smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC[n+]1ccc(-c2c[nH]c3ccccc23)cc1	ZINC000000042755	357143600	/nfs/dbraw/zinc/14/36/00/357143600.db2.gz	CUKSXCGEPYONDY-UHFFFAOYSA-O	1	0	237.326	3.532	50	10		BHCARO
CCOc1ccc2c(c1)C(C)=CC(C)(C)[N+]2(C)C	ZINC000000055070	170566951	/nfs/dbraw/zinc/56/69/51/170566951.db2.gz	REFRCEMASWBBFI-UHFFFAOYSA-N	1	0	246.374	3.848	50	10		BHCARO
Oc1ccc2ccccc2c1C[NH+]1CCCCC1	ZINC000000129274	183284523	/nfs/dbraw/zinc/28/45/23/183284523.db2.gz	WFZSFSMELSBBJO-UHFFFAOYSA-N	1	0	241.334	3.531	50	10		BHCARO
Oc1c(C[NH+]2CCCCC2)ccc2ccccc21	ZINC000000158003	183253470	/nfs/dbraw/zinc/25/34/70/183253470.db2.gz	LYBPBRBKERCUNO-UHFFFAOYSA-N	1	0	241.334	3.531	50	10		BHCARO
[NH3+][C@@H](c1ccccc1)c1c(O)ccc2ccccc21	ZINC000000189322	342679796	/nfs/dbraw/zinc/67/97/96/342679796.db2.gz	PZMIGEOOGFFCNT-KRWDZBQOSA-N	1	0	249.313	3.594	50	10		BHCARO
[NH3+][C@H](c1ccccc1)c1c(O)ccc2ccccc21	ZINC000000189326	342679844	/nfs/dbraw/zinc/67/98/44/342679844.db2.gz	PZMIGEOOGFFCNT-QGZVFWFLSA-N	1	0	249.313	3.594	50	10		BHCARO
CCCC[NH+](CCCC)Cc1ccc(N)cc1	ZINC000002264744	168806833	/nfs/dbraw/zinc/80/68/33/168806833.db2.gz	ZGKOPGXHDDXHGM-UHFFFAOYSA-N	1	0	234.387	3.671	50	10		BHCARO
CCCC[N@H+](C)Cc1c(O)ccc2ccccc21	ZINC000002472032	343138861	/nfs/dbraw/zinc/13/88/61/343138861.db2.gz	GKCZVBZHDHBWJF-UHFFFAOYSA-N	1	0	243.350	3.777	50	10		BHCARO
CC(C)(C)c1ccc(O)c(C[NH+]2CCCCC2)c1	ZINC000002477769	388458911	/nfs/dbraw/zinc/45/89/11/388458911.db2.gz	IQQZIMMIMWQUJT-UHFFFAOYSA-N	1	0	247.382	3.676	50	10		BHCARO
CN(C)c1ccc(C[NH+]2CCCCCCC2)cc1	ZINC000003684218	343272708	/nfs/dbraw/zinc/27/27/08/343272708.db2.gz	YBENRSTUBNBSKQ-UHFFFAOYSA-N	1	0	246.398	3.519	50	10		BHCARO
COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C)cc1C	ZINC000004011259	188101446	/nfs/dbraw/zinc/10/14/46/188101446.db2.gz	ICPNPQVKYJJHJP-SWLSCSKDSA-N	1	0	247.382	3.672	50	10		BHCARO
COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C)cc1C	ZINC000004011260	175112057	/nfs/dbraw/zinc/11/20/57/175112057.db2.gz	ICPNPQVKYJJHJP-WFASDCNBSA-N	1	0	247.382	3.672	50	10		BHCARO
COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C)cc1C	ZINC000004011261	342740873	/nfs/dbraw/zinc/74/08/73/342740873.db2.gz	ICPNPQVKYJJHJP-IUODEOHRSA-N	1	0	247.382	3.672	50	10		BHCARO
COc1ccc(C[NH2+][C@H]2CCCC[C@H]2C)cc1C	ZINC000004011262	175112041	/nfs/dbraw/zinc/11/20/41/175112041.db2.gz	ICPNPQVKYJJHJP-DOMZBBRYSA-N	1	0	247.382	3.672	50	10		BHCARO
CCN(CC)c1ccc(C[NH2+]C2CCCC2)cc1	ZINC000004677110	342750502	/nfs/dbraw/zinc/75/05/02/342750502.db2.gz	KHNWJXMZAZYYHD-UHFFFAOYSA-N	1	0	246.398	3.565	50	10		BHCARO
COc1ccc(C[NH2+]C2CCCCCC2)cc1C	ZINC000004685494	175106169	/nfs/dbraw/zinc/10/61/69/175106169.db2.gz	BUHIVNDNOHICQI-UHFFFAOYSA-N	1	0	247.382	3.816	50	10		BHCARO
