smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@@H+]1CC[C@H]2CCc3cc(O)c(O)cc3[C@@H]2C1	ZINC000027555963	173160820	/nfs/dbraw/zinc/16/08/20/173160820.db2.gz	ZLYMIFTYLJNATC-BXKDBHETSA-N	1	0	233.311	2.079	1	10		BECFRO
NC(=[NH2+])Nc1ccc(Cc2ccc(N)cc2)cc1	ZINC000049033564	181190693	/nfs/dbraw/zinc/19/06/93/181190693.db2.gz	BZFHPIGNLSAYJG-UHFFFAOYSA-N	1	0	240.310	2.165	1	10		BECFRO
COc1cc(O)c2c(c1)C[C@H](C)[N+](C)(C)[C@H]2C	ZINC000005848990	717102589	/nfs/dbraw/zinc/10/25/89/717102589.db2.gz	AZAIYNWEFAQYGL-UWVGGRQHSA-O	1	0	236.335	2.483	1	10		BECFRO
CC[N+]1(CC)CCN(c2ccc(OC)cc2)CC1	ZINC000653788934	717187933	/nfs/dbraw/zinc/18/79/33/717187933.db2.gz	DDSGXMKVEQISKV-UHFFFAOYSA-N	1	0	249.378	2.372	1	10		BECFRO
N#[N+]C1=C2C=CCC=C2c2c1cccc2N	ZINC000040568118	183317167	/nfs/dbraw/zinc/31/71/67/183317167.db2.gz	OTECSHSVNJPQLT-UHFFFAOYSA-N	1	0	207.236	2.316	1	10		BECFRO
COc1ccc(N2CC[N+]3(CCCC3)CC2)cc1	ZINC000053014342	536706630	/nfs/dbraw/zinc/70/66/30/536706630.db2.gz	ALNFLVZCZDXKSI-UHFFFAOYSA-N	1	0	247.362	2.126	1	10		BECFRO
Oc1cc2c(cc1O)CC([NH+]1CCCCC1)C2	ZINC000036295020	183262216	/nfs/dbraw/zinc/26/22/16/183262216.db2.gz	ZGODDNQOHHEDDH-UHFFFAOYSA-N	1	0	233.311	2.051	1	10		BECFRO
Cc1[nH+]n(C)c(C)c2cc([N+](=O)[O-])cc1-2	ZINC000000481535	180349829	/nfs/dbraw/zinc/34/98/29/180349829.db2.gz	AWZXFVMIUDFKMX-UHFFFAOYSA-N	1	0	205.217	2.050	1	10		BECFRO
N#[N+]C1=C2C=CCC=C2c2cccc(N)c21	ZINC000040568158	183317074	/nfs/dbraw/zinc/31/70/74/183317074.db2.gz	OQZSDNYRFGJKSI-UHFFFAOYSA-N	1	0	207.236	2.316	1	10		BECFRO
CC[NH2+]C[C@H]1CCCc2cc(O)c(O)cc21	ZINC000027883074	170122835	/nfs/dbraw/zinc/12/28/35/170122835.db2.gz	KJJFMQJWFCHZKM-SNVBAGLBSA-N	1	0	221.300	2.127	1	10		BECFRO
C[N@@H+]1CCC[C@@H]2c3cc(O)c(O)cc3CC[C@@H]21	ZINC000027554460	173035455	/nfs/dbraw/zinc/03/54/55/173035455.db2.gz	AOVXJZKPIOGYFW-PWSUYJOCSA-N	1	0	233.311	2.222	1	10		BECFRO
C[N@@H+]1CCC[C@H]2c3cc(O)c(O)cc3CC[C@@H]21	ZINC000027554458	173058862	/nfs/dbraw/zinc/05/88/62/173058862.db2.gz	AOVXJZKPIOGYFW-JQWIXIFHSA-N	1	0	233.311	2.222	1	10		BECFRO
