smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)[C@H]1CC[C@@H](c2ccc(OCCC[NH+]3CCCCC3)cc2)CC1	ZINC000101437306	219127216	/nfs/dbraw/zinc/12/72/16/219127216.db2.gz	NBCFVKKQKAXINS-XUTJKUGGSA-N	2	0	344.543	4.529	1	0		EJAFRP
CC[n+]1c(Cc2ccc3ccccc3[n+]2C(C)C)ccc2ccccc21	ZINC000027423090	202154768	/nfs/dbraw/zinc/15/47/68/202154768.db2.gz	OTQMHZIXWNTGKS-UHFFFAOYSA-N	2	0	342.486	4.760	1	0		EJAFRP
C[C@H]1[C@@H]2Cc3ccc(Nc4cc[nH+]cc4)cc3[C@@]1(C)CC[N@@H+]2CC1CC1	ZINC000027980087	202162398	/nfs/dbraw/zinc/16/23/98/202162398.db2.gz	KSTUAFOFLCIWRV-GMWOSMDTSA-N	2	0	347.506	4.759	1	0		EJAFRP
CC1=[NH+]c2ccc(Cl)cc2[C@@H](c2ccccc2)N1CCC[NH+](C)C	ZINC000072126016	216018404	/nfs/dbraw/zinc/01/84/04/216018404.db2.gz	MLJJLSUFQVBLMB-HXUWFJFHSA-N	2	0	341.886	4.747	1	0		EJAFRP
[NH3+][C@@H]1CC2([NH+]3CCCC3)C[C@@H](c3ccccc3)C1[C@@H](c1ccccc1)C2	ZINC000040394648	213297746	/nfs/dbraw/zinc/29/77/46/213297746.db2.gz	IYAJPJISYGDBLQ-PAZWHPHWSA-N	2	0	346.518	4.530	1	0		EJAFRP
[NH3+][C@@H]1CC2([NH+]3CCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2	ZINC000040394649	213297527	/nfs/dbraw/zinc/29/75/27/213297527.db2.gz	IYAJPJISYGDBLQ-LXDQLMLUSA-N	2	0	346.518	4.530	1	0		EJAFRP
Cc1ccc2c(c1C)C[N@H+](CCCC[NH+](C)C)C[C@H]2c1ccccc1	ZINC000038156045	213204245	/nfs/dbraw/zinc/20/42/45/213204245.db2.gz	ZIQVUHSXFIVRAX-QHCPKHFHSA-N	2	0	336.523	4.593	1	0		EJAFRP
CC1=[NH+]c2ccccc2[C@@H](c2ccccc2)N1CC[NH+]1CCCCC1	ZINC000072123286	216014747	/nfs/dbraw/zinc/01/47/47/216014747.db2.gz	SPBRHITZBQNEJB-JOCHJYFZSA-N	2	0	333.479	4.627	1	0		EJAFRP
CC1=[NH+]c2ccc(Cl)cc2[C@H](c2ccccc2)N1CCC[NH+](C)C	ZINC000072126015	216017578	/nfs/dbraw/zinc/01/75/78/216017578.db2.gz	MLJJLSUFQVBLMB-FQEVSTJZSA-N	2	0	341.886	4.747	1	0		EJAFRP
CC[NH+](CC)CCC[C@H](C)Nc1c2c([nH+]c3c1CCCC3)CCCC2	ZINC000029553951	202189538	/nfs/dbraw/zinc/18/95/38/202189538.db2.gz	YKORLKMHNGQVSH-KRWDZBQOSA-N	2	0	343.559	4.762	1	0		EJAFRP
CCC(CC)C[N@H+](Cc1ccccc1C(F)(F)F)C1CC[NH2+]CC1	ZINC000036093141	213062102	/nfs/dbraw/zinc/06/21/02/213062102.db2.gz	UZCRUMOKTIFCRO-UHFFFAOYSA-N	2	0	342.449	4.696	1	0		EJAFRP
CC[NH+](CC)CCNc1c2ccc(Cl)cc2[nH+]c2c1CCCC2	ZINC000169306814	528139401	/nfs/dbraw/zinc/13/94/01/528139401.db2.gz	IMWJWEHLDSAWPA-UHFFFAOYSA-N	2	0	331.891	4.521	1	0		EJAFRP
c1ccc([C@H]2CC3([NH+]4CCCC4)C[C@H](c4ccccc4)C2[NH2+]CC3)cc1	ZINC000040753109	213382085	/nfs/dbraw/zinc/38/20/85/213382085.db2.gz	JAUSJLJIGYRGJQ-SSPWFOHLSA-N	2	0	346.518	4.544	1	0		EJAFRP
c1ccc2[nH+]c(Nc3ccc(Nc4[nH]c5ccccc5[nH+]4)cc3)[nH]c2c1	ZINC000034346491	202272741	/nfs/dbraw/zinc/27/27/41/202272741.db2.gz	MOWJLIRPLBUMJZ-UHFFFAOYSA-N	2	0	340.390	4.926	1	0		EJAFRP
Clc1ccc(CC[NH2+][C@@H]2CCCC[C@@H]2[NH+]2CCCC2)cc1Cl	ZINC000019365786	212021110	/nfs/dbraw/zinc/02/11/10/212021110.db2.gz	NREHOBGKKWFKES-MSOLQXFVSA-N	2	0	341.326	4.533	1	0		EJAFRP
CC(C)(C)c1cc[n+](CCCCC[n+]2ccc(C(C)(C)C)cc2)cc1	ZINC000066156532	215018077	/nfs/dbraw/zinc/01/80/77/215018077.db2.gz	NOKQBUUBJLGGLE-UHFFFAOYSA-N	2	0	340.555	4.727	1	0		EJAFRP
C[NH2+][C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H]5[C@H](C)[NH+]=C[C@@]54CC[C@@H]32)C1	ZINC000118921504	221204497	/nfs/dbraw/zinc/20/44/97/221204497.db2.gz	CHMBCKMSXBNZSX-QLPKIABKSA-N	2	0	326.528	4.606	1	0		EJAFRP
Cc1ccc2c(c1C)C[N@H+](CCCC[NH+](C)C)C[C@@H]2c1ccccc1	ZINC000038156044	213203659	/nfs/dbraw/zinc/20/36/59/213203659.db2.gz	ZIQVUHSXFIVRAX-HSZRJFAPSA-N	2	0	336.523	4.593	1	0		EJAFRP
Clc1ccc(CC[NH2+][C@H]2CCCC[C@H]2[NH+]2CCCC2)cc1Cl	ZINC000038349231	213207551	/nfs/dbraw/zinc/20/75/51/213207551.db2.gz	NREHOBGKKWFKES-ZWKOTPCHSA-N	2	0	341.326	4.533	1	0		EJAFRP
CC1=[NH+]c2ccccc2[C@H](c2ccccc2)N1CC[NH+]1CCCCC1	ZINC000072123285	216015413	/nfs/dbraw/zinc/01/54/13/216015413.db2.gz	SPBRHITZBQNEJB-QFIPXVFZSA-N	2	0	333.479	4.627	1	0		EJAFRP
C[NH2+][C@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H]([NH2+]C)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000072127549	203164991	/nfs/dbraw/zinc/16/49/91/203164991.db2.gz	OAKAVYAUTSENJX-YDDBCJSBSA-N	2	0	344.587	4.761	1	0		EJAFRP