smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)c1ccc(C=[NH+]N2CC[NH+](Cc3ccccc3Cl)CC2)cc1	ZINC000238937456	522160079	/nfs/dbraw/zinc/16/00/79/522160079.db2.gz	VNUOLMATLPCKQO-UHFFFAOYSA-N	2	2	356.901	3.558	50	30		FHEALP
CCCCCCCCCCCc1[nH+]ccn1CCc1nc(N)nc(N)[nH+]1	ZINC000079409004	520018431	/nfs/dbraw/zinc/01/84/31/520018431.db2.gz	QZDGTFKTHGKXEP-UHFFFAOYSA-N	2	2	359.522	3.549	50	30		FHEALP
CCN(CC)c1ccc(/C=[NH+]/N2CC[NH+](Cc3ccc(C)cc3)CC2)cc1	ZINC000013571916	520882510	/nfs/dbraw/zinc/88/25/10/520882510.db2.gz	HXXNBXJQFGTMLM-HKOYGPOVSA-N	2	2	364.537	3.993	50	30		FHEALP
CN(C)c1ccc(/C=[NH+]/N2CC[NH+](Cc3ccccc3Cl)CC2)cc1	ZINC000013633116	570781329	/nfs/dbraw/zinc/78/13/29/570781329.db2.gz	VNUOLMATLPCKQO-PXLXIMEGSA-N	2	2	356.901	3.558	50	30		FHEALP
Cn1cc(C[N@@H+]2CCC[C@]3(CCC[NH+](Cc4ccccc4)C3)C2)cc1C#N	ZINC000072454748	571319181	/nfs/dbraw/zinc/31/91/81/571319181.db2.gz	SKESXAHCNOBXRW-QHCPKHFHSA-N	2	2	362.521	3.775	50	30		FHEALP
Cn1cc(C[N@H+]2CCC[C@]3(CCC[NH+](Cc4ccccc4)C3)C2)cc1C#N	ZINC000072454748	571319182	/nfs/dbraw/zinc/31/91/82/571319182.db2.gz	SKESXAHCNOBXRW-QHCPKHFHSA-N	2	2	362.521	3.775	50	30		FHEALP
Cn1cc(C[NH+]2CCC[C@]3(CCC[N@H+](Cc4ccccc4)C3)C2)cc1C#N	ZINC000072454748	571319183	/nfs/dbraw/zinc/31/91/83/571319183.db2.gz	SKESXAHCNOBXRW-QHCPKHFHSA-N	2	2	362.521	3.775	50	30		FHEALP
Cn1cc(C[NH+]2CCC[C@]3(CCC[N@@H+](Cc4ccccc4)C3)C2)cc1C#N	ZINC000072454748	571319184	/nfs/dbraw/zinc/31/91/84/571319184.db2.gz	SKESXAHCNOBXRW-QHCPKHFHSA-N	2	2	362.521	3.775	50	30		FHEALP
N#CCCn1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc21	ZINC000022800037	526467181	/nfs/dbraw/zinc/46/71/81/526467181.db2.gz	SBIKJHMXFUPVRE-NRFANRHFSA-N	2	2	358.489	3.919	50	30		FHEALP
N#CCCn1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc21	ZINC000022800037	526467190	/nfs/dbraw/zinc/46/71/90/526467190.db2.gz	SBIKJHMXFUPVRE-NRFANRHFSA-N	2	2	358.489	3.919	50	30		FHEALP
N#CCCn1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc21	ZINC000022800043	570950192	/nfs/dbraw/zinc/95/01/92/570950192.db2.gz	SBIKJHMXFUPVRE-OAQYLSRUSA-N	2	2	358.489	3.919	50	30		FHEALP
