smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc2ccccc2[nH+]c1NCc1cccc([N+](=O)[O-])c1	ZINC000301142291	261329798	/nfs/dbraw/zinc/32/97/98/261329798.db2.gz	CMKDAKOCXOSKPB-UHFFFAOYSA-N	1	2	293.326	4.064	20	5		CIBDLO
Cc1ccc(CSCc2ccc([N+](=O)[O-])cc2)c(C)[nH+]1	ZINC000184860489	329263474	/nfs/dbraw/zinc/26/34/74/329263474.db2.gz	ICTHIFPHTKWEBK-UHFFFAOYSA-N	1	2	288.372	4.040	20	5		CIBDLO
Cc1ccc([C@@H](C)Nc2ccc3c(c2)CC[NH2+]3)cc1[N+](=O)[O-]	ZINC000423212641	330178116	/nfs/dbraw/zinc/17/81/16/330178116.db2.gz	ITOVSQXDZBMDTC-GFCCVEGCSA-N	1	2	297.358	4.044	20	5		CIBDLO
Cc1cc(OCc2ccc([N+](=O)[O-])cc2)c2ccccc2[nH+]1	ZINC000486198169	331933417	/nfs/dbraw/zinc/93/34/17/331933417.db2.gz	YAWYOWWBNOVYAI-UHFFFAOYSA-N	1	2	294.310	4.030	20	5		CIBDLO
Cc1ccc([C@H](C)Nc2ccc3c(c2)CC[NH2+]3)cc1[N+](=O)[O-]	ZINC000423212642	330177933	/nfs/dbraw/zinc/17/79/33/330177933.db2.gz	ITOVSQXDZBMDTC-LBPRGKRZSA-N	1	2	297.358	4.044	20	5		CIBDLO
Cc1cc(OCc2ccccc2[N+](=O)[O-])c2ccccc2[nH+]1	ZINC000486228143	331933763	/nfs/dbraw/zinc/93/37/63/331933763.db2.gz	QAJXEQSAFSNFNW-UHFFFAOYSA-N	1	2	294.310	4.030	20	5		CIBDLO
Cc1[nH]c2ccc(CSc3cccc([N+](=O)[O-])c3)cc2[nH+]1	ZINC000337914303	527140417	/nfs/dbraw/zinc/14/04/17/527140417.db2.gz	MSVVRUUQNPUNFO-UHFFFAOYSA-N	1	2	299.355	4.072	20	5		CIBDLO
Cc1[nH]c2cc(CSc3cccc([N+](=O)[O-])c3)ccc2[nH+]1	ZINC000337914303	527140422	/nfs/dbraw/zinc/14/04/22/527140422.db2.gz	MSVVRUUQNPUNFO-UHFFFAOYSA-N	1	2	299.355	4.072	20	5		CIBDLO
Cc1c([C@@H](C)Nc2ccc3c(c2)CC[NH2+]3)cccc1[N+](=O)[O-]	ZINC000423221123	330179516	/nfs/dbraw/zinc/17/95/16/330179516.db2.gz	WGZLGRKGXIEWAV-GFCCVEGCSA-N	1	2	297.358	4.044	20	5		CIBDLO
CCC[C@H](Nc1ccc(C)[nH+]c1)c1cccc([N+](=O)[O-])c1	ZINC000164550070	331251899	/nfs/dbraw/zinc/25/18/99/331251899.db2.gz	GOQKKGPRLFVSRR-INIZCTEOSA-N	1	2	285.347	4.252	20	5		CIBDLO
Cc1cc(OCc2cccc([N+](=O)[O-])c2)c2ccccc2[nH+]1	ZINC000486207863	331933506	/nfs/dbraw/zinc/93/35/06/331933506.db2.gz	YRDIVWJBCIRLMK-UHFFFAOYSA-N	1	2	294.310	4.030	20	5		CIBDLO
Cc1ccc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)o1	ZINC000036960108	525928699	/nfs/dbraw/zinc/92/86/99/525928699.db2.gz	IYNFOSYEAIYPOS-JTQLQIEISA-N	1	2	294.738	4.000	20	5		CIBDLO
C[C@H](Sc1[nH+]cc2ccccn21)c1ccccc1[N+](=O)[O-]	ZINC000463045467	331338520	/nfs/dbraw/zinc/33/85/20/331338520.db2.gz	SEXRCZIJYKZGNN-NSHDSACASA-N	1	2	299.355	4.096	20	5		CIBDLO
