smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCNc1nc(N2CCC[N@H+](C)CC2)[nH+]c2cc(OC)c(OC)cc21	ZINC000036382569	213092739	/nfs/dbraw/zinc/09/27/39/213092739.db2.gz	ZPGSQOKCCPVAQI-UHFFFAOYSA-N	2	2	345.447	2.221	1	0		EEAFLP
CCNc1nc(N2CCC[N@@H+](C)CC2)[nH+]c2cc(OC)c(OC)cc21	ZINC000036382569	213092742	/nfs/dbraw/zinc/09/27/42/213092742.db2.gz	ZPGSQOKCCPVAQI-UHFFFAOYSA-N	2	2	345.447	2.221	1	0		EEAFLP
c1ccc(CN2CC[N@H+](Cc3ccccc3)C[C@H]2C2=[NH+]CCN2)cc1	ZINC000055906551	214347614	/nfs/dbraw/zinc/34/76/14/214347614.db2.gz	LWONSXGMCCEMHH-FQEVSTJZSA-N	2	2	334.467	2.375	1	0		EEAFLP
c1ccc(CN2CC[N@@H+](Cc3ccccc3)C[C@H]2C2=[NH+]CCN2)cc1	ZINC000055906551	214347617	/nfs/dbraw/zinc/34/76/17/214347617.db2.gz	LWONSXGMCCEMHH-FQEVSTJZSA-N	2	2	334.467	2.375	1	0		EEAFLP
COCCc1ncc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](CC2CC2)C3)cn1	ZINC000055072622	214269714	/nfs/dbraw/zinc/26/97/14/214269714.db2.gz	YMUXLZJXHPWBAB-FQEVSTJZSA-N	2	2	344.503	2.363	1	0		EEAFLP
COCCc1ncc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](CC2CC2)C3)cn1	ZINC000055072622	214269717	/nfs/dbraw/zinc/26/97/17/214269717.db2.gz	YMUXLZJXHPWBAB-FQEVSTJZSA-N	2	2	344.503	2.363	1	0		EEAFLP
COCCc1ncc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](CC2CC2)C3)cn1	ZINC000055072622	214269718	/nfs/dbraw/zinc/26/97/18/214269718.db2.gz	YMUXLZJXHPWBAB-FQEVSTJZSA-N	2	2	344.503	2.363	1	0		EEAFLP
COCCc1ncc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](CC2CC2)C3)cn1	ZINC000055072622	214269721	/nfs/dbraw/zinc/26/97/21/214269721.db2.gz	YMUXLZJXHPWBAB-FQEVSTJZSA-N	2	2	344.503	2.363	1	0		EEAFLP
C[NH+](C)CCn1cc(S(=O)(=O)c2ccccc2)c2c[nH+]ccc21	ZINC000038692367	213221127	/nfs/dbraw/zinc/22/11/27/213221127.db2.gz	KYBXMCTVFYOUEH-UHFFFAOYSA-N	2	2	329.425	2.431	1	0		EEAFLP
C[N@@H+]1[C@@H](c2ccccc2F)[C@@H](C[NH2+]Cc2ccc(CO)o2)C[C@H]1CO	ZINC000039372146	213234993	/nfs/dbraw/zinc/23/49/93/213234993.db2.gz	PRIJUVPQAMZNNT-BIENJYKASA-N	2	2	348.418	2.055	1	0		EEAFLP
CCCc1c[nH]c([C@@H]2Cc3cc(OC)ccc3N2C(=O)[C@H](C)[NH3+])[nH+]1	ZINC000027519720	202156116	/nfs/dbraw/zinc/15/61/16/202156116.db2.gz	ARUVKVSJIGMFGP-ZBEGNZNMSA-N	2	2	328.416	2.348	1	0		EEAFLP
Cc1nc([C@H]2CCC[NH2+]C2)cc(N(Cc2[nH+]ccn2C)C2CC2)n1	ZINC000067714241	215193801	/nfs/dbraw/zinc/19/38/01/215193801.db2.gz	VZSRFGRCNPKEJS-AWEZNQCLSA-N	2	2	326.448	2.155	1	0		EEAFLP
