smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CO[C@H]1CC[N@H+](C/C=C/c2ccccc2)[C@H](C[NH3+])C1	ZINC000161193560	367066476	/nfs/dbraw/zinc/06/64/76/367066476.db2.gz	OWOYTALPZMJLQO-TWZSPHTKSA-N	2	2	260.381	2.138	10	70		CEIELP
CO[C@H]1CC[N@@H+](C/C=C/c2ccccc2)[C@H](C[NH3+])C1	ZINC000161193560	367066484	/nfs/dbraw/zinc/06/64/84/367066484.db2.gz	OWOYTALPZMJLQO-TWZSPHTKSA-N	2	2	260.381	2.138	10	70		CEIELP
CCCC(=O)N[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1	ZINC000160817009	527953728	/nfs/dbraw/zinc/95/37/28/527953728.db2.gz	FSGZPZYTTPXRQQ-INIZCTEOSA-N	2	2	295.471	2.243	10	70		CEIELP
CCCC(=O)N[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1	ZINC000160817009	527953731	/nfs/dbraw/zinc/95/37/31/527953731.db2.gz	FSGZPZYTTPXRQQ-INIZCTEOSA-N	2	2	295.471	2.243	10	70		CEIELP
CC[N@@H+]1CCC[C@H]1CN(C)Cc1c[nH+]c2ccccn12	ZINC000160933676	521653263	/nfs/dbraw/zinc/65/32/63/521653263.db2.gz	NOKBTUWGTBDDQZ-AWEZNQCLSA-N	2	2	272.396	2.250	10	70		CEIELP
CC[N@H+]1CCC[C@H]1CN(C)Cc1c[nH+]c2ccccn12	ZINC000160933676	521653265	/nfs/dbraw/zinc/65/32/65/521653265.db2.gz	NOKBTUWGTBDDQZ-AWEZNQCLSA-N	2	2	272.396	2.250	10	70		CEIELP
Cn1cc([C@H]2CCC[N@@H+]2CCC[NH+]2CCCCC2)cn1	ZINC000161331103	527318474	/nfs/dbraw/zinc/31/84/74/527318474.db2.gz	LINUXKPEUQTYOV-MRXNPFEDSA-N	2	2	276.428	2.433	10	70		CEIELP
Cn1cc([C@H]2CCC[N@H+]2CCC[NH+]2CCCCC2)cn1	ZINC000161331103	527318479	/nfs/dbraw/zinc/31/84/79/527318479.db2.gz	LINUXKPEUQTYOV-MRXNPFEDSA-N	2	2	276.428	2.433	10	70		CEIELP
CCCOC(=O)[C@@H](C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1	ZINC000160085001	366971495	/nfs/dbraw/zinc/97/14/95/366971495.db2.gz	GTBCZQIKTXGJCO-ZIAGYGMSSA-N	2	2	291.395	2.157	10	70		CEIELP
CCCOC(=O)[C@@H](C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1	ZINC000160085001	366971500	/nfs/dbraw/zinc/97/15/00/366971500.db2.gz	GTBCZQIKTXGJCO-ZIAGYGMSSA-N	2	2	291.395	2.157	10	70		CEIELP
c1cc(C2CC[NH+](CCC[NH+]3CCCCC3)CC2)[nH]n1	ZINC000161312296	526419705	/nfs/dbraw/zinc/41/97/05/526419705.db2.gz	UOJITXMFWROALN-UHFFFAOYSA-N	2	2	276.428	2.465	10	70		CEIELP
CCCC(=O)N[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1	ZINC000160816854	527944828	/nfs/dbraw/zinc/94/48/28/527944828.db2.gz	FSGZPZYTTPXRQQ-MRXNPFEDSA-N	2	2	295.471	2.243	10	70		CEIELP
CCCC(=O)N[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1	ZINC000160816854	527944834	/nfs/dbraw/zinc/94/48/34/527944834.db2.gz	FSGZPZYTTPXRQQ-MRXNPFEDSA-N	2	2	295.471	2.243	10	70		CEIELP
C[NH2+]CC[NH2+]Cc1cc(C)c(Br)s1	ZINC000161277111	367074223	/nfs/dbraw/zinc/07/42/23/367074223.db2.gz	DWZFEAAGQLVBKU-UHFFFAOYSA-N	2	2	263.204	2.128	10	70		CEIELP
c1[nH+]c2ccccn2c1CN1CC[N@@H+]2CCCC[C@@H]2C1	ZINC000160534772	526610369	/nfs/dbraw/zinc/61/03/69/526610369.db2.gz	OMNMEZNTHIVAOZ-CQSZACIVSA-N	2	2	270.380	2.004	10	70		CEIELP
c1[nH+]c2ccccn2c1CN1CC[N@H+]2CCCC[C@@H]2C1	ZINC000160534772	526610372	/nfs/dbraw/zinc/61/03/72/526610372.db2.gz	OMNMEZNTHIVAOZ-CQSZACIVSA-N	2	2	270.380	2.004	10	70		CEIELP
C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1c[nH+]c2ccccn12	ZINC000160404989	525084995	/nfs/dbraw/zinc/08/49/95/525084995.db2.gz	VDJRZHAWDWNGIQ-ZIAGYGMSSA-N	2	2	270.380	2.003	10	70		CEIELP
C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1c[nH+]c2ccccn12	ZINC000160404989	525085001	/nfs/dbraw/zinc/08/50/01/525085001.db2.gz	VDJRZHAWDWNGIQ-ZIAGYGMSSA-N	2	2	270.380	2.003	10	70		CEIELP
