smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)CCN1CCN(c2cc[nH+]cc2)CC1	ZINC000161285971	538915299	/nfs/dbraw/zinc/91/52/99/538915299.db2.gz	XUPYYWVRJTXPFE-UHFFFAOYSA-N	1	3	233.359	2.250	20	70		BEIDHO
C[C@H](Cc1ccc(C(F)(F)F)cc1)NCC[NH3+]	ZINC000218191247	350085850	/nfs/dbraw/zinc/08/58/50/350085850.db2.gz	BYBPKBHEGSDMQW-SECBINFHSA-N	1	3	246.276	2.185	20	70		BEIDHO
CN[C@@H]1CC[N@H+](C[C@@H]2CCCC[C@@H]2C)C1	ZINC000218450617	350094280	/nfs/dbraw/zinc/09/42/80/350094280.db2.gz	YNWOKELNNHMNAQ-RWMBFGLXSA-N	1	3	210.365	2.106	20	70		BEIDHO
CN[C@@H]1CC[N@@H+](C[C@@H]2CCCC[C@@H]2C)C1	ZINC000218450617	350094282	/nfs/dbraw/zinc/09/42/82/350094282.db2.gz	YNWOKELNNHMNAQ-RWMBFGLXSA-N	1	3	210.365	2.106	20	70		BEIDHO
[NH3+]CC1CCN(C/C=C\c2ccccc2)CC1	ZINC000217483553	357907247	/nfs/dbraw/zinc/90/72/47/357907247.db2.gz	YTPVVJXNAPIVTL-DAXSKMNVSA-N	1	3	230.355	2.371	20	70		BEIDHO
C[C@@H]([NH3+])CN[C@@H](C)Cc1ccc(Cl)cc1	ZINC000218296412	411773409	/nfs/dbraw/zinc/77/34/09/411773409.db2.gz	ABVMWXJPTFRJHL-ZJUUUORDSA-N	1	3	226.751	2.208	20	70		BEIDHO
C[C@H](N)CC[NH2+]C1C2CC3CC(C2)CC1C3	ZINC000216841178	345744149	/nfs/dbraw/zinc/74/41/49/345744149.db2.gz	ILOLNDOSDJIRSM-FTPDJBBVSA-N	1	3	222.376	2.138	20	70		BEIDHO
CSCC[N@H+](C)CCCN1CCCCC1	ZINC000161415250	349441947	/nfs/dbraw/zinc/44/19/47/349441947.db2.gz	QDCQBMOVBQOPLO-UHFFFAOYSA-N	1	3	230.421	2.157	20	70		BEIDHO
CSCC[N@@H+](C)CCCN1CCCCC1	ZINC000161415250	349441951	/nfs/dbraw/zinc/44/19/51/349441951.db2.gz	QDCQBMOVBQOPLO-UHFFFAOYSA-N	1	3	230.421	2.157	20	70		BEIDHO
C[C@@H](Cc1ccc(C(F)(F)F)cc1)NCC[NH3+]	ZINC000218191167	350085945	/nfs/dbraw/zinc/08/59/45/350085945.db2.gz	BYBPKBHEGSDMQW-VIFPVBQESA-N	1	3	246.276	2.185	20	70		BEIDHO
C[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@@H](CN)C1	ZINC000218452743	592156259	/nfs/dbraw/zinc/15/62/59/592156259.db2.gz	MUDOHBMQSDVBSE-FRRDWIJNSA-N	1	3	210.365	2.093	20	70		BEIDHO
C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@@H](CN)C1	ZINC000218452743	592156261	/nfs/dbraw/zinc/15/62/61/592156261.db2.gz	MUDOHBMQSDVBSE-FRRDWIJNSA-N	1	3	210.365	2.093	20	70		BEIDHO
CCSCCNCCC[NH+](CC)CC	ZINC000159730012	411307716	/nfs/dbraw/zinc/30/77/16/411307716.db2.gz	UWFPFCIWRRTYJR-UHFFFAOYSA-N	1	3	218.410	2.061	20	70		BEIDHO
CCSCC[NH2+]CCCN(CC)CC	ZINC000159730012	411307718	/nfs/dbraw/zinc/30/77/18/411307718.db2.gz	UWFPFCIWRRTYJR-UHFFFAOYSA-N	1	3	218.410	2.061	20	70		BEIDHO
