smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(CN2C(=[NH2+])NC(=[NH2+])NC23CCCCC3)cc1	ZINC000072105218	191036760	/nfs/dbraw/zinc/03/67/60/191036760.db2.gz	FKBZZNLQIZAWLZ-UHFFFAOYSA-N	2	0	301.394	1.801	1	0		DDAFRP
CC(C)=CCNC(=[NH2+])NCCCCNC(=[NH2+])NCC=C(C)C	ZINC000043076042	183334230	/nfs/dbraw/zinc/33/42/30/183334230.db2.gz	OYAVKOOKXIIYLX-UHFFFAOYSA-N	2	0	308.474	1.927	1	0		DDAFRP
NC(=[NH2+])c1ccc(-c2cc(-c3cccc(C(N)=[NH2+])c3)no2)nc1	ZINC000103228032	185439434	/nfs/dbraw/zinc/43/94/34/185439434.db2.gz	DHISYQTYNKQMED-UHFFFAOYSA-N	2	0	306.329	1.972	1	0		DDAFRP
Cc1c2nc(C(=[NH2+])N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)[nH]c2ccc1F	ZINC000073222745	191294301	/nfs/dbraw/zinc/29/43/01/191294301.db2.gz	IQFSLGXXRJNFFI-PHIMTYICSA-N	2	0	301.369	1.829	1	0		DDAFRP
C[C@H]1O[C@@H](C[C@H]2[NH2+]CCc3c4ccccc4[nH]c32)OC[C@H]1[NH3+]	ZINC000064498924	184298832	/nfs/dbraw/zinc/29/88/32/184298832.db2.gz	RVLZVKJDDXMNMS-NMFKLSHFSA-N	2	0	301.390	1.834	1	0		DDAFRP
CC[NH2+]CCCC[NH2+]C[C@@H]1CC[C@H]1C[NH2+]CCCC[NH2+]CC	ZINC000003994239	181060434	/nfs/dbraw/zinc/06/04/34/181060434.db2.gz	YKLZLOYSULJBBB-ROUUACIJSA-N	4	0	312.546	1.971	1	0		DDAFRP
CC[NH2+]C[C@H]1C[C@H]1C[NH2+]CCCC[NH2+]C[C@H]1C[C@@H]1C[NH2+]CC	ZINC000027523114	182475217	/nfs/dbraw/zinc/47/52/17/182475217.db2.gz	KHXVWBSQJUHBHS-TVFCKZIOSA-N	4	0	310.530	1.437	1	0		DDAFRP
Cn1c(-c2ccc(C(N)=[NH2+])nc2)ccc1-c1ccc(C(N)=[NH2+])nc1	ZINC000066101197	184389214	/nfs/dbraw/zinc/38/92/14/184389214.db2.gz	VOMFTOKXQWFMCN-UHFFFAOYSA-N	2	0	319.372	1.717	1	0		DDAFRP
NC(=[NH2+])c1ccc(-c2cnc(-c3ccc(C(N)=[NH2+])cn3)s2)nc1	ZINC000049784440	183758873	/nfs/dbraw/zinc/75/88/73/183758873.db2.gz	NHZWGKGWLXLXMA-UHFFFAOYSA-N	2	0	323.385	1.835	1	0		DDAFRP
NC(=[NH2+])c1ccc(-c2cncc(-c3ccc(C(N)=[NH2+])nc3)n2)cn1	ZINC000096938733	185392937	/nfs/dbraw/zinc/39/29/37/185392937.db2.gz	DWHWQLNEFMKNCK-UHFFFAOYSA-N	2	0	318.344	1.169	1	0		DDAFRP
CCC(=O)N(CC[NH3+])C1CC[NH+](CCc2ccccc2)CC1	ZINC000066122910	184391159	/nfs/dbraw/zinc/39/11/59/184391159.db2.gz	ZBDYUZGPQNZVRU-UHFFFAOYSA-N	2	0	303.450	1.891	1	0		DDAFRP
NC(=[NH2+])c1ccc(-c2cncc(-c3ccc(C(N)=[NH2+])nc3)n2)cc1	ZINC000096938474	185393125	/nfs/dbraw/zinc/39/31/25/185393125.db2.gz	XZBDQDOPHFVEQE-UHFFFAOYSA-N	2	0	317.356	1.774	1	0		DDAFRP
CC[NH2+]C[C@H]1C[C@@H]1C[NH2+]CCCC[NH2+]C[C@H]1C[C@@H]1C[NH2+]CC	ZINC000043060515	183332496	/nfs/dbraw/zinc/33/24/96/183332496.db2.gz	KHXVWBSQJUHBHS-BRSBDYLESA-N	4	0	310.530	1.437	1	0		DDAFRP
