smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCC[NH+]1CCCCC1	100267476	1169134227	/nfs/dbraw/zinc/13/42/27/1169134227.db2.gz	PBCPROXTVFVOBC-UHFFFAOYSA-N	1	0	183.339	3.443	50	30		AGEARO
CCCCCCCCCC[NH3+]	1545436	342946623	/nfs/dbraw/zinc/94/66/23/342946623.db2.gz	MHZGKXUYDGKKIU-UHFFFAOYSA-N	1	0	157.301	3.086	50	30	in-vitro	AGEARO
CCCC[P+](C)(C)c1ccccc1	49581161	343276232	/nfs/dbraw/zinc/27/62/32/343276232.db2.gz	OTINLLIJSMVQLL-UHFFFAOYSA-N	1	0	195.266	3.389	50	30		AGEARO
CC[P+](CC)(CC)CC	59590992	343346177	/nfs/dbraw/zinc/34/61/77/343346177.db2.gz	SZWHXXNVLACKBV-UHFFFAOYSA-N	1	0	147.222	3.084	50	30	in-vitro	AGEARO
C#CC(C)(C)[NH2+]C(C)(C)CC(C)(C)C	2387345	166013208	/nfs/dbraw/zinc/01/32/08/166013208.db2.gz	VFJXALVCGOCHNF-UHFFFAOYSA-N	1	0	195.350	3.203	50	30	in-vitro	AGEARO
C#CC[N+](C)(C)CCCCCCCC	1755791	166034222	/nfs/dbraw/zinc/03/42/22/166034222.db2.gz	BQLNVYHJDPTXMW-UHFFFAOYSA-N	1	0	196.358	3.057	50	30		AGEARO
C(=[NH+]/Cc1ccccc1)\c1ccccc1	100058772	166046223	/nfs/dbraw/zinc/04/62/23/166046223.db2.gz	MIYKHJXFICMPOJ-RVDMUPIBSA-N	1	0	195.265	3.306	50	30	in-vitro	AGEARO
C(=[NH+]/C1CCCCC1)\c1ccccc1	18159307	166046338	/nfs/dbraw/zinc/04/63/38/166046338.db2.gz	QKSQEJXIILKPDX-SDNWHVSQSA-N	1	0	187.286	3.438	50	30		AGEARO
C(\Nc1ccccc1)=[NH+]/c1ccccc1	1866990	166047058	/nfs/dbraw/zinc/04/70/58/166047058.db2.gz	ZQUVDXMUKIVNOW-UHFFFAOYSA-N	1	0	196.253	3.459	50	30	in-vitro	AGEARO
C=C(C)C/C=C(\C)C[NH+]1CCCCC1	3070181	166114291	/nfs/dbraw/zinc/11/42/91/166114291.db2.gz	RZGNYWUFSKSCLM-MDWZMJQESA-N	1	0	193.334	3.385	50	30		AGEARO
C=C(C)CC1(CC(=C)C)CCC[NH2+]1	5008380	166117179	/nfs/dbraw/zinc/11/71/79/166117179.db2.gz	RETNWYLUMYOAFO-UHFFFAOYSA-N	1	0	179.307	3.041	50	30		AGEARO
C=C(C)CC1(CC(=C)C)CCCC[NH2+]1	5008381	166117716	/nfs/dbraw/zinc/11/77/16/166117716.db2.gz	FBFQSXCLIAATOF-UHFFFAOYSA-N	1	0	193.334	3.431	50	30		AGEARO
C=C(C)C[N@@H+](CC)C1CCCCC1	20149844	166119725	/nfs/dbraw/zinc/11/97/25/166119725.db2.gz	JTNDOSRXRPWROO-UHFFFAOYSA-N	1	0	181.323	3.217	50	30		AGEARO
C=C(C)C[C@@H]1CC=C[C@@H](CC(=C)C)[NH2+]1	4298795	166124451	/nfs/dbraw/zinc/12/44/51/166124451.db2.gz	IPEKJIHMWYWWCB-STQMWFEESA-N	1	0	191.318	3.206	50	30		AGEARO