C[N@@H+]1CC[C@@H]2CCc3cc(O)c(O)cc3[C@@H]2C1	ZINC000027555961	173132092	/nfs/dbraw/zinc/13/20/92/173132092.db2.gz	ZLYMIFTYLJNATC-JOYOIKCWSA-N	1	0	233.311	2.079	1	10		BECFRO
[NH3+]C[C@@H](Cc1ccccc1)c1ccc(O)c(O)c1	ZINC000026488180	181419124	/nfs/dbraw/zinc/41/91/24/181419124.db2.gz	XHFQGJPSFDFHAT-CYBMUJFWSA-N	1	0	243.306	2.383	1	10		BECFRO
C[n+]1c2ccccc2c(N)c2ccccc21	ZINC000005438176	188519532	/nfs/dbraw/zinc/51/95/32/188519532.db2.gz	SQFZLHHJWJODCA-UHFFFAOYSA-O	1	0	209.272	2.400	1	10		BECFRO
[NH2+]=C(Cc1ccc(O)cc1)c1ccc(O)c(O)c1	ZINC000040845862	181185446	/nfs/dbraw/zinc/18/54/46/181185446.db2.gz	AXXINAHNXPLCJB-UHFFFAOYSA-N	1	0	243.262	2.414	1	10		BECFRO
CC[NH+](CC)[C@H](C)Cc1ccc(O)c(O)c1	ZINC000169322897	169800950	/nfs/dbraw/zinc/80/09/50/169800950.db2.gz	XIMCFXBJLWOBQT-SNVBAGLBSA-N	1	0	223.316	2.371	1	10		BECFRO
C[N@@H+]1CCC[C@H]2c3ccc(O)c(O)c3CC[C@@H]21	ZINC000005966457	173059481	/nfs/dbraw/zinc/05/94/81/173059481.db2.gz	SWFUCNOWUPBIGO-JQWIXIFHSA-N	1	0	233.311	2.222	1	10		BECFRO
C[NH+](C)[C@H]1C[C@H]2C[C@@H]1c1cc(O)c(O)cc12	ZINC000027196607	172541656	/nfs/dbraw/zinc/54/16/56/172541656.db2.gz	LJBAPOGRQBYOPW-ONOSFVFSSA-N	1	0	219.284	2.003	1	10		BECFRO
C[N@@H+]1CCC[C@@H]2c3cc(O)c(O)cc3CC[C@H]21	ZINC000027556169	173035440	/nfs/dbraw/zinc/03/54/40/173035440.db2.gz	AOVXJZKPIOGYFW-ZYHUDNBSSA-N	1	0	233.311	2.222	1	10		BECFRO
C[N@@H+]1CCC[C@@H]2c3ccc(O)c(O)c3CC[C@@H]21	ZINC000104957747	173035514	/nfs/dbraw/zinc/03/55/14/173035514.db2.gz	SWFUCNOWUPBIGO-PWSUYJOCSA-N	1	0	233.311	2.222	1	10		BECFRO
NC(=[NH2+])Nc1ccc(Oc2ccc(N)cc2)cc1	ZINC000049033183	181191430	/nfs/dbraw/zinc/19/14/30/181191430.db2.gz	WKDSIPBWKFRZGJ-UHFFFAOYSA-N	1	0	242.282	2.366	1	10		BECFRO
NC(=[NH2+])Nc1ccc(Nc2ccc(N)cc2)cc1	ZINC000049231547	181191652	/nfs/dbraw/zinc/19/16/52/181191652.db2.gz	ZKCOUZMBPHTHSX-UHFFFAOYSA-N	1	0	241.298	2.318	1	10		BECFRO
CC[N@@H+]1CC[C@H]2CCc3cc(O)c(O)cc3[C@H]2C1	ZINC000071295769	170023779	/nfs/dbraw/zinc/02/37/79/170023779.db2.gz	YUCIKUCXHAQTDW-MFKMUULPSA-N	1	0	247.338	2.469	1	10		BECFRO
CC[NH2+]C[C@@H]1CCCc2cc(O)c(O)cc21	ZINC000027883067	170120004	/nfs/dbraw/zinc/12/00/04/170120004.db2.gz	KJJFMQJWFCHZKM-JTQLQIEISA-N	1	0	221.300	2.127	1	10		BECFRO