[NH3+]CC(=O)Nc1ccc(Cc2ccc(NC(=O)C[NH3+])cc2)cc1	ZINC000066098863	184388942	/nfs/dbraw/zinc/38/89/42/184388942.db2.gz	HDTWNXGURNIKNM-UHFFFAOYSA-N	2	0	312.373	1.072	1	0		DDAFRP
NC(=[NH2+])c1ccc(-c2cc(-c3cccc(C(N)=[NH2+])c3)on2)nc1	ZINC000103228054	185439649	/nfs/dbraw/zinc/43/96/49/185439649.db2.gz	HXUWVONCDXUTBL-UHFFFAOYSA-N	2	0	306.329	1.972	1	0		DDAFRP
Cc1ccc(CN2CCC[NH2+]CCNCCC[NH2+]CC2)cc1	ZINC000022875086	182339293	/nfs/dbraw/zinc/33/92/93/182339293.db2.gz	YYKNLRGFDMOOFB-UHFFFAOYSA-N	2	0	304.482	1.360	1	0		DDAFRP
Nc1ncnc2c1c(-c1ccccc1)cn2[C@H]1C[NH2+][C@H](CO)C1	ZINC000004638112	181130738	/nfs/dbraw/zinc/13/07/38/181130738.db2.gz	CBMZHRLWBJZWAP-QWHCGFSZSA-N	2	0	309.373	1.576	1	0		DDAFRP
NC(=[NH2+])c1cncc(-c2cc(-c3ccc(C(N)=[NH2+])nc3)on2)c1	ZINC000103226176	185438741	/nfs/dbraw/zinc/43/87/41/185438741.db2.gz	XSIVJEGBLHPTRF-UHFFFAOYSA-N	2	0	307.317	1.367	1	0		DDAFRP
NC(=[NH2+])c1ccc(-c2cc(-c3ccc(C(N)=[NH2+])cn3)on2)cc1	ZINC000103228018	185439625	/nfs/dbraw/zinc/43/96/25/185439625.db2.gz	UURUSVXHWUMEST-UHFFFAOYSA-N	2	0	306.329	1.972	1	0		DDAFRP
CC1(C)C=C(C(=O)NCCC[NH2+]Cc2ccc[nH]2)C(C)(C)[NH2+]1	ZINC000040466156	183072450	/nfs/dbraw/zinc/07/24/50/183072450.db2.gz	BIPYDKZHDAZJOB-UHFFFAOYSA-N	2	0	304.438	1.697	1	0		DDAFRP
NC(=[NH2+])c1cncc(-c2cc(-c3cncc(C(N)=[NH2+])c3)on2)c1	ZINC000103227999	185439486	/nfs/dbraw/zinc/43/94/86/185439486.db2.gz	SCTOWMRMKIISLR-UHFFFAOYSA-N	2	0	307.317	1.367	1	0		DDAFRP
CC[NH2+]CCCC[NH2+]C[C@@H]1CC[C@@H]1C[NH2+]CCCC[NH2+]CC	ZINC000027318796	182468348	/nfs/dbraw/zinc/46/83/48/182468348.db2.gz	YKLZLOYSULJBBB-HDICACEKSA-N	4	0	312.546	1.971	1	0		DDAFRP
NC(=[NH2+])c1cccc(-c2cc(-c3cncc(C(N)=[NH2+])c3)on2)c1	ZINC000103227987	185439636	/nfs/dbraw/zinc/43/96/36/185439636.db2.gz	KPTGRZMUZUYCFV-UHFFFAOYSA-N	2	0	306.329	1.972	1	0		DDAFRP
CCCN(Cc1cccc(CN(CCC)C(N)=[NH2+])c1)C(N)=[NH2+]	ZINC000027103289	182462436	/nfs/dbraw/zinc/46/24/36/182462436.db2.gz	FIMZTNSDXIYRNP-UHFFFAOYSA-N	2	0	304.442	1.898	1	0		DDAFRP
[NH3+]CCCC[NH2+]CCCNC(=O)C(=O)c1c[nH]c2ccccc12	ZINC000071294886	190953976	/nfs/dbraw/zinc/95/39/76/190953976.db2.gz	TUOXXENDICUNMW-UHFFFAOYSA-N	2	0	316.405	1.185	1	0		DDAFRP
OCC[NH2+][C@@H]1CC(=S)N2C[C@@H]3CCC[N@H+]4CCC[C@H]([C@H]2C1)[C@H]34	ZINC000064559143	184299536	/nfs/dbraw/zinc/29/95/36/184299536.db2.gz	RRUOCYDNXJBJSN-XGYYKPKNSA-N	2	0	323.506	1.233	1	0		DDAFRP
NC(=[NH2+])c1ccc(-c2ccc(-c3ccc(C(N)=[NH2+])nc3)o2)nc1	ZINC000066100416	184389242	/nfs/dbraw/zinc/38/92/42/184389242.db2.gz	WSEZUZSOMAOMKF-UHFFFAOYSA-N	2	0	306.329	1.972	1	0		DDAFRP
