smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COCCN1CC[C@@H](CNC(=[NH2+])N2CCC[C@H](C)C2)C1	ZINC000097001342	424615031	/nfs/dbraw/zinc/61/50/31/424615031.db2.gz	XVQZWAWCDYWMKL-KBPBESRZSA-N	1	3	282.432	1.001	50	30		CDEAHO
C=CCC(=O)NCC1CC[NH+](CC2CCN(C)CC2)CC1	ZINC000067459745	356671886	/nfs/dbraw/zinc/67/18/86/356671886.db2.gz	KZRABMJHQQQOSO-UHFFFAOYSA-N	1	3	293.455	1.733	50	30		CDEAHO
CNC(NC[C@@H]1CCN(Cc2ccccc2)C1)=[NH+]C	ZINC000195165195	393097390	/nfs/dbraw/zinc/09/73/90/393097390.db2.gz	RHTAPFYIMSXFJI-AWEZNQCLSA-N	1	3	260.385	1.303	50	30		CDEAHO
C[NH+](C)C[C@]1(O)CCCN(Cc2cccc(C#N)c2)CC1	ZINC000072130957	176321673	/nfs/dbraw/zinc/32/16/73/176321673.db2.gz	UNGKCZKVMFCEQH-KRWDZBQOSA-N	1	3	287.407	1.837	50	30		CDEAHO
C=CCn1cc(CN2CCC3(C2)CC[NH2+]CC3)cn1	ZINC000067786782	519278332	/nfs/dbraw/zinc/27/83/32/519278332.db2.gz	FDOGPVCQDAFMGK-UHFFFAOYSA-N	1	3	260.385	1.645	50	30		CDEAHO
CN(C)c1ccc(NC2=NC3(CCCC3)NC(=[NH2+])N2)cc1	ZINC000019333127	356481002	/nfs/dbraw/zinc/48/10/02/356481002.db2.gz	UARGFBRILIUEBX-UHFFFAOYSA-N	1	3	286.383	1.728	50	30		CDEAHO
CC(C)N(C(=N)Nc1ccc(Cl)cc1)C(N)=[NH2+]	ZINC000205504076	358661552	/nfs/dbraw/zinc/66/15/52/358661552.db2.gz	VWCXSMWMAWRMPF-UHFFFAOYSA-N	1	3	253.737	1.890	50	30		CDEAHO
C[C@@H]1CN(C)[C@@H](C)CC1=NOC[C@H](O)C[NH2+]C(C)(C)C	ZINC000252589207	368217407	/nfs/dbraw/zinc/21/74/07/368217407.db2.gz	AINOWFGVZXPIDC-FRRDWIJNSA-N	1	3	285.432	1.468	50	30		CDEAHO
C=CC[NH+]1CCC(CNC(=O)[C@H]2CCCCCN2C)CC1	ZINC001506420540	975158092	/nfs/dbraw/zinc/15/80/92/975158092.db2.gz	HZWABSVBTBUBQT-MRXNPFEDSA-N	1	3	293.455	1.875	50	30		CDEAHO
C=CCc1cc(OC)ccc1OCCCNCC[NH3+]	ZINC000020118413	364087642	/nfs/dbraw/zinc/08/76/42/364087642.db2.gz	IZIYYPRNWPNLTA-UHFFFAOYSA-N	1	3	264.369	1.741	50	30		CDEAHO
COCCN1CC[C@@H](C[N@H+](C)Cc2cc(C#N)n(C)c2)C1	ZINC000824412464	925820576	/nfs/dbraw/zinc/82/05/76/925820576.db2.gz	VAOFMADVBNKHOS-AWEZNQCLSA-N	1	3	290.411	1.297	50	30		CDEAHO
COCCN1CC[C@@H](C[N@@H+](C)Cc2cc(C#N)n(C)c2)C1	ZINC000824412464	925820585	/nfs/dbraw/zinc/82/05/85/925820585.db2.gz	VAOFMADVBNKHOS-AWEZNQCLSA-N	1	3	290.411	1.297	50	30		CDEAHO
COCCN1CC[C@H](CNC(=[NH2+])N2CCC[C@H](C)C2)C1	ZINC000097001347	424614693	/nfs/dbraw/zinc/61/46/93/424614693.db2.gz	XVQZWAWCDYWMKL-UONOGXRCSA-N	1	3	282.432	1.001	50	30		CDEAHO
C[C@@H]1CN(C)[C@@H](C)CC1=NOC[C@@H](O)C[NH2+]C(C)(C)C	ZINC000252589206	368217289	/nfs/dbraw/zinc/21/72/89/368217289.db2.gz	AINOWFGVZXPIDC-AGIUHOORSA-N	1	3	285.432	1.468	50	30		CDEAHO
