smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(CC[NH+](C)C)[C@H]1[C@@H](C[NH2+]C2CCCCC2)O[C@@H](CO)[C@H]1O	ZINC000020464992	212135164	/nfs/dbraw/zinc/13/51/64/212135164.db2.gz	DECHHGFZWZPRNZ-LTIDMASMSA-N	2	0	329.485	-0.109	40	0	biogenic,in-vitro	EBABRP
CN(C)C(=O)CN1CCC[N@H+](C)CCN(C)CCC[NH+](C)CC1	ZINC000068605151	376263526	/nfs/dbraw/zinc/26/35/26/376263526.db2.gz	IDEOXDKOWVONCD-UHFFFAOYSA-N	2	0	327.517	-0.034	40	0		EBABRP
CC(=O)NC1CC[NH+](C[C@]2(O)CCCN(C(=O)CC[NH3+])CC2)CC1	ZINC000257296647	379197209	/nfs/dbraw/zinc/19/72/09/379197209.db2.gz	RDTFEYIMFGDNLH-KRWDZBQOSA-N	2	0	340.468	-0.321	40	0		EBABRP
[NH3+]CCCC[C@H]([NH3+])C(=O)N1C[C@H](O)[C@H](Cc2cn3ccnc3cn2)C1	ZINC000257287563	379196239	/nfs/dbraw/zinc/19/62/39/379196239.db2.gz	PQMBULLDTOMXPA-SNPRPXQTSA-N	2	0	346.435	-0.453	40	0		EBABRP
[NH3+]CCCC[C@H]([NH3+])C(=O)NC[C@@H]1OCC(=O)N[C@@H]1c1ccccc1	ZINC000585286346	376522656	/nfs/dbraw/zinc/52/26/56/376522656.db2.gz	WOHSHWWCRIWXNX-OFQRWUPVSA-N	2	0	334.420	-0.185	40	0		EBABRP
C[C@@H]1CN(Cc2nnc(CN3C[C@@H](C)[NH2+][C@@H](C)C3)n2N)C[C@@H](C)[NH2+]1	ZINC000225149128	378550642	/nfs/dbraw/zinc/55/06/42/378550642.db2.gz	NZTYTJIKYXQADU-SYQHCUMBSA-N	2	0	336.488	-0.644	40	0		EBABRP
C[C@@H]1CN(Cc2nnc(CN3C[C@H](C)[NH2+][C@@H](C)C3)n2N)C[C@H](C)[NH2+]1	ZINC000225149235	378551147	/nfs/dbraw/zinc/55/11/47/378551147.db2.gz	NZTYTJIKYXQADU-XDQVBPFNSA-N	2	0	336.488	-0.644	40	0		EBABRP
C[C@@H]1CN(Cc2nnc(CN3C[C@H](C)[NH2+][C@@H](C)C3)n2N)C[C@@H](C)[NH2+]1	ZINC000225149201	241803574	/nfs/dbraw/zinc/80/35/74/241803574.db2.gz	NZTYTJIKYXQADU-KJGYPYNMSA-N	2	0	336.488	-0.644	40	0		EBABRP
CNC(=O)[C@@H]1CN(C(=O)CN2CC[NH+](C(C)C)CC2)CC[N@H+](C)C1	ZINC000257204474	536398592	/nfs/dbraw/zinc/39/85/92/536398592.db2.gz	AUTQCBZIHWWEAC-HNNXBMFYSA-N	2	0	339.484	-0.851	40	0		EBABRP
CN1c2ccccc2[C@@]2(NC(=[NH2+])NC(N3CCN(C)CC3)=[NH+]2)C1=O	ZINC000019330879	419200100	/nfs/dbraw/zinc/20/01/00/419200100.db2.gz	OPMOVIMJCINRAP-INIZCTEOSA-N	2	0	327.392	-0.663	40	0		EBABRP
C[N@H+](CC1CCN(C(=O)C(C)(C)[NH3+])CC1)[C@@H]1COC[C@@H](O)[C@H]1O	ZINC000585288076	376524340	/nfs/dbraw/zinc/52/43/40/376524340.db2.gz	OXWRKNZRELHYGN-MCIONIFRSA-N	2	0	329.441	-0.985	40	0		EBABRP