C=C(C)C[C@H]1C=CC[C@@H](CC(=C)C)[NH2+]1	4298793	166124671	/nfs/dbraw/zinc/12/46/71/166124671.db2.gz	IPEKJIHMWYWWCB-OLZOCXBDSA-N	1	0	191.318	3.206	50	30		AGEARO
C=C(C)C[C@@H]1C=CC[C@H](CC(=C)C)[NH2+]1	4298796	166125214	/nfs/dbraw/zinc/12/52/14/166125214.db2.gz	IPEKJIHMWYWWCB-QWHCGFSZSA-N	1	0	191.318	3.206	50	30		AGEARO
C=C(C)C[C@H]1C=CC[C@H](CC(=C)C)[NH2+]1	4298794	166126136	/nfs/dbraw/zinc/12/61/36/166126136.db2.gz	IPEKJIHMWYWWCB-CHWSQXEVSA-N	1	0	191.318	3.206	50	30		AGEARO
C=C1CCCCCC[C@@H]1C[NH+](C)C	44495167	166143631	/nfs/dbraw/zinc/14/36/31/166143631.db2.gz	YHFHZULEDWRWCO-GFCCVEGCSA-N	1	0	181.323	3.075	50	30		AGEARO
C=C1CCCCCC[C@H]1C[NH+](C)C	44495165	166145234	/nfs/dbraw/zinc/14/52/34/166145234.db2.gz	YHFHZULEDWRWCO-LBPRGKRZSA-N	1	0	181.323	3.075	50	30		AGEARO
C=CCCC[C@@H]([NH3+])c1ccccc1	70594174	166166662	/nfs/dbraw/zinc/16/66/62/166166662.db2.gz	OUTQDPHJAFRQDM-GFCCVEGCSA-N	1	0	175.275	3.043	50	30		AGEARO
C=CCCC[C@H]([NH3+])c1ccccc1	70594173	166166827	/nfs/dbraw/zinc/16/68/27/166166827.db2.gz	OUTQDPHJAFRQDM-LBPRGKRZSA-N	1	0	175.275	3.043	50	30		AGEARO
C=CC[NH2+]Cc1ccc(C(C)C)cc1	7009335	166187472	/nfs/dbraw/zinc/18/74/72/166187472.db2.gz	UJZOUXKMJQAGCZ-UHFFFAOYSA-N	1	0	189.302	3.086	50	30	in-vitro	AGEARO
C=CC[C@@H]([NH3+])c1cccc2ccccc12	44138977	166200353	/nfs/dbraw/zinc/20/03/53/166200353.db2.gz	HXAMVZGXBAQNOE-CQSZACIVSA-N	1	0	197.281	3.416	50	30		AGEARO
C=CC[C@@H]1CC=C[C@@H](c2ccccc2)[NH2+]1	4187901	166200483	/nfs/dbraw/zinc/20/04/83/166200483.db2.gz	XEDAFXCBQWHDQW-KGLIPLIRSA-N	1	0	199.297	3.222	50	30		AGEARO
C=CC[C@@H]1CC=C[C@H](c2ccccc2)[NH2+]1	2478018	166200575	/nfs/dbraw/zinc/20/05/75/166200575.db2.gz	XEDAFXCBQWHDQW-ZIAGYGMSSA-N	1	0	199.297	3.222	50	30		AGEARO
C=CC[C@H]([NH3+])c1cccc2ccccc12	44138975	166203817	/nfs/dbraw/zinc/20/38/17/166203817.db2.gz	HXAMVZGXBAQNOE-AWEZNQCLSA-N	1	0	197.281	3.416	50	30		AGEARO
C=CC[C@H]1CC=C[C@H](c2ccccc2)[NH2+]1	4187894	166204679	/nfs/dbraw/zinc/20/46/79/166204679.db2.gz	XEDAFXCBQWHDQW-UONOGXRCSA-N	1	0	199.297	3.222	50	30		AGEARO
C=CC[C@H]1CC=C[C@@H](c2ccccc2)[NH2+]1	4187903	166205432	/nfs/dbraw/zinc/20/54/32/166205432.db2.gz	XEDAFXCBQWHDQW-KBPBESRZSA-N	1	0	199.297	3.222	50	30	biogenic	AGEARO
C=CC[C@H]1CC=C[C@H](CCCC)[NH2+]1	19087627	166206099	/nfs/dbraw/zinc/20/60/99/166206099.db2.gz	ZNHVJAGXCZMYOE-RYUDHWBXSA-N	1	0	179.307	3.039	50	30		AGEARO