C#CCOc1ccccc1CN1C[C@H]2[C@H](C[NH+](C)C)[C@H]2C1	ZINC000102853080	360792652	/nfs/dbraw/zinc/79/26/52/360792652.db2.gz	RJTQUABXQWLPHE-OSYLJGHBSA-N	1	3	284.403	1.938	50	30		CDEAHO
CCNC(NCC1CCN(c2ccncc2)CC1)=[NH+]CC	ZINC000179712426	362259929	/nfs/dbraw/zinc/25/99/29/362259929.db2.gz	VQWWWAMFCAEAEV-UHFFFAOYSA-N	1	3	289.427	1.873	50	30		CDEAHO
N=C(NC(N)=[NH2+])Nc1ccc(OC(F)(F)F)cc1	ZINC000002574888	355976008	/nfs/dbraw/zinc/97/60/08/355976008.db2.gz	BRGJGAOPCRWLMM-UHFFFAOYSA-N	1	3	261.207	1.014	50	30		CDEAHO
N=C(N)NC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1	ZINC000002574888	355976011	/nfs/dbraw/zinc/97/60/11/355976011.db2.gz	BRGJGAOPCRWLMM-UHFFFAOYSA-N	1	3	261.207	1.014	50	30		CDEAHO
COCCN1CC[C@H](C[N@H+](C)Cc2cc(C#N)n(C)c2)C1	ZINC000824412465	925820191	/nfs/dbraw/zinc/82/01/91/925820191.db2.gz	VAOFMADVBNKHOS-CQSZACIVSA-N	1	3	290.411	1.297	50	30		CDEAHO
COCCN1CC[C@H](C[N@@H+](C)Cc2cc(C#N)n(C)c2)C1	ZINC000824412465	925820199	/nfs/dbraw/zinc/82/01/99/925820199.db2.gz	VAOFMADVBNKHOS-CQSZACIVSA-N	1	3	290.411	1.297	50	30		CDEAHO
COCCN1CC[C@@H](CNC(=[NH2+])N2CCC[C@@H](C)C2)C1	ZINC000097001339	424615009	/nfs/dbraw/zinc/61/50/09/424615009.db2.gz	XVQZWAWCDYWMKL-KGLIPLIRSA-N	1	3	282.432	1.001	50	30		CDEAHO
C[NH+](C)C[C@@]1(O)CCCN(Cc2cccc(C#N)c2)CC1	ZINC000072130958	176321560	/nfs/dbraw/zinc/32/15/60/176321560.db2.gz	UNGKCZKVMFCEQH-QGZVFWFLSA-N	1	3	287.407	1.837	50	30		CDEAHO
COCCN1CC[C@H](CNC(=[NH2+])N2CCC[C@@H](C)C2)C1	ZINC000097001345	424614883	/nfs/dbraw/zinc/61/48/83/424614883.db2.gz	XVQZWAWCDYWMKL-ZIAGYGMSSA-N	1	3	282.432	1.001	50	30		CDEAHO
N=C1NC(Nc2ccccc2)=[NH+]C2(CCCCC2)N1	ZINC000003886786	356011730	/nfs/dbraw/zinc/01/17/30/356011730.db2.gz	STHMLNPMOYGEJM-UHFFFAOYSA-N	1	3	257.341	1.842	50	30		CDEAHO
C=C(C)C[N@@H+](C)C[C@]1(O)CCCN2CCCC[C@@H]21	ZINC000063885053	378328305	/nfs/dbraw/zinc/32/83/05/378328305.db2.gz	VLIQWIIVGGYLNT-HUUCEWRRSA-N	1	3	252.402	1.874	50	30		CDEAHO
C=C(C)C[N@H+](C)C[C@]1(O)CCCN2CCCC[C@@H]21	ZINC000063885053	378328310	/nfs/dbraw/zinc/32/83/10/378328310.db2.gz	VLIQWIIVGGYLNT-HUUCEWRRSA-N	1	3	252.402	1.874	50	30		CDEAHO
C/[NH+]=C(\c1ccccc1)N1CCN(CCN(C)C)CC1	ZINC000025608687	360326176	/nfs/dbraw/zinc/32/61/76/360326176.db2.gz	BXPYMJZRHNDACY-WUKNDPDISA-N	1	3	274.412	1.242	50	30		CDEAHO