N#CCCn1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc21	ZINC000022800043	570950198	/nfs/dbraw/zinc/95/01/98/570950198.db2.gz	SBIKJHMXFUPVRE-OAQYLSRUSA-N	2	2	358.489	3.919	50	30		FHEALP
Cc1c(C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc(C#N)n1C	ZINC000048363721	570951682	/nfs/dbraw/zinc/95/16/82/570951682.db2.gz	QRIKRMGBYPQYNS-UHFFFAOYSA-N	2	2	356.901	3.613	50	30		FHEALP
CC[NH+](CC)CCn1c2ccccc2c2cnc(/[NH+]=C/N(C)C)c(C#N)c21	ZINC000004082825	207000297	/nfs/dbraw/zinc/00/02/97/207000297.db2.gz	FSSPFNPJPNQALE-BUVRLJJBSA-N	2	2	362.481	3.624	50	30		FHEALP
Cn1cc(C[N@@H+]2CCC[C@@]3(CCC[NH+](Cc4ccccc4)C3)C2)cc1C#N	ZINC000102663465	209239447	/nfs/dbraw/zinc/23/94/47/209239447.db2.gz	SKESXAHCNOBXRW-HSZRJFAPSA-N	2	2	362.521	3.775	50	30		FHEALP
Cn1cc(C[N@H+]2CCC[C@@]3(CCC[NH+](Cc4ccccc4)C3)C2)cc1C#N	ZINC000102663465	209239448	/nfs/dbraw/zinc/23/94/48/209239448.db2.gz	SKESXAHCNOBXRW-HSZRJFAPSA-N	2	2	362.521	3.775	50	30		FHEALP
Cn1cc(C[NH+]2CCC[C@@]3(CCC[N@H+](Cc4ccccc4)C3)C2)cc1C#N	ZINC000102663465	209239452	/nfs/dbraw/zinc/23/94/52/209239452.db2.gz	SKESXAHCNOBXRW-HSZRJFAPSA-N	2	2	362.521	3.775	50	30		FHEALP
Cn1cc(C[NH+]2CCC[C@@]3(CCC[N@@H+](Cc4ccccc4)C3)C2)cc1C#N	ZINC000102663465	209239454	/nfs/dbraw/zinc/23/94/54/209239454.db2.gz	SKESXAHCNOBXRW-HSZRJFAPSA-N	2	2	362.521	3.775	50	30		FHEALP
CCN(CC)c1ccc(C=[NH+]N2CC[NH+](Cc3ccccc3)CC2)cc1	ZINC000238900280	520889975	/nfs/dbraw/zinc/88/99/75/520889975.db2.gz	IMZIFRKFRVCUCI-UHFFFAOYSA-N	2	2	350.510	3.685	50	30		FHEALP
CCN(CC)c1ccc(/C=[NH+]\N2CC[NH+](Cc3ccc(C)cc3)CC2)cc1	ZINC000019773028	263376684	/nfs/dbraw/zinc/37/66/84/263376684.db2.gz	HXXNBXJQFGTMLM-MOHJPFBDSA-N	2	2	364.537	3.993	50	30		FHEALP
C=C(Cl)COc1nc2cc(F)ccc2cc1C[NH2+]CCCn1cc[nH+]c1	ZINC000011911784	571116781	/nfs/dbraw/zinc/11/67/81/571116781.db2.gz	LVIBJOJLHRUICA-UHFFFAOYSA-N	2	2	374.847	3.882	50	30		FHEALP
N#Cc1ccc(-c2cn3c4ccccc4n(CC[NH+]4CCCC4)c3[nH+]2)cc1	ZINC000253470534	571318542	/nfs/dbraw/zinc/31/85/42/571318542.db2.gz	CEYZWWUTENQYAF-UHFFFAOYSA-N	2	2	355.445	3.923	50	30		FHEALP
N#Cc1ccc(C[NH+]2CCC(c3[nH+]ccn3Cc3cscn3)CC2)cc1	ZINC000091808242	570872911	/nfs/dbraw/zinc/87/29/11/570872911.db2.gz	NEWRWLRSJYDHPX-UHFFFAOYSA-N	2	2	363.490	3.639	50	30		FHEALP