C=CC[Si](C)(C)[NH+](C(C)C)C(C)C	170154356	166207037	/nfs/dbraw/zinc/20/70/37/166207037.db2.gz	GSTVYECJWYQBKF-UHFFFAOYSA-N	1	0	199.414	3.496	50	30		AGEARO
C=C[C@@H]1CCC=C2CCCC[C@H]1[N@H+]2C	101036094	166215417	/nfs/dbraw/zinc/21/54/17/166215417.db2.gz	DRBGFVJMOQCZNC-DGCLKSJQSA-N	1	0	191.318	3.341	50	30		AGEARO
C=C[C@H]1CCC=C2CCCC[C@H]1[N@H+]2C	101036096	166220976	/nfs/dbraw/zinc/22/09/76/166220976.db2.gz	DRBGFVJMOQCZNC-WCQYABFASA-N	1	0	191.318	3.341	50	30		AGEARO
CCCCC#CC[NH2+]CCCCCC	2490421	166842665	/nfs/dbraw/zinc/84/26/65/166842665.db2.gz	BFBZFBRWOZBCIJ-UHFFFAOYSA-N	1	0	195.350	3.350	50	30		AGEARO
CCCCC/[NH+]=C\c1ccccc1	32163367	166847228	/nfs/dbraw/zinc/84/72/28/166847228.db2.gz	NNTVKFAXDYRERB-QBFSEMIESA-N	1	0	175.275	3.296	50	30		AGEARO
CCCCCCCC[C@H](C)[NH3+]	101041674	166850225	/nfs/dbraw/zinc/85/02/25/166850225.db2.gz	MQANMCFSNPBYCQ-JTQLQIEISA-N	1	0	157.301	3.084	50	30		AGEARO
CCCCCCCCSCC[NH3+]	100753349	166850262	/nfs/dbraw/zinc/85/02/62/166850262.db2.gz	AFDAEAPGJFMQOY-UHFFFAOYSA-N	1	0	189.368	3.039	50	30		AGEARO
CCCCCCCC[C@@H](C)[NH3+]	101041675	166851442	/nfs/dbraw/zinc/85/14/42/166851442.db2.gz	MQANMCFSNPBYCQ-SNVBAGLBSA-N	1	0	157.301	3.084	50	30		AGEARO
CCCCCCCC[S+](C)C	101451105	166851716	/nfs/dbraw/zinc/85/17/16/166851716.db2.gz	UNAHSAUEBCKSBD-UHFFFAOYSA-N	1	0	175.361	3.225	50	30		AGEARO
CCCCO[P+](=O)OCCCC	34065291	166910671	/nfs/dbraw/zinc/91/06/71/166910671.db2.gz	OSPSWZSRKYCQPF-UHFFFAOYSA-N	1	0	193.203	3.277	50	30		AGEARO
CC[P+]1(c2ccccc2)CCCC1	71775201	167713736	/nfs/dbraw/zinc/71/37/36/167713736.db2.gz	CXWCZXOTAWRHHB-UHFFFAOYSA-N	1	0	193.250	3.143	50	30		AGEARO
CCCCCCCCC[N+](C)(C)C	1995095	171003783	/nfs/dbraw/zinc/00/37/83/171003783.db2.gz	ZVFDPYZBJGKPII-UHFFFAOYSA-N	1	0	186.363	3.443	50	30	in-vitro	AGEARO
CCCCCCCCC[C@H](C)[NH3+]	2165163	171004612	/nfs/dbraw/zinc/00/46/12/171004612.db2.gz	NHBKWZCTSMCKDS-NSHDSACASA-N	1	0	171.328	3.474	50	30		AGEARO
CCCCCCCCC[C@@H](C)[NH3+]	2165161	171005049	/nfs/dbraw/zinc/00/50/49/171005049.db2.gz	NHBKWZCTSMCKDS-LLVKDONJSA-N	1	0	171.328	3.474	50	30		AGEARO
CCCCCCCCC[NH+](C)C	2510322	171006340	/nfs/dbraw/zinc/00/63/40/171006340.db2.gz	AMAADDMFZSZCNT-UHFFFAOYSA-N	1	0	171.328	3.299	50	30		AGEARO