CC(C)[C@@H]([NH3+])COc1nc2c(ncn2C(C)C)c(NC(N)=[NH2+])n1	ZINC000095586932	185381606	/nfs/dbraw/zinc/38/16/06/185381606.db2.gz	VRCMJANXTXVIJP-VIFPVBQESA-N	2	0	320.401	1.075	1	0		DDAFRP
CC[NH2+]CCC[NH2+]CCCC[NH2+]CCC[NH2+]CCC(C)C	ZINC000034893610	182741860	/nfs/dbraw/zinc/74/18/60/182741860.db2.gz	HMCOSMNZGTVIJC-UHFFFAOYSA-N	4	0	300.535	1.971	1	0		DDAFRP
O=C1[C@H]2C[N@H+](Cc3ccoc3)C[C@@H]2CN1CC[NH+]1CCCC1	ZINC000299841914	257103581	/nfs/dbraw/zinc/10/35/81/257103581.db2.gz	BMQWVXWNWJYIKP-CVEARBPZSA-N	2	0	303.406	1.266	1	0		DDAFRP
NC(=[NH2+])c1ccc(-c2cncc(-c3ccc(C(N)=[NH2+])cn3)n2)cc1	ZINC000096938471	185392922	/nfs/dbraw/zinc/39/29/22/185392922.db2.gz	ZGTMFGGAZPWIHC-UHFFFAOYSA-N	2	0	317.356	1.774	1	0		DDAFRP
NC(=[NH2+])c1ccc(-c2cncc(-c3ccc(C(N)=[NH2+])cn3)n2)nc1	ZINC000096938477	185393123	/nfs/dbraw/zinc/39/31/23/185393123.db2.gz	DTOBVUKBRPKDPP-UHFFFAOYSA-N	2	0	318.344	1.169	1	0		DDAFRP
CC[C@@H](O)[C@@H]1C=CC[C@@H]2CC(=O)NCCCC[NH2+]CCC[N@@H+]21	ZINC000085531422	560073244	/nfs/dbraw/zinc/07/32/44/560073244.db2.gz	YMALJVLSPODBKM-OWCLPIDISA-N	2	0	309.454	1.036	1	0	biogenic,in-vitro	DDAFRP
NC(=[NH2+])c1ccc(-c2ccc(-c3cnc(C(N)=[NH2+])cn3)cn2)cc1	ZINC000029129731	182553353	/nfs/dbraw/zinc/55/33/53/182553353.db2.gz	DEYXELRSAAKWQI-UHFFFAOYSA-N	2	0	317.356	1.774	1	0		DDAFRP
c1ccc2c(c1)CC[C@@H](C[NH2+]CCCNC1=[NH+]CCCN1)C2	ZINC000026640755	182448243	/nfs/dbraw/zinc/44/82/43/182448243.db2.gz	GQOKECFRMTWTNS-OAHLLOKOSA-N	2	0	300.450	1.710	1	0		DDAFRP
C[N@H+]1C[C@H]2CN(C(=[NH2+])c3nc4cc(F)c(F)cc4[nH]3)C[C@H]2C1	ZINC000073156855	191286095	/nfs/dbraw/zinc/28/60/95/191286095.db2.gz	KPNXFEQRRQVTRX-DTORHVGOSA-N	2	0	305.332	1.660	1	0		DDAFRP
CC(C)Oc1cc(OCC[NH+](C)C)nc(OCC[NH+](C)C)n1	ZINC000040395244	183060983	/nfs/dbraw/zinc/06/09/83/183060983.db2.gz	HPFGBECEMPCCLY-UHFFFAOYSA-N	2	0	312.414	1.145	1	0		DDAFRP
NC(=[NH2+])c1ccc(-c2cc(-c3cc(C(N)=[NH2+])ccn3)no2)cc1	ZINC000103228037	185439425	/nfs/dbraw/zinc/43/94/25/185439425.db2.gz	BQOWCVOPCYHIPI-UHFFFAOYSA-N	2	0	306.329	1.972	1	0		DDAFRP
c1ccc2c(c1)C[C@H](C[NH2+]CCCNC1=[NH+]CCCN1)CO2	ZINC000026579482	182447654	/nfs/dbraw/zinc/44/76/54/182447654.db2.gz	MFIBUSVOFFHBJJ-CQSZACIVSA-N	2	0	302.422	1.156	1	0		DDAFRP
NC(=[NH2+])c1cccc(-c2cc(-c3ccc(C(N)=[NH2+])nc3)no2)c1	ZINC000103226182	185439083	/nfs/dbraw/zinc/43/90/83/185439083.db2.gz	XJWHBEOAOVKHLF-UHFFFAOYSA-N	2	0	306.329	1.972	1	0		DDAFRP