Cn1cc([C@@H]2CCC[N@@H+]2CCC[NH+]2CCCCC2)cn1	ZINC000161330989	527297383	/nfs/dbraw/zinc/29/73/83/527297383.db2.gz	LINUXKPEUQTYOV-INIZCTEOSA-N	2	2	276.428	2.433	10	70		CEIELP
Cn1cc([C@@H]2CCC[N@H+]2CCC[NH+]2CCCCC2)cn1	ZINC000161330989	527297390	/nfs/dbraw/zinc/29/73/90/527297390.db2.gz	LINUXKPEUQTYOV-INIZCTEOSA-N	2	2	276.428	2.433	10	70		CEIELP
c1ccc(NC[C@H]2CC[N@H+](CCOCC3CC3)C2)[nH+]c1	ZINC000160082199	162322823	/nfs/dbraw/zinc/32/28/23/162322823.db2.gz	KWNHLQDMAZWPKH-OAHLLOKOSA-N	2	2	275.396	2.242	10	70		CEIELP
CC[N@@H+]1CCC[C@@H]1CN(C)Cc1c[nH+]c2ccccn12	ZINC000160933534	521630947	/nfs/dbraw/zinc/63/09/47/521630947.db2.gz	NOKBTUWGTBDDQZ-CQSZACIVSA-N	2	2	272.396	2.250	10	70		CEIELP
CC[N@H+]1CCC[C@@H]1CN(C)Cc1c[nH+]c2ccccn12	ZINC000160933534	521630951	/nfs/dbraw/zinc/63/09/51/521630951.db2.gz	NOKBTUWGTBDDQZ-CQSZACIVSA-N	2	2	272.396	2.250	10	70		CEIELP
O[C@H](C[C@H]1CCC[N@@H+]1CCn1cc[nH+]c1)c1ccccc1	ZINC000159861290	366954909	/nfs/dbraw/zinc/95/49/09/366954909.db2.gz	HJTRRVUUTGCMLI-IAGOWNOFSA-N	2	2	285.391	2.471	10	70		CEIELP
O[C@H](C[C@H]1CCC[N@H+]1CCn1cc[nH+]c1)c1ccccc1	ZINC000159861290	366954914	/nfs/dbraw/zinc/95/49/14/366954914.db2.gz	HJTRRVUUTGCMLI-IAGOWNOFSA-N	2	2	285.391	2.471	10	70		CEIELP
c1ccc(NC[C@@H]2CC[N@H+](CCOCC3CC3)C2)[nH+]c1	ZINC000160082105	162322543	/nfs/dbraw/zinc/32/25/43/162322543.db2.gz	KWNHLQDMAZWPKH-HNNXBMFYSA-N	2	2	275.396	2.242	10	70		CEIELP
O[C@@H](C[C@H]1CCC[N@@H+]1CCn1cc[nH+]c1)c1ccccc1	ZINC000159861440	366954432	/nfs/dbraw/zinc/95/44/32/366954432.db2.gz	HJTRRVUUTGCMLI-SJORKVTESA-N	2	2	285.391	2.471	10	70		CEIELP
O[C@@H](C[C@H]1CCC[N@H+]1CCn1cc[nH+]c1)c1ccccc1	ZINC000159861440	366954437	/nfs/dbraw/zinc/95/44/37/366954437.db2.gz	HJTRRVUUTGCMLI-SJORKVTESA-N	2	2	285.391	2.471	10	70		CEIELP
O[C@@H](C[C@@H]1CCC[N@@H+]1CCn1cc[nH+]c1)c1ccccc1	ZINC000159861142	366955125	/nfs/dbraw/zinc/95/51/25/366955125.db2.gz	HJTRRVUUTGCMLI-IRXDYDNUSA-N	2	2	285.391	2.471	10	70		CEIELP
O[C@@H](C[C@@H]1CCC[N@H+]1CCn1cc[nH+]c1)c1ccccc1	ZINC000159861142	366955129	/nfs/dbraw/zinc/95/51/29/366955129.db2.gz	HJTRRVUUTGCMLI-IRXDYDNUSA-N	2	2	285.391	2.471	10	70		CEIELP
CCCOC(=O)[C@H](C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1	ZINC000160085119	366971906	/nfs/dbraw/zinc/97/19/06/366971906.db2.gz	GTBCZQIKTXGJCO-UONOGXRCSA-N	2	2	291.395	2.157	10	70		CEIELP
CCCOC(=O)[C@H](C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1	ZINC000160085119	366971909	/nfs/dbraw/zinc/97/19/09/366971909.db2.gz	GTBCZQIKTXGJCO-UONOGXRCSA-N	2	2	291.395	2.157	10	70		CEIELP
C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1c[nH+]c2ccccn12	ZINC000160405119	524689006	/nfs/dbraw/zinc/68/90/06/524689006.db2.gz	VDJRZHAWDWNGIQ-UONOGXRCSA-N	2	2	270.380	2.003	10	70		CEIELP
C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1c[nH+]c2ccccn12	ZINC000160405119	524689013	/nfs/dbraw/zinc/68/90/13/524689013.db2.gz	VDJRZHAWDWNGIQ-UONOGXRCSA-N	2	2	270.380	2.003	10	70		CEIELP
O[C@H](C[C@@H]1CCC[N@@H+]1CCn1cc[nH+]c1)c1ccccc1	ZINC000159861007	366954668	/nfs/dbraw/zinc/95/46/68/366954668.db2.gz	HJTRRVUUTGCMLI-DLBZAZTESA-N	2	2	285.391	2.471	10	70		CEIELP
O[C@H](C[C@@H]1CCC[N@H+]1CCn1cc[nH+]c1)c1ccccc1	ZINC000159861007	366954676	/nfs/dbraw/zinc/95/46/76/366954676.db2.gz	HJTRRVUUTGCMLI-DLBZAZTESA-N	2	2	285.391	2.471	10	70		CEIELP