COC[C@@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)C(C)C	ZINC000161105205	349375255	/nfs/dbraw/zinc/37/52/55/349375255.db2.gz	GAFVXZXCPXCIJJ-HZSPNIEDSA-N	1	3	242.407	2.120	20	70		BEIDHO
COC[C@@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)C(C)C	ZINC000161105205	349375256	/nfs/dbraw/zinc/37/52/56/349375256.db2.gz	GAFVXZXCPXCIJJ-HZSPNIEDSA-N	1	3	242.407	2.120	20	70		BEIDHO
C[C@H]1CCCN1CCC[NH+]1CCCCC1	ZINC000161333693	384971284	/nfs/dbraw/zinc/97/12/84/384971284.db2.gz	NOPMVSKXKJMOER-ZDUSSCGKSA-N	1	3	210.365	2.347	20	70		BEIDHO
CC(C)(C)NCC[NH2+]CCc1cccs1	ZINC000161441422	386031736	/nfs/dbraw/zinc/03/17/36/386031736.db2.gz	NRWHUKXWLULGEX-UHFFFAOYSA-N	1	3	226.389	2.268	20	70		BEIDHO
C[C@H](Cc1ccccc1C(F)(F)F)NCC[NH3+]	ZINC000218191427	345745196	/nfs/dbraw/zinc/74/51/96/345745196.db2.gz	RPSZDDIOBRXYMF-SECBINFHSA-N	1	3	246.276	2.185	20	70		BEIDHO
CN(CCC[NH+]1CCCCC1)CC1CC1	ZINC000160621351	384422100	/nfs/dbraw/zinc/42/21/00/384422100.db2.gz	VTZJPFBTDGZQLX-UHFFFAOYSA-N	1	3	210.365	2.204	20	70		BEIDHO
C[C@@H](Cc1ccccc1C(F)(F)F)NCC[NH3+]	ZINC000218191352	345745176	/nfs/dbraw/zinc/74/51/76/345745176.db2.gz	RPSZDDIOBRXYMF-VIFPVBQESA-N	1	3	246.276	2.185	20	70		BEIDHO
CN(CCC[NH+]1CCCCC1)C1CCC1	ZINC000161270245	384481168	/nfs/dbraw/zinc/48/11/68/384481168.db2.gz	BRGIJBOIEQUUPK-UHFFFAOYSA-N	1	3	210.365	2.347	20	70		BEIDHO
C[C@H]([NH3+])CN[C@@H](C)Cc1ccc(Cl)cc1	ZINC000218296515	411773846	/nfs/dbraw/zinc/77/38/46/411773846.db2.gz	ABVMWXJPTFRJHL-UWVGGRQHSA-N	1	3	226.751	2.208	20	70		BEIDHO
C([NH2+][C@H]1CCNC1)C12CC3CC(CC(C3)C1)C2	ZINC000217176665	592100646	/nfs/dbraw/zinc/10/06/46/592100646.db2.gz	SYPIUXURCSOBRF-IHXHZNKUSA-N	1	3	234.387	2.154	20	70		BEIDHO
C[C@H](Cc1ccc(Cl)cc1)NC[C@H](C)[NH3+]	ZINC000218296550	411772953	/nfs/dbraw/zinc/77/29/53/411772953.db2.gz	ABVMWXJPTFRJHL-VHSXEESVSA-N	1	3	226.751	2.208	20	70		BEIDHO
CCCCN1CCN(c2cc[nH+]cc2)CC1	ZINC000161285574	538915263	/nfs/dbraw/zinc/91/52/63/538915263.db2.gz	VXXWDAXACRJZSL-UHFFFAOYSA-N	1	3	219.332	2.004	20	70		BEIDHO
CCCCCN1CCN(c2cc[nH+]cc2)CC1	ZINC000161285687	538915267	/nfs/dbraw/zinc/91/52/67/538915267.db2.gz	JDVDDEMPNQVWQN-UHFFFAOYSA-N	1	3	233.359	2.394	20	70		BEIDHO
C[C@@H]1CCCC[C@H]1C[N@@H+]1CC[C@@H](CN)C1	ZINC000218452901	136270221	/nfs/dbraw/zinc/27/02/21/136270221.db2.gz	MUDOHBMQSDVBSE-AGIUHOORSA-N	1	3	210.365	2.093	20	70		BEIDHO
