smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCN1C(=S)SC(C)(C)C1[N+](=O)Cc1c(F)cccc1Cl	ZINC000002260766	204029716	/nfs/dbraw/zinc/02/97/16/204029716.db2.gz	HNDFCBXEWMFRKH-ATDWHHCWSA-N	1	3	360.907	4.257	50	30		FIEAHO
C#Cc1ccc(CN(C)C[C@H]2CCC[N@H+](CCc3ccccc3F)C2)cc1	ZINC000012076661	263369337	/nfs/dbraw/zinc/36/93/37/263369337.db2.gz	RBZITKHPGGMOAZ-JOCHJYFZSA-N	1	3	364.508	4.194	50	30		FIEAHO
C#Cc1ccc(CN(C)C[C@H]2CCC[N@@H+](CCc3ccccc3F)C2)cc1	ZINC000012076661	263369339	/nfs/dbraw/zinc/36/93/39/263369339.db2.gz	RBZITKHPGGMOAZ-JOCHJYFZSA-N	1	3	364.508	4.194	50	30		FIEAHO
C#Cc1ccc(C[N@H+](C)CC2CCN(CCc3ccc(F)cc3)CC2)cc1	ZINC000015068585	518359205	/nfs/dbraw/zinc/35/92/05/518359205.db2.gz	FUJFYRFGPZLTOV-UHFFFAOYSA-N	1	3	364.508	4.194	50	30		FIEAHO
C#Cc1ccc(C[N@@H+](C)CC2CCN(CCc3ccc(F)cc3)CC2)cc1	ZINC000015068585	518359214	/nfs/dbraw/zinc/35/92/14/518359214.db2.gz	FUJFYRFGPZLTOV-UHFFFAOYSA-N	1	3	364.508	4.194	50	30		FIEAHO
CC1(C)SC(=S)N(c2ccccc2)C1[N+](=O)Cc1ccccc1F	ZINC000002265940	204031304	/nfs/dbraw/zinc/03/13/04/204031304.db2.gz	URDJBBAEQFCDGT-DEFALTHMSA-N	1	3	360.479	4.398	50	30		FIEAHO
CC1(C)SC(=S)N(Cc2ccccc2)C1[N+](=O)Cc1cccs1	ZINC000001436799	206228204	/nfs/dbraw/zinc/22/82/04/206228204.db2.gz	MFRGRJRPNSINOA-CCRNYGKSSA-N	1	3	362.545	4.316	50	30		FIEAHO
CCCN1C(=S)SC(C)(C)C1[N+](=O)Cc1ccc(SC)cc1	ZINC000002260651	204029891	/nfs/dbraw/zinc/02/98/91/204029891.db2.gz	BXCOVZYVIBYQQN-DZBQEORWSA-N	1	3	354.566	4.186	50	30		FIEAHO
CC1(C)SC(=S)N(Cc2ccccc2)C1[N+](=O)Cc1ccccc1	ZINC000100099197	520617105	/nfs/dbraw/zinc/61/71/05/520617105.db2.gz	BCSMBPWJOFUQOD-AQRZYSDFSA-N	1	3	356.516	4.254	50	30		FIEAHO
CCCN1C(=S)SC(C)(C)C1[N+](=O)Cc1ccc(SC)cc1	ZINC000002260653	571293879	/nfs/dbraw/zinc/29/38/79/571293879.db2.gz	BXCOVZYVIBYQQN-JVVDOCDTSA-N	1	3	354.566	4.186	50	30		FIEAHO
C#Cc1ccc(CN(C)C[C@@H]2CCC[N@H+](CCc3ccccc3F)C2)cc1	ZINC000012076660	263368949	/nfs/dbraw/zinc/36/89/49/263368949.db2.gz	RBZITKHPGGMOAZ-QFIPXVFZSA-N	1	3	364.508	4.194	50	30		FIEAHO
C#Cc1ccc(CN(C)C[C@@H]2CCC[N@@H+](CCc3ccccc3F)C2)cc1	ZINC000012076660	263368953	/nfs/dbraw/zinc/36/89/53/263368953.db2.gz	RBZITKHPGGMOAZ-QFIPXVFZSA-N	1	3	364.508	4.194	50	30		FIEAHO
CCCN1C(=S)SC(C)(C)C1[N+](=O)Cc1c(F)cccc1Cl	ZINC000002260768	571293839	/nfs/dbraw/zinc/29/38/39/571293839.db2.gz	HNDFCBXEWMFRKH-JFPGXGMNSA-N	1	3	360.907	4.257	50	30		FIEAHO
COc1ccccc1C[N+](=O)C1N(c2ccccc2)C(=S)SC1(C)C	ZINC000002260603	571293821	/nfs/dbraw/zinc/29/38/21/571293821.db2.gz	DOQVAXCYHYKXPX-VJOZSWGJSA-N	1	3	372.515	4.267	50	30		FIEAHO