Cc1cccc2[nH+]c(C3CC[NH+](Cc4cc(C#CCO)cs4)CC3)[nH]c21	ZINC000067834036	571082813	/nfs/dbraw/zinc/08/28/13/571082813.db2.gz	ZZWMIAZLRQUDDL-UHFFFAOYSA-N	2	2	365.502	3.656	50	30		FHEALP
Cc1cccc2[nH]c(C3CC[NH+](Cc4cc(C#CCO)cs4)CC3)[nH+]c21	ZINC000067834036	571082819	/nfs/dbraw/zinc/08/28/19/571082819.db2.gz	ZZWMIAZLRQUDDL-UHFFFAOYSA-N	2	2	365.502	3.656	50	30		FHEALP
N#Cc1ccccc1C[N@@H+]1CCC[C@H](c2[nH+]ccn2Cc2cscn2)C1	ZINC000095386811	571329195	/nfs/dbraw/zinc/32/91/95/571329195.db2.gz	ILOWWZVAULOYDL-SFHVURJKSA-N	2	2	363.490	3.639	50	30		FHEALP
N#Cc1ccccc1C[N@H+]1CCC[C@H](c2[nH+]ccn2Cc2cscn2)C1	ZINC000095386811	571329196	/nfs/dbraw/zinc/32/91/96/571329196.db2.gz	ILOWWZVAULOYDL-SFHVURJKSA-N	2	2	363.490	3.639	50	30		FHEALP
C=CCC1(OC)CC[NH+](C2CCN(c3cc(CCC)[nH+]c(C)n3)CC2)CC1	ZINC000096162457	571072509	/nfs/dbraw/zinc/07/25/09/571072509.db2.gz	PGYPEXUCNUZNIC-UHFFFAOYSA-N	2	2	372.557	3.763	50	30		FHEALP
N#Cc1ccccc1C[NH+]1CCC(c2[nH+]ccn2Cc2cscn2)CC1	ZINC000091973893	571323388	/nfs/dbraw/zinc/32/33/88/571323388.db2.gz	ANSHFIHFQVHOSI-UHFFFAOYSA-N	2	2	363.490	3.639	50	30		FHEALP
CN(CCC#N)c1ccc(C[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)cc1	ZINC000022801057	522674527	/nfs/dbraw/zinc/67/45/27/522674527.db2.gz	VOFVHVVWELQYLY-HSZRJFAPSA-N	2	2	362.521	3.963	50	30		FHEALP
N#Cc1ccccc1C[N@@H+]1CCC[C@@H](c2[nH+]ccn2Cc2cscn2)C1	ZINC000095386812	571329178	/nfs/dbraw/zinc/32/91/78/571329178.db2.gz	ILOWWZVAULOYDL-GOSISDBHSA-N	2	2	363.490	3.639	50	30		FHEALP
N#Cc1ccccc1C[N@H+]1CCC[C@@H](c2[nH+]ccn2Cc2cscn2)C1	ZINC000095386812	571329179	/nfs/dbraw/zinc/32/91/79/571329179.db2.gz	ILOWWZVAULOYDL-GOSISDBHSA-N	2	2	363.490	3.639	50	30		FHEALP
CN(CCC#N)c1ccc(C[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)cc1	ZINC000022801051	522674462	/nfs/dbraw/zinc/67/44/62/522674462.db2.gz	VOFVHVVWELQYLY-QHCPKHFHSA-N	2	2	362.521	3.963	50	30		FHEALP
CCc1[nH]c(C)c(-c2cc(-c3cc(C[NH+](C)C)cs3)nc(N)c2C#N)[nH+]1	ZINC000071754539	571080196	/nfs/dbraw/zinc/08/01/96/571080196.db2.gz	VYLVMUBUNKSRGB-UHFFFAOYSA-N	2	2	366.494	3.587	50	30		FHEALP
CCN(CC)c1ccc(/C=[NH+]/N2CC[NH+](Cc3ccccc3)CC2)cc1	ZINC000019771375	263376130	/nfs/dbraw/zinc/37/61/30/263376130.db2.gz	IMZIFRKFRVCUCI-PTGBLXJZSA-N	2	2	350.510	3.685	50	30		FHEALP