c1cn(-c2c3ccccc3[nH+]c3ccccc32)cn1	ZINC000004725920	385164920	/nfs/dbraw/zinc/16/49/20/385164920.db2.gz	WMLCJNVGEDCRLQ-UHFFFAOYSA-N	1	0	245.285	3.574	50	10		BHCARO
CN(C)c1ccc(C[NH2+]C2CCCCCC2)cc1	ZINC000004865915	342753489	/nfs/dbraw/zinc/75/34/89/342753489.db2.gz	IOSGUSZOURMMID-UHFFFAOYSA-N	1	0	246.398	3.565	50	10		BHCARO
CCN(CC)c1ccc(C[NH+]2CCCCC2)cc1	ZINC000004980704	342755698	/nfs/dbraw/zinc/75/56/98/342755698.db2.gz	FKUFCLGAIYQODW-UHFFFAOYSA-N	1	0	246.398	3.519	50	10		BHCARO
CN(C)c1ccc(C[N@H+](C)C2CCCCC2)cc1	ZINC000004981079	187247905	/nfs/dbraw/zinc/24/79/05/187247905.db2.gz	WQPLWQPEWGWBEL-UHFFFAOYSA-N	1	0	246.398	3.517	50	10		BHCARO
CCCCC[NH2+]Cc1ccc(N(CC)CC)cc1	ZINC000006859307	342785213	/nfs/dbraw/zinc/78/52/13/342785213.db2.gz	WABMZTYZUFOQGF-UHFFFAOYSA-N	1	0	248.414	3.813	50	10		BHCARO
CCN(CC)c1ccc(C[NH2+]CCC(C)C)cc1	ZINC000013718196	384371587	/nfs/dbraw/zinc/37/15/87/384371587.db2.gz	LIQQKRJGAZTSJF-UHFFFAOYSA-N	1	0	248.414	3.669	50	10		BHCARO
CCN(CC)c1ccc(C[NH2+]C(C)(C)CC)cc1	ZINC000013718198	188106541	/nfs/dbraw/zinc/10/65/41/188106541.db2.gz	ZLLOCUYXACNZMB-UHFFFAOYSA-N	1	0	248.414	3.811	50	10		BHCARO
Oc1ccc2ccccc2c1C[NH2+]C1CCCC1	ZINC000019883380	183285042	/nfs/dbraw/zinc/28/50/42/183285042.db2.gz	PLWZXGPLMKKELG-UHFFFAOYSA-N	1	0	241.334	3.578	50	10		BHCARO
Oc1ccccc1C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21	ZINC000023282027	183302390	/nfs/dbraw/zinc/30/23/90/183302390.db2.gz	JBOWCOWLFHTNNS-ZFWWWQNUSA-N	1	0	245.366	3.547	50	10		BHCARO
Oc1ccccc1C[N@@H+]1CCC[C@H]2CCCC[C@@H]21	ZINC000023282029	183302669	/nfs/dbraw/zinc/30/26/69/183302669.db2.gz	JBOWCOWLFHTNNS-HIFRSBDPSA-N	1	0	245.366	3.547	50	10		BHCARO
C[C@@H](CC1CCCCC1)[NH2+]Cc1ccccc1O	ZINC000034875345	345843352	/nfs/dbraw/zinc/84/33/52/345843352.db2.gz	IRWBEPDMVHOCPD-ZDUSSCGKSA-N	1	0	247.382	3.841	50	10		BHCARO
Cc1cc(C[NH3+])c(C)n1-c1ccc(C(C)C)cc1	ZINC000034936136	343280972	/nfs/dbraw/zinc/28/09/72/343280972.db2.gz	OOHDSTGZDQYNNC-UHFFFAOYSA-N	1	0	242.366	3.676	50	10		BHCARO
Cc1cc(C[NH2+]C(C)C)c(C)n1-c1ccccc1	ZINC000036923323	178017046	/nfs/dbraw/zinc/01/70/46/178017046.db2.gz	VEROPWZWUKHGHV-UHFFFAOYSA-N	1	0	242.366	3.592	50	10		BHCARO
C[C@H](CC1CCCCC1)[NH2+]Cc1ccccc1O	ZINC000045166848	640508415	/nfs/dbraw/zinc/50/84/15/640508415.db2.gz	IRWBEPDMVHOCPD-CYBMUJFWSA-N	1	0	247.382	3.841	50	10		BHCARO
Oc1ccccc1C[N@@H+]1CCC[C@H]2CCCC[C@H]21	ZINC000179576894	183302093	/nfs/dbraw/zinc/30/20/93/183302093.db2.gz	JBOWCOWLFHTNNS-UKRRQHHQSA-N	1	0	245.366	3.547	50	10		BHCARO
Oc1ccccc1C[N@@H+]1CCC[C@@H]2CCCC[C@H]21	ZINC000230136160	183301326	/nfs/dbraw/zinc/30/13/26/183301326.db2.gz	JBOWCOWLFHTNNS-DZGCQCFKSA-N	1	0	245.366	3.547	50	10		BHCARO