	2.187	10	10		JECERN
COCCN1C(=O)/C(=C\c2c(=O)n3cc(C)ccc3nc2N2C[C@@H](C)O[C@H](C)C2)SC1=S	ZINC000039716325	523787181	/nfs/dbraw/zinc/78/71/81/523787181.db2.gz	HFOUKGOEUXHDPB-SDAHTHQCSA-N	0	0	474.608	2.464	10	10		JECERN
Cc1ccc2nc(NCC(C)C)c(/C=C3/SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)c(=O)n2c1	ZINC000034829438	526253871	/nfs/dbraw/zinc/25/38/71/526253871.db2.gz	VYVGJTCTSZCQKK-BRSWLGOBSA-N	0	0	492.648	2.459	10	10		JECERN
CCCOCCn1c2cc(-c3ccc(OC)nc3)ncc2nc(NCCN2CCOCC2)c1=O	ZINC000043025379	520256209	/nfs/dbraw/zinc/25/62/09/520256209.db2.gz	OFRWMWHKNKWEHT-UHFFFAOYSA-N	0	0	468.558	2.033	10	10	in-vitro	JECERN
COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1	ZINC000033372853	523427418	/nfs/dbraw/zinc/42/74/18/523427418.db2.gz	RFKQXAADXHUWCT-YBEGLDIGSA-N	0	0	463.562	2.183	10	10		JECERN
COCCN1C(=O)/C(=C\c2c(NC[C@H]3CCCO3)nc3ccc(C)cn3c2=O)SC1=S	ZINC000033507192	523787748	/nfs/dbraw/zinc/78/77/48/523787748.db2.gz	YNXPOLALZQRISL-DWKHYPNZSA-N	0	0	460.581	2.441	10	10		JECERN
O=C1/C(=C\c2c(=O)n3ccccc3nc2N2CCCCC2)SC(=S)N1[C@H]1CCS(=O)(=O)C1	ZINC000033442249	526944073	/nfs/dbraw/zinc/94/40/73/526944073.db2.gz	FEPUETDKRKKECF-AOHITCTBSA-N	0	0	490.632	2.073	10	10		JECERN
CCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccn2C)C[C@@H]1c1ccc2c(c1)OCO2	ZINC000035963063	569737844	/nfs/dbraw/zinc/73/78/44/569737844.db2.gz	OUMHUQLGXPTWLK-JOCHJYFZSA-N	0	0	495.580	2.002	10	10		JECERN
CCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccn2C)C[C@H]1c1ccc2c(c1)OCO2	ZINC000035963060	569737823	/nfs/dbraw/zinc/73/78/23/569737823.db2.gz	OUMHUQLGXPTWLK-QFIPXVFZSA-N	0	0	495.580	2.002	10	10		JECERN
CCCCN1C(=O)/C(=C\c2c(N3CCC(C(N)=O)CC3)nc3ccccn3c2=O)SC1=S	ZINC000033364107	520556382	/nfs/dbraw/zinc/55/63/82/520556382.db2.gz	FODFVFBGZWPVJG-DTQAZKPQSA-N	0	0	471.608	2.398	10	10		JECERN