Cn1cncc1C[NH+]1CCC(C[N@H+](C)[C@@H]2COC[C@@H](O)[C@H]2O)CC1	ZINC000585291161	376524151	/nfs/dbraw/zinc/52/41/51/376524151.db2.gz	MBAVKVFZSYHBLU-ZACQAIPSSA-N	2	0	338.452	-0.316	40	0		EBABRP
[NH3+]CCCC[C@H]([NH3+])C(=O)N1C[C@@H](O)[C@@H](Cc2cn3ccnc3cn2)C1	ZINC000257287561	379195455	/nfs/dbraw/zinc/19/54/55/379195455.db2.gz	PQMBULLDTOMXPA-AEGPPILISA-N	2	0	346.435	-0.453	40	0		EBABRP
CC1CC[NH+]([C@H]2[C@@H](CNC3CC[NH+](C)CC3)O[C@@H](CO)[C@H]2O)CC1	ZINC000020466024	212135064	/nfs/dbraw/zinc/13/50/64/212135064.db2.gz	HPLOXQRGGRGMDB-VSZNYVQBSA-N	2	0	341.496	-0.109	40	0	biogenic,in-vitro	EBABRP
[NH3+]CCCC[C@@H]([NH3+])C(=O)N1C[C@@H](O)[C@@H](Cc2cn3ccnc3cn2)C1	ZINC000257287562	379194961	/nfs/dbraw/zinc/19/49/61/379194961.db2.gz	PQMBULLDTOMXPA-NWANDNLSSA-N	2	0	346.435	-0.453	40	0		EBABRP
CNC(=O)[C@H]1CN(C(=O)CN2CC[NH+](C(C)C)CC2)CC[N@H+](C)C1	ZINC000257204475	244131160	/nfs/dbraw/zinc/13/11/60/244131160.db2.gz	AUTQCBZIHWWEAC-OAHLLOKOSA-N	2	0	339.484	-0.851	40	0		EBABRP
Cn1cc(C[NH+]2CCC(C[N@H+](C)[C@@H]3COC[C@@H](O)[C@H]3O)CC2)cn1	ZINC000585290993	376525153	/nfs/dbraw/zinc/52/51/53/376525153.db2.gz	KAFJTBWAMRQSNI-ZACQAIPSSA-N	2	0	338.452	-0.316	40	0		EBABRP
C[C@@H]1CN(Cc2nnc(CN3C[C@@H](C)[NH2+][C@@H](C)C3)n2N)C[C@H](C)[NH2+]1	ZINC000225149165	241803020	/nfs/dbraw/zinc/80/30/20/241803020.db2.gz	NZTYTJIKYXQADU-KPWCQOOUSA-N	2	0	336.488	-0.644	40	0		EBABRP
CC(=O)NC1CC[NH+](C[C@@]2(O)CCCN(C(=O)CC[NH3+])CC2)CC1	ZINC000257296648	379198609	/nfs/dbraw/zinc/19/86/09/379198609.db2.gz	RDTFEYIMFGDNLH-QGZVFWFLSA-N	2	0	340.468	-0.321	40	0		EBABRP
C[N@H+](CCC(=O)N1CC[NH+](C)C[C@H](C(N)=O)C1)Cc1ccccn1	ZINC000257329957	419303894	/nfs/dbraw/zinc/30/38/94/419303894.db2.gz	XMEYBDZLKZQOMP-AWEZNQCLSA-N	2	0	333.436	-0.221	40	0		EBABRP
C[NH+]1CCN(CCNc2cc(C3CC3)[nH+]c(NCCCO)n2)CC1	ZINC000328989713	419504813	/nfs/dbraw/zinc/50/48/13/419504813.db2.gz	ILTQJVJUDDUSIB-UHFFFAOYSA-N	2	0	334.468	-0.349	40	0		EBABRP
COCC(=O)NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2CN(C)CC[NH+](C)C	ZINC000022926899	292180581	/nfs/dbraw/zinc/18/05/81/292180581.db2.gz	ZZBTUEGILXPFFI-HRCADAONSA-N	2	0	326.485	-0.047	40	0	biogenic,in-vitro	EBABRP
C[N@H+](CCC(=O)N1CC[NH+](C)C[C@@H](C(N)=O)C1)Cc1ccccn1	ZINC000257329958	419303964	/nfs/dbraw/zinc/30/39/64/419303964.db2.gz	XMEYBDZLKZQOMP-CQSZACIVSA-N	2	0	333.436	-0.221	40	0		EBABRP