C[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@@H](CN)C1	ZINC000218452901	136270222	/nfs/dbraw/zinc/27/02/22/136270222.db2.gz	MUDOHBMQSDVBSE-AGIUHOORSA-N	1	3	210.365	2.093	20	70		BEIDHO
COC[C@@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)C(C)C	ZINC000161105449	349374990	/nfs/dbraw/zinc/37/49/90/349374990.db2.gz	GAFVXZXCPXCIJJ-MELADBBJSA-N	1	3	242.407	2.120	20	70		BEIDHO
COC[C@@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)C(C)C	ZINC000161105449	349374993	/nfs/dbraw/zinc/37/49/93/349374993.db2.gz	GAFVXZXCPXCIJJ-MELADBBJSA-N	1	3	242.407	2.120	20	70		BEIDHO
COC[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)C(C)C	ZINC000161105571	349375062	/nfs/dbraw/zinc/37/50/62/349375062.db2.gz	GAFVXZXCPXCIJJ-IHRRRGAJSA-N	1	3	242.407	2.120	20	70		BEIDHO
COC[C@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)C(C)C	ZINC000161105571	349375064	/nfs/dbraw/zinc/37/50/64/349375064.db2.gz	GAFVXZXCPXCIJJ-IHRRRGAJSA-N	1	3	242.407	2.120	20	70		BEIDHO
C[C@@H](NCCCC[NH+](C)C)c1cscn1	ZINC000161177600	384883710	/nfs/dbraw/zinc/88/37/10/384883710.db2.gz	QKWWHFFKQZLTPH-SNVBAGLBSA-N	1	3	227.377	2.136	20	70		BEIDHO
C[C@@H]([NH3+])CN[C@H](C)Cc1ccc(Cl)cc1	ZINC000218296449	411773489	/nfs/dbraw/zinc/77/34/89/411773489.db2.gz	ABVMWXJPTFRJHL-NXEZZACHSA-N	1	3	226.751	2.208	20	70		BEIDHO
CCC[NH2+]CCNCC1CCC(C)CC1	ZINC000161342244	169259626	/nfs/dbraw/zinc/25/96/26/169259626.db2.gz	YNDNZAPGGADCSB-UHFFFAOYSA-N	1	3	212.381	2.402	20	70		BEIDHO
C[C@@H]1CCCN1CCC[NH+]1CCCCC1	ZINC000161333563	384968024	/nfs/dbraw/zinc/96/80/24/384968024.db2.gz	NOPMVSKXKJMOER-CYBMUJFWSA-N	1	3	210.365	2.347	20	70		BEIDHO
COC[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)C(C)C	ZINC000161105320	349375187	/nfs/dbraw/zinc/37/51/87/349375187.db2.gz	GAFVXZXCPXCIJJ-RDBSUJKOSA-N	1	3	242.407	2.120	20	70		BEIDHO
COC[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)C(C)C	ZINC000161105320	349375188	/nfs/dbraw/zinc/37/51/88/349375188.db2.gz	GAFVXZXCPXCIJJ-RDBSUJKOSA-N	1	3	242.407	2.120	20	70		BEIDHO
C[C@H](NCCCC[NH+](C)C)c1cscn1	ZINC000161177485	384883591	/nfs/dbraw/zinc/88/35/91/384883591.db2.gz	QKWWHFFKQZLTPH-JTQLQIEISA-N	1	3	227.377	2.136	20	70		BEIDHO
C([NH2+][C@@H]1CCNC1)C12CC3CC(CC(C3)C1)C2	ZINC000217176657	582822162	/nfs/dbraw/zinc/82/21/62/582822162.db2.gz	SYPIUXURCSOBRF-WRHSUISWSA-N	1	3	234.387	2.154	20	70		BEIDHO