smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1ccc(Cn2cc[nH+]c2)cc1Sc1ccc(Cl)cc1Cl	ZINC000000585798	581101062	/nfs/dbraw/zinc/10/10/62/581101062.db2.gz	JRTOBKVVIBBEQD-UHFFFAOYSA-N	1	2	360.269	5.261	1	30		FKEFLO
CCC1C=C(C=NCC[NH+]=CC2=CC(CC)SC2=S)C(=S)S1	ZINC000002895827	263327405	/nfs/dbraw/zinc/32/74/05/263327405.db2.gz	VVEQTEZYLMMYBK-BEQMOXJMSA-N	1	2	368.618	5.050	1	30		FKEFLO
C/C(=N/O)c1cccc(Nc2[nH+]c3ccccc3c3[nH]c4ccccc4c32)c1	ZINC000005597229	207107769	/nfs/dbraw/zinc/10/77/69/207107769.db2.gz	CFFACRWPWIZWGJ-VYYCAZPPSA-N	1	2	366.424	5.811	1	30		FKEFLO
N#Cc1ccc(Cn2cc[nH+]c2)cc1Oc1ccccc1-c1ccccc1	ZINC000028253535	581101006	/nfs/dbraw/zinc/10/10/06/581101006.db2.gz	RYKIAQZQXCZXEZ-UHFFFAOYSA-N	1	2	351.409	5.262	1	30		FKEFLO
N#Cc1ccc(Cn2cc[nH+]c2)cc1Oc1cccc(Nc2ccccc2)c1	ZINC000028254097	581101122	/nfs/dbraw/zinc/10/11/22/581101122.db2.gz	IVHZRYBZVXHBJC-UHFFFAOYSA-N	1	2	366.424	5.339	1	30		FKEFLO
N#Cc1ccc(Cn2cc[nH+]c2)cc1Oc1cccc(Cc2ccccc2)c1	ZINC000028254604	581101115	/nfs/dbraw/zinc/10/11/15/581101115.db2.gz	WAHQJJLIQLLJGD-UHFFFAOYSA-N	1	2	365.436	5.186	1	30		FKEFLO
N#Cc1ccc(Cn2cc[nH+]c2)cc1Oc1cccc(Oc2ccccc2)c1	ZINC000028255575	581101014	/nfs/dbraw/zinc/10/10/14/581101014.db2.gz	AQAZIJJBKQIIAP-UHFFFAOYSA-N	1	2	367.408	5.388	1	30		FKEFLO
N#Cc1ccc(Cn2cc[nH+]c2)cc1Oc1ccc(-c2ccccc2)cc1	ZINC000028255615	211484682	/nfs/dbraw/zinc/48/46/82/211484682.db2.gz	ZBEYLAQXRONUIF-UHFFFAOYSA-N	1	2	351.409	5.262	1	30		FKEFLO
N#Cc1ccc(Cn2cc[nH+]c2)cc1Oc1cccc(-c2ccccc2)c1	ZINC000028256486	581101073	/nfs/dbraw/zinc/10/10/73/581101073.db2.gz	RMXCVAFRLLKAJD-UHFFFAOYSA-N	1	2	351.409	5.262	1	30		FKEFLO
Clc1ccc2c(NN=Cc3ccccc3Br)cc[nH+]c2c1	ZINC000033411734	208090227	/nfs/dbraw/zinc/09/02/27/208090227.db2.gz	FEIPKKUNQNPRSR-JMIUGGIZSA-N	1	2	360.642	5.097	1	30		FKEFLO
CNC1=[NH+]c2ccc(Cl)cc2C(c2ccccc2)=N[C@H]1c1cccs1	ZINC000040411656	205070971	/nfs/dbraw/zinc/07/09/71/205070971.db2.gz	FNPOKSXSTSXKHN-IBGZPJMESA-N	1	2	365.889	5.434	1	30		FKEFLO
CCCCCCCCO[C@@H]1c2cc(Cl)ccc2OC[C@@H]1n1cc[nH+]c1	ZINC000043379650	205102317	/nfs/dbraw/zinc/10/23/17/205102317.db2.gz	SWSUELLDBCHFTF-AZUAARDMSA-N	1	2	362.901	5.588	1	30		FKEFLO
CCCCCCCCO[C@H]1c2cc(Cl)ccc2OC[C@@H]1n1cc[nH+]c1	ZINC000043379652	205102668	/nfs/dbraw/zinc/10/26/68/205102668.db2.gz	SWSUELLDBCHFTF-ICSRJNTNSA-N	1	2	362.901	5.588	1	30		FKEFLO
CCCCCCCCO[C@@H]1c2cc(Cl)ccc2OC[C@H]1n1cc[nH+]c1	ZINC000043379654	205102089	/nfs/dbraw/zinc/10/20/89/205102089.db2.gz	SWSUELLDBCHFTF-UYAOXDASSA-N	1	2	362.901	5.588	1	30		FKEFLO