C[C@@H](Sc1[nH+]cc2ccccn21)c1ccccc1[N+](=O)[O-]	ZINC000463045466	331338543	/nfs/dbraw/zinc/33/85/43/331338543.db2.gz	SEXRCZIJYKZGNN-LLVKDONJSA-N	1	2	299.355	4.096	20	5		CIBDLO
Cc1[nH+]c(C(C)C)ccc1COc1ccc([N+](=O)[O-])cc1	ZINC000549012971	334182419	/nfs/dbraw/zinc/18/24/19/334182419.db2.gz	PPRPNMFOXMQXBK-UHFFFAOYSA-N	1	2	286.331	4.001	20	5		CIBDLO
CC[C@H](Nc1ccc2c(c1)CC[NH2+]2)c1cccc([N+](=O)[O-])c1	ZINC000423212681	330177919	/nfs/dbraw/zinc/17/79/19/330177919.db2.gz	JASBGDAEKRFNCL-INIZCTEOSA-N	1	2	297.358	4.126	20	5		CIBDLO
Cc1[nH+]c(C(C)C)ccc1CNc1cccc([N+](=O)[O-])c1	ZINC000453062959	331085655	/nfs/dbraw/zinc/08/56/55/331085655.db2.gz	RJDFGOPJFCORQK-UHFFFAOYSA-N	1	2	285.347	4.034	20	5		CIBDLO
COc1ccc2c3[nH+]c4ccccc4c(C)c3oc2c1OC	ZINC000468953416	331443099	/nfs/dbraw/zinc/44/30/99/331443099.db2.gz	MWJHWOCEOLCTNR-UHFFFAOYSA-N	1	2	293.322	4.460	20	5		CIBDLO
Cc1c(CNc2ccc3ccccc3[nH+]2)cccc1[N+](=O)[O-]	ZINC000302657987	327721438	/nfs/dbraw/zinc/72/14/38/327721438.db2.gz	HUMMOHVWKMLAJR-UHFFFAOYSA-N	1	2	293.326	4.064	20	5		CIBDLO
Cc1ccc(N[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c[nH+]1	ZINC000433229891	330620632	/nfs/dbraw/zinc/62/06/32/330620632.db2.gz	SSHXZFJAOCDNEJ-MRXNPFEDSA-N	1	2	297.358	4.133	20	5		CIBDLO
CCC[C@@H](Nc1ccc(C)[nH+]c1)c1cccc([N+](=O)[O-])c1	ZINC000164550196	331251896	/nfs/dbraw/zinc/25/18/96/331251896.db2.gz	GOQKKGPRLFVSRR-MRXNPFEDSA-N	1	2	285.347	4.252	20	5		CIBDLO
Cc1c([C@H](C)Nc2ccc3c(c2)CC[NH2+]3)cccc1[N+](=O)[O-]	ZINC000423221124	330179384	/nfs/dbraw/zinc/17/93/84/330179384.db2.gz	WGZLGRKGXIEWAV-LBPRGKRZSA-N	1	2	297.358	4.044	20	5		CIBDLO
CC[C@@H](Nc1ccc2c(c1)CC[NH2+]2)c1cccc([N+](=O)[O-])c1	ZINC000423212682	330178073	/nfs/dbraw/zinc/17/80/73/330178073.db2.gz	JASBGDAEKRFNCL-MRXNPFEDSA-N	1	2	297.358	4.126	20	5		CIBDLO
Cc1[nH+]c(C(C)C)ccc1COc1ccccc1[N+](=O)[O-]	ZINC000549011652	334182462	/nfs/dbraw/zinc/18/24/62/334182462.db2.gz	ATCHHMNDTSMPAS-UHFFFAOYSA-N	1	2	286.331	4.001	20	5		CIBDLO
Cc1ccc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)o1	ZINC000036960107	525730160	/nfs/dbraw/zinc/73/01/60/525730160.db2.gz	IYNFOSYEAIYPOS-SNVBAGLBSA-N	1	2	294.738	4.000	20	5		CIBDLO
Cc1[nH+]c(C(C)C)ccc1COc1cccc([N+](=O)[O-])c1	ZINC000569748284	327544929	/nfs/dbraw/zinc/54/49/29/327544929.db2.gz	MLXSEJTUOVQZKY-UHFFFAOYSA-N	1	2	286.331	4.001	20	5		CIBDLO