C=CCCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1	ZINC000096499742	375106588	/nfs/dbraw/zinc/10/65/88/375106588.db2.gz	RESYWUMMPOMFLF-XYPWUTKMSA-N	1	3	263.429	1.805	50	30		CDEAHO
C=CCCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1	ZINC000096499742	375106595	/nfs/dbraw/zinc/10/65/95/375106595.db2.gz	RESYWUMMPOMFLF-XYPWUTKMSA-N	1	3	263.429	1.805	50	30		CDEAHO
OCC#Cc1ccc(CN2CCC3(C2)CC[NH2+]CC3)s1	ZINC000067895141	527520068	/nfs/dbraw/zinc/52/00/68/527520068.db2.gz	FLSGDEKDTPOHES-UHFFFAOYSA-N	1	3	290.432	1.667	50	30		CDEAHO
CNC(NC[C@H]1CCN(Cc2ccccc2)C1)=[NH+]C	ZINC000195165204	393097784	/nfs/dbraw/zinc/09/77/84/393097784.db2.gz	RHTAPFYIMSXFJI-CQSZACIVSA-N	1	3	260.385	1.303	50	30		CDEAHO
CC(C)C[C@H](CNC(=[NH2+])N(C)C1CC1)N1CCCC1	ZINC000181461614	342517266	/nfs/dbraw/zinc/51/72/66/342517266.db2.gz	XEGRHJKATPTZKG-CQSZACIVSA-N	1	3	266.433	1.906	50	30		CDEAHO
CN(C)N=C(N)c1ccc(-c2c[n+]3ccccc3n2C)cc1	ZINC000017111554	326851940	/nfs/dbraw/zinc/85/19/40/326851940.db2.gz	IYKUKEPYPNVPEZ-UHFFFAOYSA-N	1	3	294.382	1.613	50	30		CDEAHO
C[C@@H]1CN(C)[C@H](C)CC1=NOC[C@H](O)C[NH2+]C(C)(C)C	ZINC000252589208	368218201	/nfs/dbraw/zinc/21/82/01/368218201.db2.gz	AINOWFGVZXPIDC-JHJVBQTASA-N	1	3	285.432	1.468	50	30		CDEAHO
N=C(N)NC(=[NH2+])Nc1ccccc1-c1ccccc1	ZINC000001614481	355941782	/nfs/dbraw/zinc/94/17/82/355941782.db2.gz	ZKDLRPJEMPSOJB-UHFFFAOYSA-N	1	3	253.309	1.783	50	30		CDEAHO
CC(C)NC(=[NH2+])NC(=N)Nc1ccc(Cl)cc1	ZINC000095452610	358693892	/nfs/dbraw/zinc/69/38/92/358693892.db2.gz	SSOLNOMRVKKSON-UHFFFAOYSA-N	1	3	253.737	1.809	50	30	fda	CDEAHO
C=CC[NH+]1CCC(CNC(=O)[C@@H]2CCCCCN2C)CC1	ZINC001506420539	975158103	/nfs/dbraw/zinc/15/81/03/975158103.db2.gz	HZWABSVBTBUBQT-INIZCTEOSA-N	1	3	293.455	1.875	50	30		CDEAHO
CC(C)C[C@@H](CNC(=[NH2+])N(C)C1CC1)N1CCCC1	ZINC000181461595	342517256	/nfs/dbraw/zinc/51/72/56/342517256.db2.gz	XEGRHJKATPTZKG-AWEZNQCLSA-N	1	3	266.433	1.906	50	30		CDEAHO
CC#CCCN1CCC[N@@H+](C2CCN(CC)CC2)CC1	ZINC000420972478	367275244	/nfs/dbraw/zinc/27/52/44/367275244.db2.gz	AZWQKUXPBWGLQP-UHFFFAOYSA-N	1	3	277.456	1.892	50	30		CDEAHO
CC#CCCN1CCC[N@H+](C2CCN(CC)CC2)CC1	ZINC000420972478	367275246	/nfs/dbraw/zinc/27/52/46/367275246.db2.gz	AZWQKUXPBWGLQP-UHFFFAOYSA-N	1	3	277.456	1.892	50	30		CDEAHO
C[C@@H]1CN(C)[C@H](C)CC1=NOC[C@@H](O)C[NH2+]C(C)(C)C	ZINC000252589209	368217924	/nfs/dbraw/zinc/21/79/24/368217924.db2.gz	AINOWFGVZXPIDC-UPJWGTAASA-N	1	3	285.432	1.468	50	30		CDEAHO