COc1ccccc1C[N+](=O)C1N(c2ccccc2)C(=S)SC1(C)C	ZINC000002260601	571293847	/nfs/dbraw/zinc/29/38/47/571293847.db2.gz	DOQVAXCYHYKXPX-IZQLPPHKSA-N	1	3	372.515	4.267	50	30		FIEAHO
C=C(C)CN(CC)Cc1ccccc1OC[C@H](O)C[N@H+](C)C1CCCCC1	ZINC000012701377	210141847	/nfs/dbraw/zinc/14/18/47/210141847.db2.gz	LNBUGBSHIIICAN-JOCHJYFZSA-N	1	3	374.569	4.089	50	30		FIEAHO
C=C(C)CN(CC)Cc1ccccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1	ZINC000012701377	210141852	/nfs/dbraw/zinc/14/18/52/210141852.db2.gz	LNBUGBSHIIICAN-JOCHJYFZSA-N	1	3	374.569	4.089	50	30		FIEAHO
c1ccc(CN2CCC(=NN=C3CC[NH+](Cc4ccccc4)CC3)CC2)cc1	ZINC000210797597	570450322	/nfs/dbraw/zinc/45/03/22/570450322.db2.gz	IJHXNNSUUUOGAK-UHFFFAOYSA-N	1	3	374.532	4.375	50	30		FIEAHO
CC1(C)SC(=S)N(c2ccccc2)C1[N+](=O)Cc1ccccc1F	ZINC000002265942	210386632	/nfs/dbraw/zinc/38/66/32/210386632.db2.gz	URDJBBAEQFCDGT-SDLDRHLBSA-N	1	3	360.479	4.398	50	30		FIEAHO
CC1(C)SC(=S)N(Cc2ccccc2)C1[N+](=O)Cc1ccccc1	ZINC000004785835	571236118	/nfs/dbraw/zinc/23/61/18/571236118.db2.gz	BCSMBPWJOFUQOD-JPOGYNCRSA-N	1	3	356.516	4.254	50	30		FIEAHO
C=C(C)CN(CC)Cc1ccccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1	ZINC000012701370	220017648	/nfs/dbraw/zinc/01/76/48/220017648.db2.gz	LNBUGBSHIIICAN-QFIPXVFZSA-N	1	3	374.569	4.089	50	30		FIEAHO
C=C(C)CN(CC)Cc1ccccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1	ZINC000012701370	220017650	/nfs/dbraw/zinc/01/76/50/220017650.db2.gz	LNBUGBSHIIICAN-QFIPXVFZSA-N	1	3	374.569	4.089	50	30		FIEAHO
C=CCN1C(=S)SC(C)(C)C1[N+](=O)Cc1c(F)cccc1Cl	ZINC000002254867	571294116	/nfs/dbraw/zinc/29/41/16/571294116.db2.gz	AEJDBUJPQNVZSP-ATDWHHCWSA-N	1	3	358.891	4.033	50	30		FIEAHO
C=CCN1C(=S)SC(C)(C)C1[N+](=O)Cc1c(F)cccc1Cl	ZINC000002254865	571294112	/nfs/dbraw/zinc/29/41/12/571294112.db2.gz	AEJDBUJPQNVZSP-JFPGXGMNSA-N	1	3	358.891	4.033	50	30		FIEAHO
CCCCN1C(=S)SC(C)(C)C1[N+](=O)Cc1c[nH]c2ccccc12	ZINC000002267624	571293999	/nfs/dbraw/zinc/29/39/99/571293999.db2.gz	XEUFIGNGXWJDPF-IXGURIBZSA-N	1	3	361.536	4.336	50	30		FIEAHO
CCCCN1C(=S)SC(C)(C)C1[N+](=O)Cc1c[nH]c2ccccc12	ZINC000002267626	571294001	/nfs/dbraw/zinc/29/40/01/571294001.db2.gz	XEUFIGNGXWJDPF-YQODDJSKSA-N	1	3	361.536	4.336	50	30		FIEAHO
CC1(C)SC(=S)N(Cc2ccccc2)C1[N+](=O)Cc1cccs1	ZINC000001436797	571098379	/nfs/dbraw/zinc/09/83/79/571098379.db2.gz	MFRGRJRPNSINOA-VUFYJBQKSA-N	1	3	362.545	4.316	50	30		FIEAHO