Nc1[nH+]c(-c2ccccc2)c(-c2ccccc2)n1/N=C/c1ccc(Cl)cc1	ZINC000045366286	208331692	/nfs/dbraw/zinc/33/16/92/208331692.db2.gz	RUVPDUPZCOCLCT-MFKUBSTISA-N	1	2	372.859	5.335	1	30		FKEFLO
Cc1cc2c(cc1C)NC1(CCCCC1)C(=[NH+]Cc1cc(F)cc(F)c1)N2	ZINC000046152937	211835229	/nfs/dbraw/zinc/83/52/29/211835229.db2.gz	MYYSHXCWQZWZBM-UHFFFAOYSA-N	1	2	369.459	5.721	1	30		FKEFLO
COc1ccc(C=NNc2cc[nH+]c3cc(F)c(C)cc23)c2ccccc12	ZINC000048308945	221007054	/nfs/dbraw/zinc/00/70/54/221007054.db2.gz	JSPHZLYBRIGZSL-MXAYSNPKSA-N	1	2	359.404	5.290	1	30		FKEFLO
CCCN(CCC)/C(C)=[NH+]/c1nc2ccc(OC(F)(F)F)cc2s1	ZINC000049072833	205168375	/nfs/dbraw/zinc/16/83/75/205168375.db2.gz	JLBQGCAZDYEFIR-RGVLZGJSSA-N	1	2	359.417	5.367	1	30		FKEFLO
CCCCCCCC[N@@H+](C)c1ccc(OC23CC4CC(CC(C4)C2)C3)cc1	ZINC000060043765	212018565	/nfs/dbraw/zinc/01/85/65/212018565.db2.gz	DUUAFLBDYGZOSX-UHFFFAOYSA-N	1	2	369.593	6.831	1	30		FKEFLO
CCCCCCCC[N@H+](C)c1ccc(OC23CC4CC(CC(C4)C2)C3)cc1	ZINC000060043765	212018562	/nfs/dbraw/zinc/01/85/62/212018562.db2.gz	DUUAFLBDYGZOSX-UHFFFAOYSA-N	1	2	369.593	6.831	1	30		FKEFLO
N#Cc1ccc2[nH+]c(-c3ccccc3Cl)c(NC3CCCCC3)n2c1	ZINC000068198859	221314261	/nfs/dbraw/zinc/31/42/61/221314261.db2.gz	HOKOJWCQXBUVRG-UHFFFAOYSA-N	1	2	350.853	5.271	1	30		FKEFLO
N#Cc1ccc([C@H]2C[C@H](n3cc[nH+]c3)c3ccc4ccccc4c3O2)cc1	ZINC000071281923	221338435	/nfs/dbraw/zinc/33/84/35/221338435.db2.gz	DUNNACINMFVVPI-FCHUYYIVSA-N	1	2	351.409	5.021	1	30		FKEFLO
N#Cc1ccc([C@@H]2C[C@@H](n3cc[nH+]c3)c3ccc4ccccc4c3O2)cc1	ZINC000071281925	221337849	/nfs/dbraw/zinc/33/78/49/221337849.db2.gz	DUNNACINMFVVPI-YADHBBJMSA-N	1	2	351.409	5.021	1	30		FKEFLO
CCO/[NH+]=C1\CC(C)(C)Nc2cc(F)c(-c3cccc4cc[nH]c43)c(F)c21	ZINC000071296562	221341292	/nfs/dbraw/zinc/34/12/92/221341292.db2.gz	MTAFUPWVPKKRQG-WGOQTCKBSA-N	1	2	369.415	5.448	1	30		FKEFLO
CC1(C(=O)C=C(O)c2ccc(Cl)cc2)CC[NH+](Cc2ccccc2)CC1	ZINC000101080963	209220987	/nfs/dbraw/zinc/22/09/87/209220987.db2.gz	FSHKWBYMYDCHAB-HKWRFOASSA-N	1	2	369.892	5.110	1	30		FKEFLO
CCCCCCCCCCCC[N+](C)(C)Cc1cc([N+](=O)[O-])ccc1O	ZINC000169337919	717155815	/nfs/dbraw/zinc/15/58/15/717155815.db2.gz	KIBHSHRNSSSUOO-UHFFFAOYSA-O	1	2	365.538	5.798	1	30		FKEFLO
Clc1ccc2c(NN=Cc3cccc(Br)c3)cc[nH+]c2c1	ZINC000005694567	219694260	/nfs/dbraw/zinc/69/42/60/219694260.db2.gz	JJTYWBMDLBXULI-KEBDBYFISA-N	1	2	360.642	5.097	3	30		FKEFLO
N#Cc1ccc(-c2[nH+]c3c4ccccc4ccn3c2CC2CCCCC2)cc1	ZINC000095569877	205788627	/nfs/dbraw/zinc/78/86/27/205788627.db2.gz	MEYXEALYPQEAPY-UHFFFAOYSA-N	1	2	365.480	6.149	3	30		FKEFLO