smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc[nH+]cc1NCc1c(O)ccc2ccccc21	ZINC000071413405	176158676	/nfs/dbraw/zinc/15/86/76/176158676.db2.gz	JKDHKLWZTKVRRY-UHFFFAOYSA-N	1	2	264.328	3.861	10	10		CHCELO
C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1O)c1ccncc1	ZINC000020121431	171000091	/nfs/dbraw/zinc/00/00/91/171000091.db2.gz	KZGQRUWERXCNBU-SECBINFHSA-N	1	2	297.185	3.945	10	10		CHCELO
CCCn1c2ccccc2[nH+]c1CCc1ccc(N)cc1	ZINC000020980512	171282626	/nfs/dbraw/zinc/28/26/26/171282626.db2.gz	JAQGSXJFNNSBLT-UHFFFAOYSA-N	1	2	279.387	3.814	10	10		CHCELO
CN(C)c1ccc(/C=C2\CCC[NH+]=C2c2cccnc2)cc1	ZINC000007992850	170312710	/nfs/dbraw/zinc/31/27/10/170312710.db2.gz	KHUUTHZSRXABAC-DTQAZKPQSA-N	1	2	291.398	3.814	10	10	in-vitro	CHCELO
CN(Cc1ccc(Br)cc1)c1ccc([NH3+])cc1	ZINC000020374530	171170314	/nfs/dbraw/zinc/17/03/14/171170314.db2.gz	WIUHAWPCOUQCRM-UHFFFAOYSA-N	1	2	291.192	3.668	10	10		CHCELO
Nc1[nH+]cccc1OCc1ccc(Cl)cc1Cl	ZINC000020483721	171223424	/nfs/dbraw/zinc/22/34/24/171223424.db2.gz	WDFQTDORICHGLC-UHFFFAOYSA-N	1	2	269.131	3.550	10	10		CHCELO
CCn1c2ccc(C)cc2[nH+]c1Cc1ccc(N)cc1	ZINC000037437980	173209010	/nfs/dbraw/zinc/20/90/10/173209010.db2.gz	OXUKDSDJMZESCQ-UHFFFAOYSA-N	1	2	265.360	3.538	10	10		CHCELO
Nc1ccc(Nc2ccc(Br)c(Cl)c2)[nH+]c1	ZINC000035656172	172332681	/nfs/dbraw/zinc/33/26/81/172332681.db2.gz	RFFBBJVKXBVTRH-UHFFFAOYSA-N	1	2	298.571	3.823	10	10		CHCELO
Cc1cc([NH+](C)C)ccc1NCc1cccc(F)c1O	ZINC000164951693	331305489	/nfs/dbraw/zinc/30/54/89/331305489.db2.gz	ASSAMQCJTQFYST-UHFFFAOYSA-N	1	2	274.339	3.518	10	10		CHCELO
COc1cccc(Nc2ccc3c(c2)CCC[NH2+]3)c1[N+](=O)[O-]	ZINC000262038127	526211372	/nfs/dbraw/zinc/21/13/72/526211372.db2.gz	BNUFYFWXELMGLR-UHFFFAOYSA-N	1	2	299.330	3.705	10	10		CHCELO
Nc1ccc(Nc2ccccc2SC(F)F)[nH+]c1	ZINC000020585127	171258827	/nfs/dbraw/zinc/25/88/27/171258827.db2.gz	NPDQMULTYNRSPA-UHFFFAOYSA-N	1	2	267.304	3.722	10	10		CHCELO
CCCn1c2ccc(C)cc2[nH+]c1Cc1ccc(N)cc1	ZINC000037438221	173208696	/nfs/dbraw/zinc/20/86/96/173208696.db2.gz	ZWGFXTFKQLYCIC-UHFFFAOYSA-N	1	2	279.387	3.928	10	10		CHCELO
Nc1[nH+]c2ccccc2cc1CSc1nccs1	ZINC000050839254	527562580	/nfs/dbraw/zinc/56/25/80/527562580.db2.gz	QXXPTPHFCSZXEK-UHFFFAOYSA-N	1	2	273.386	3.566	10	10		CHCELO
CC[N@H+](CCCc1ccc(N)cc1)c1ccccc1	ZINC000020192369	171058263	/nfs/dbraw/zinc/05/82/63/171058263.db2.gz	MALVSMRFAGGQOM-UHFFFAOYSA-N	1	2	254.377	3.728	10	10		CHCELO
CC[N@@H+](CCCc1ccc(N)cc1)c1ccccc1	ZINC000020192369	171058265	/nfs/dbraw/zinc/05/82/65/171058265.db2.gz	MALVSMRFAGGQOM-UHFFFAOYSA-N	1	2	254.377	3.728	10	10		CHCELO
Oc1c(F)cccc1CNc1ccc([NH+]2CCCC2)cc1	ZINC000164997051	331305673	/nfs/dbraw/zinc/30/56/73/331305673.db2.gz	SCQADGWPUJWHHS-UHFFFAOYSA-N	1	2	286.350	3.744	10	10		CHCELO
C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1O)c1ccncc1	ZINC000020121432	171000709	/nfs/dbraw/zinc/00/07/09/171000709.db2.gz	KZGQRUWERXCNBU-VIFPVBQESA-N	1	2	297.185	3.945	10	10		CHCELO