[NH3+]CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1OCC(=O)N[C@@H]1c1ccccc1	ZINC000585286337	376521169	/nfs/dbraw/zinc/52/11/69/376521169.db2.gz	WOHSHWWCRIWXNX-IJEWVQPXSA-N	2	0	334.420	-0.185	40	0		EBABRP
CN1c2ccccc2[C@]2(NC(=[NH2+])NC(N3CCN(C)CC3)=[NH+]2)C1=O	ZINC000019330875	277219108	/nfs/dbraw/zinc/21/91/08/277219108.db2.gz	OPMOVIMJCINRAP-MRXNPFEDSA-N	2	0	327.392	-0.663	40	0		EBABRP
CN1CCC[N@H+](CCC[NH3+])CCN(CCC[NH3+])CCC[NH+](C)CC1	ZINC000068605094	215320980	/nfs/dbraw/zinc/32/09/80/215320980.db2.gz	HNULCWUEHHFBJE-UHFFFAOYSA-N	4	0	342.576	-0.055	40	0		EBABRP
C[NH2+][C@@H]1C[C@@H](O)[C@](O)(C[NH+]2CCN(c3ccccc3)CC2)[C@@H](O)C1	ZINC000257288051	379195212	/nfs/dbraw/zinc/19/52/12/379195212.db2.gz	PSPDYDKWPLNSTJ-QOQWGRSLSA-N	2	0	335.448	-0.357	40	0		EBABRP
C[C@@H](CO)Nc1nc(NCCN2CC[NH+](C)CC2)cc(C2CC2)[nH+]1	ZINC000328989630	419507583	/nfs/dbraw/zinc/50/75/83/419507583.db2.gz	IKQHNLQUGKCLLR-ZDUSSCGKSA-N	2	0	334.468	-0.350	40	0		EBABRP
C[NH+](C)CCNc1nc(NCCN2CC[NH+](C)CC2)cc(C2CC2)n1	ZINC000328967214	419508123	/nfs/dbraw/zinc/50/81/23/419508123.db2.gz	CRCCJKYXWITHLE-UHFFFAOYSA-N	2	0	347.511	-0.169	40	0		EBABRP
NS(=O)(=O)c1ccc(NC(=O)C[NH2+]CCCN2C=[NH+]CC2)cc1	ZINC000036646449	213106931	/nfs/dbraw/zinc/10/69/31/213106931.db2.gz	YFGKFYTWPAMCNB-UHFFFAOYSA-N	2	0	339.421	-0.404	40	0		EBABRP
CNC(=O)C1([N@@H+]2CCC[C@H]2C(=O)N(C)CC[NH+](C)C)CCOCC1	ZINC000096113125	290353344	/nfs/dbraw/zinc/35/33/44/290353344.db2.gz	HPBBSRYHHVJBMR-AWEZNQCLSA-N	2	0	340.468	-0.234	40	0	biogenic,in-vitro	EBABRP
C[C@H](CO)Nc1nc(NCCN2CC[NH+](C)CC2)cc(C2CC2)[nH+]1	ZINC000328989629	419505369	/nfs/dbraw/zinc/50/53/69/419505369.db2.gz	IKQHNLQUGKCLLR-CYBMUJFWSA-N	2	0	334.468	-0.350	40	0		EBABRP
C[NH+]1CCC(NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2[NH+]2CCCCC2)CC1	ZINC000020465724	212134713	/nfs/dbraw/zinc/13/47/13/212134713.db2.gz	OFDBWLLAPGEVQY-LTIDMASMSA-N	2	0	327.469	-0.355	40	0	biogenic,in-vitro	EBABRP
CC(C)NC(=O)C[C@@H]1C[C@H]2O[C@H](C[NH2+]C3CC[NH2+]CC3)[C@@H](O)[C@H]2O1	ZINC000225513361	420934473	/nfs/dbraw/zinc/93/44/73/420934473.db2.gz	JJSJRQDQWBUUQF-SZVRAQGESA-N	2	0	341.452	-0.472	40	0	biogenic,in-vitro	EBABRP