COCCc1ncc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](CC2CC2)C3)cn1	ZINC000055072626	214269244	/nfs/dbraw/zinc/26/92/44/214269244.db2.gz	YMUXLZJXHPWBAB-HXUWFJFHSA-N	2	2	344.503	2.363	1	0		EEAFLP
COCCc1ncc(C[N@H+]2CC[C@]3(C2)CCC[NH+](CC2CC2)C3)cn1	ZINC000055072626	214269246	/nfs/dbraw/zinc/26/92/46/214269246.db2.gz	YMUXLZJXHPWBAB-HXUWFJFHSA-N	2	2	344.503	2.363	1	0		EEAFLP
COCCc1ncc(C[NH+]2CC[C@]3(C2)CCC[N@H+](CC2CC2)C3)cn1	ZINC000055072626	214269249	/nfs/dbraw/zinc/26/92/49/214269249.db2.gz	YMUXLZJXHPWBAB-HXUWFJFHSA-N	2	2	344.503	2.363	1	0		EEAFLP
COCCc1ncc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](CC2CC2)C3)cn1	ZINC000055072626	214269250	/nfs/dbraw/zinc/26/92/50/214269250.db2.gz	YMUXLZJXHPWBAB-HXUWFJFHSA-N	2	2	344.503	2.363	1	0		EEAFLP
COc1cc2[nH+]c(N3CC[NH+](C)CC3)nc(NC(C)C)c2cc1OC	ZINC000036382499	536895200	/nfs/dbraw/zinc/89/52/00/536895200.db2.gz	NFZBIGDXVSAQPE-UHFFFAOYSA-N	2	2	345.447	2.219	1	0		EEAFLP
C[N@@H+]1CCN(Cc2ccc(Cl)cc2Cl)[C@@H](C2=[NH+]CCN2)C1	ZINC000169306742	529774085	/nfs/dbraw/zinc/77/40/85/529774085.db2.gz	QFCJEMBKXJNJTL-CQSZACIVSA-N	2	2	327.259	2.111	1	0		EEAFLP
C[N@H+]1CCN(Cc2ccc(Cl)cc2Cl)[C@@H](C2=[NH+]CCN2)C1	ZINC000169306742	529774087	/nfs/dbraw/zinc/77/40/87/529774087.db2.gz	QFCJEMBKXJNJTL-CQSZACIVSA-N	2	2	327.259	2.111	1	0		EEAFLP
Cc1cc2c3c(ccc2OCCC[NH2+]CC[NH+](C)C)c(C)cc(=O)n13	ZINC000169310489	226240009	/nfs/dbraw/zinc/24/00/09/226240009.db2.gz	JVTFUYQHKGLYOT-UHFFFAOYSA-N	2	2	341.455	2.427	1	0		EEAFLP
[NH3+]CCCC[N@H+](Cc1nc2ccccc2[nH]1)Cc1ncccc1O	ZINC000066076850	215006959	/nfs/dbraw/zinc/00/69/59/215006959.db2.gz	JJGIMBLFDDBAOR-UHFFFAOYSA-N	2	2	325.416	2.405	1	0		EEAFLP
Cc1c[nH+]c(NCCCN2CC[NH+](C)CC2)c2c3c[nH+]ccc3[nH]c21	ZINC000101219892	219120192	/nfs/dbraw/zinc/12/01/92/219120192.db2.gz	QEYFRGRTOCNGLN-UHFFFAOYSA-N	3	2	338.459	2.421	1	0		EEAFLP
CN(CCC[NH2+]Cc1ccccc1)c1nc(-n2cc[nH+]c2)ns1	ZINC000038266566	213205924	/nfs/dbraw/zinc/20/59/24/213205924.db2.gz	BPGNDAYVHOVZHS-UHFFFAOYSA-N	2	2	328.445	2.340	1	0		EEAFLP
COC(=O)C[C@@H]1c2ccccc2[NH+]=C(N2CC[NH+](C)CC2)N1C(C)C	ZINC000049872000	214034061	/nfs/dbraw/zinc/03/40/61/214034061.db2.gz	HLWRNIUKLMCYMD-QGZVFWFLSA-N	2	2	344.459	2.250	1	0		EEAFLP