smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1CCCN1Cc1ccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000119963744	570313835	/nfs/dbraw/zinc/31/38/35/570313835.db2.gz	RMSJCDHKAJRNKG-UHFFFAOYSA-N	-1	3	389.433	2.196	40	5		GEBBHM
C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1	ZINC000015358925	570927122	/nfs/dbraw/zinc/92/71/22/570927122.db2.gz	HPLUTOYZLYBBMS-NSHDSACASA-N	-1	3	384.435	2.038	40	5		GEBBHM
CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000223672194	206003942	/nfs/dbraw/zinc/00/39/42/206003942.db2.gz	SBAAPJAJUTUGDU-UHFFFAOYSA-N	-1	3	390.826	2.453	40	5		GEBBHM
COc1ccc(S(=O)(=O)[N-]CC(=O)O[C@@H](C)c2ccccc2)c([N+](=O)[O-])c1	ZINC000016576972	570447453	/nfs/dbraw/zinc/44/74/53/570447453.db2.gz	DKXSHLFCACZDJP-LBPRGKRZSA-N	-1	3	394.405	2.186	40	5		GEBBHM
CC(C)(C)OC(=O)N1CCC([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000049983442	205130050	/nfs/dbraw/zinc/13/00/50/205130050.db2.gz	IKBGJVQIHZGXTH-UHFFFAOYSA-N	-1	3	385.442	2.273	40	5		GEBBHM
COc1ccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1OC	ZINC000056105264	205151055	/nfs/dbraw/zinc/15/10/55/205151055.db2.gz	VIGWGXYBBGWSFP-UHFFFAOYSA-N	-1	3	382.394	2.099	40	5		GEBBHM
Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)cc2)cc1[N+](=O)[O-]	ZINC000113941846	136192123	/nfs/dbraw/zinc/19/21/23/136192123.db2.gz	DNXVTEFKSGAZAH-UHFFFAOYSA-N	-1	3	390.465	2.456	40	5		GEBBHM
O=C1CCCN1c1cccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1	ZINC000032444004	207394381	/nfs/dbraw/zinc/39/43/81/207394381.db2.gz	BRVQNURPBITDJQ-UHFFFAOYSA-N	-1	3	375.406	2.200	40	5		GEBBHM
CCCN1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000071980343	570306533	/nfs/dbraw/zinc/30/65/33/570306533.db2.gz	HHJXNUONUOFGFS-INIZCTEOSA-N	-1	3	391.424	2.031	40	5		GEBBHM
COc1cc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc(OC)c1OC	ZINC000013649688	570664760	/nfs/dbraw/zinc/66/47/60/570664760.db2.gz	KZCQXJRHZGOFPU-UHFFFAOYSA-N	-1	3	382.394	2.099	40	5		GEBBHM
COc1ccc(S(=O)(=O)[N-]CC(=O)O[C@H](C)c2ccccc2)c([N+](=O)[O-])c1	ZINC000016576974	211217466	/nfs/dbraw/zinc/21/74/66/211217466.db2.gz	DKXSHLFCACZDJP-GFCCVEGCSA-N	-1	3	394.405	2.186	40	5		GEBBHM
CN1CCN(c2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)CC1	ZINC000113939185	136192202	/nfs/dbraw/zinc/19/22/02/136192202.db2.gz	WGSNUYWVIGOHQA-UHFFFAOYSA-N	-1	3	376.438	2.147	40	5		GEBBHM
O=C(NC(=S)Nc1ncccc1[O-])c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000408629113	570387560	/nfs/dbraw/zinc/38/75/60/570387560.db2.gz	ZMKGFRWWAMIUEK-UHFFFAOYSA-N	-1	3	387.421	2.422	40	5		GEBBHM
C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1	ZINC000015358924	210155728	/nfs/dbraw/zinc/15/57/28/210155728.db2.gz	HPLUTOYZLYBBMS-LLVKDONJSA-N	-1	3	384.435	2.038	40	5		GEBBHM
O=c1[n-]c(=O)c2ccc3c(=O)n(-c4ccc(Cl)cc4)c(=O)c4ccc1c2c43	ZINC000002476571	570798200	/nfs/dbraw/zinc/79/82/00/570798200.db2.gz	CNAPNZGKCAHALV-UHFFFAOYSA-N	-1	3	376.755	2.235	40	5		GEBBHM
CN1CCN(c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1	ZINC000113939252	136192089	/nfs/dbraw/zinc/19/20/89/136192089.db2.gz	NACSRGRYLKEBCY-UHFFFAOYSA-N	-1	3	376.438	2.147	40	5		GEBBHM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N2CCN(C)CC2)cc1	ZINC000113942558	136192204	/nfs/dbraw/zinc/19/22/04/136192204.db2.gz	YBSTUOWNGVRUHL-UHFFFAOYSA-N	-1	3	390.465	2.456	40	5		GEBBHM
O=c1[n-]c(=O)c2cc(Cl)c3c(=O)n(-c4ccccc4)c(=O)c4ccc1c2c43	ZINC000005234911	570250366	/nfs/dbraw/zinc/25/03/66/570250366.db2.gz	ASAQEYFHVDLNAB-UHFFFAOYSA-N	-1	3	376.755	2.235	40	5		GEBBHM
CCCN1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000071980344	222202435	/nfs/dbraw/zinc/20/24/35/222202435.db2.gz	HHJXNUONUOFGFS-MRXNPFEDSA-N	-1	3	391.424	2.031	40	5		GEBBHM
CNC(=O)c1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Cl)ccc1OC	ZINC000013679532	570667762	/nfs/dbraw/zinc/66/77/62/570667762.db2.gz	RCKMUKOHTUBYTQ-UHFFFAOYSA-N	-1	3	399.812	2.417	40	5		GEBBHM
O=c1c([N+](=O)[O-])c(C=Cc2cc(Br)ccc2[O-])[nH]c2ncnn21	ZINC000016384320	221361815	/nfs/dbraw/zinc/36/18/15/221361815.db2.gz	IIEMFVFHSIFNIL-HNQUOIGGSA-N	-1	3	378.142	2.377	40	5		GEBBHM