smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1=[NH+][C@@H]2CC(=O)[C@H]1[C@H](C)C2	4098590	560195906	/nfs/dbraw/zinc/19/59/06/560195906.db2.gz	XWZBTIGBVQYTRB-SHRPOTNHSA-N	1	2	151.209	1.445	1	0	in-vitro	ADAFLO
Cc1ccc2[nH]c(CCO)[nH+]c2c1C	586894416	1188823261	/nfs/dbraw/zinc/82/32/61/1188823261.db2.gz	DJQJIQOVTYLEDR-UHFFFAOYSA-N	1	2	190.246	1.715	1	0		ADAFLO
Cc1cc(C)c2[nH]c(CCO)[nH+]c2c1	586894778	1188823324	/nfs/dbraw/zinc/82/33/24/1188823324.db2.gz	USRMXGPSGKIZCT-UHFFFAOYSA-N	1	2	190.246	1.715	1	0		ADAFLO
Cc1c(F)ccc2[nH]c(CCO)[nH+]c12	586894512	1188823393	/nfs/dbraw/zinc/82/33/93/1188823393.db2.gz	JLBDVXJLOQSQFV-UHFFFAOYSA-N	1	2	194.209	1.545	1	0		ADAFLO
c1ccc(N2CCCC[NH2+]2)cc1	28765101	132186451	/nfs/dbraw/zinc/18/64/51/132186451.db2.gz	JRSOUTCQLHRWDN-UHFFFAOYSA-N	1	2	162.236	1.791	1	0		ADAFLO
C1=C[C@H]2[NH2+][C@@H]1c1cnccc12	28864665	166079223	/nfs/dbraw/zinc/07/92/23/166079223.db2.gz	TVUICQBXCFWNFY-BDAKNGLRSA-N	1	2	144.177	1.337	1	0		ADAFLO
C1=C[C@H]2[NH2+][C@@H]1c1ccncc12	28864662	166080159	/nfs/dbraw/zinc/08/01/59/166080159.db2.gz	TVUICQBXCFWNFY-DTWKUNHWSA-N	1	2	144.177	1.337	1	0		ADAFLO
CCN([NH3+])CCc1ccccc1	60260065	167193300	/nfs/dbraw/zinc/19/33/00/167193300.db2.gz	KUUDBTUHESZGEN-UHFFFAOYSA-N	1	2	164.252	1.425	1	0		ADAFLO
CC[N@@H+]1CCc2onc(OC)c2C1	25964591	167223947	/nfs/dbraw/zinc/22/39/47/167223947.db2.gz	HAOKCUAGCXUNJU-UHFFFAOYSA-N	1	2	182.223	1.061	1	0		ADAFLO
CC[N@H+]1CCc2onc(OC)c2C1	25964591	167223949	/nfs/dbraw/zinc/22/39/49/167223949.db2.gz	HAOKCUAGCXUNJU-UHFFFAOYSA-N	1	2	182.223	1.061	1	0		ADAFLO
CNc1ccc(/C=C\CCCO)c[nH+]1	61898003	168065997	/nfs/dbraw/zinc/06/59/97/168065997.db2.gz	NZWNXHGXCYBEKD-HYXAFXHYSA-N	1	2	192.262	1.909	3	0		ADAFLO
COc1ccc2c(c1)[C@@H]1[NH2+][C@@H]1C2	28006887	168262905	/nfs/dbraw/zinc/26/29/05/168262905.db2.gz	FONOZADNCLFSBX-ZJUUUORDSA-N	1	2	161.204	1.264	1	0		ADAFLO
COc1ccc2c(c1)[C@H]1[NH2+][C@H]1C2	28006883	168264582	/nfs/dbraw/zinc/26/45/82/168264582.db2.gz	FONOZADNCLFSBX-VHSXEESVSA-N	1	2	161.204	1.264	1	0		ADAFLO
Cn1c(N)[nH+]c2sccc21	63539538	169034734	/nfs/dbraw/zinc/03/47/34/169034734.db2.gz	CEYGJHYWLYBCSP-UHFFFAOYSA-N	1	2	153.210	1.217	1	0		ADAFLO
Cn1cccc/c1=[NH+]\CC(F)(F)F	169331862	169048110	/nfs/dbraw/zinc/04/81/10/169048110.db2.gz	YPMRCJBAAGWCGX-KPKJPENVSA-N	1	2	190.168	1.488	1	0		ADAFLO
Fc1ccc(Cn2cc[nH+]c2)cn1	95591231	169083750	/nfs/dbraw/zinc/08/37/50/169083750.db2.gz	CMAQSIBGZCKMDL-UHFFFAOYSA-N	1	2	177.182	1.466	1	0		ADAFLO
[NH3+][C@H]1Oc2ccccc2[C@H](O)S1	12504068	169278940	/nfs/dbraw/zinc/27/89/40/169278940.db2.gz	DVFUKUONLVBBEH-SFYZADRCSA-N	1	2	183.232	1.045	1	0	in-vivo	ADAFLO
[NH3+][C@H]1Oc2ccccc2[C@@H](O)S1	12504066	169280005	/nfs/dbraw/zinc/28/00/05/169280005.db2.gz	DVFUKUONLVBBEH-YUMQZZPRSA-N	1	2	183.232	1.045	1	0	in-vivo	ADAFLO
O=C(Oc1cc[nH+]cc1)c1ccco1	40956721	169361485	/nfs/dbraw/zinc/36/14/85/169361485.db2.gz	ZGXKGMKLBIIXGM-UHFFFAOYSA-N	1	2	189.170	1.894	1	0		ADAFLO
NC(=O)c1ccccc1-c1[nH]cc[nH+]1	63539793	171104327	/nfs/dbraw/zinc/10/43/27/171104327.db2.gz	ZWCBZONYJSNCKK-UHFFFAOYSA-N	1	2	187.202	1.176	1	0		ADAFLO
Cc1[nH]ncc1[C@@H]([NH3+])c1ccccc1	95921492	343690089	/nfs/dbraw/zinc/69/00/89/343690089.db2.gz	LEVGFVRCRUTFFT-NSHDSACASA-N	1	2	187.246	1.766	1	0		ADAFLO
Cc1[nH]ncc1[C@H]([NH3+])c1ccccc1	95921491	343690176	/nfs/dbraw/zinc/69/01/76/343690176.db2.gz	LEVGFVRCRUTFFT-LLVKDONJSA-N	1	2	187.246	1.766	1	0		ADAFLO