CCCCCCCCC[NH2+]CCC#N	2528071	171006890	/nfs/dbraw/zinc/00/68/90/171006890.db2.gz	CAFGPNNBWKTIMV-UHFFFAOYSA-N	1	0	196.338	3.240	50	30	in-vitro	AGEARO
CCCCCCC#CC[NH2+]CCCC	3164032	171009230	/nfs/dbraw/zinc/00/92/30/171009230.db2.gz	MDZBTEZGNALHCQ-UHFFFAOYSA-N	1	0	195.350	3.350	50	30		AGEARO
CCCCCCCCCC[NH2+]C	100074846	171105490	/nfs/dbraw/zinc/10/54/90/171105490.db2.gz	IKVDMBQGHZVMRN-UHFFFAOYSA-N	1	0	171.328	3.347	50	30		AGEARO
CC(C)/[NH+]=C/c1ccc(Cl)cc1	71773851	171108490	/nfs/dbraw/zinc/10/84/90/171108490.db2.gz	ZOCJZUIYLKHYFJ-KPKJPENVSA-N	1	0	181.666	3.167	50	30		AGEARO
CC[n+]1c(N=[N+]=[N-])ccc2ccccc21	73817656	171112148	/nfs/dbraw/zinc/11/21/48/171112148.db2.gz	RWQMAQXMTPYKCZ-UHFFFAOYSA-N	1	0	199.237	3.089	50	30		AGEARO
CCCCCCCC[NH2+]CCC	100029667	171143343	/nfs/dbraw/zinc/14/33/43/171143343.db2.gz	BBFLXVFMAOURDU-UHFFFAOYSA-N	1	0	171.328	3.347	50	30		AGEARO
CCCCCCCCCC(N)=[NH2+]	1593726	171162871	/nfs/dbraw/zinc/16/28/71/171162871.db2.gz	UFTQDTTYVKSPGS-UHFFFAOYSA-N	1	0	170.300	3.063	50	30		AGEARO
CCCCCCCCCCC(N)=[NH2+]	2547538	171163374	/nfs/dbraw/zinc/16/33/74/171163374.db2.gz	VVWBLYNUPSHZOR-UHFFFAOYSA-N	1	0	184.327	3.453	50	30		AGEARO
C=CC(=C)C[C@H]([NH2+]C)c1ccccc1	4157109	171204650	/nfs/dbraw/zinc/20/46/50/171204650.db2.gz	BSRCEYPOWNXRKS-ZDUSSCGKSA-N	1	0	187.286	3.079	50	30		AGEARO
C=CC(=C)C[C@@H]([NH2+]C)c1ccccc1	4157110	171205200	/nfs/dbraw/zinc/20/52/00/171205200.db2.gz	BSRCEYPOWNXRKS-CYBMUJFWSA-N	1	0	187.286	3.079	50	30		AGEARO
CCCCCCCCCCC[NH3+]	1545437	342946562	/nfs/dbraw/zinc/94/65/62/342946562.db2.gz	QFKMMXYLAPZKIB-UHFFFAOYSA-N	1	0	171.328	3.476	50	30	in-vitro	AGEARO
CCCCCCCC[N+](C)(C)C	1627267	342953012	/nfs/dbraw/zinc/95/30/12/342953012.db2.gz	HTKPDYSCAPSXIR-UHFFFAOYSA-N	1	0	172.336	3.053	50	30	in-vitro	AGEARO
CCCCC#CC[NH+](C(C)C)C(C)C	1666134	342955545	/nfs/dbraw/zinc/95/55/45/342955545.db2.gz	IETGZXKUVBSVFK-UHFFFAOYSA-N	1	0	195.350	3.299	50	30		AGEARO
CCCC[NH+](CCCC)CCCC#N	1683519	342957928	/nfs/dbraw/zinc/95/79/28/342957928.db2.gz	VQPZLDJVFUXXGU-UHFFFAOYSA-N	1	0	196.338	3.192	50	30	in-vitro	AGEARO
C[NH+]=C(c1ccccc1)c1ccccc1	2391905	342972174	/nfs/dbraw/zinc/97/21/74/342972174.db2.gz	CCMGSLBRZVENEP-UHFFFAOYSA-N	1	0	195.265	3.154	50	30	in-vitro	AGEARO
CCCCCCCC[n+]1ccccc1	42784657	343249643	/nfs/dbraw/zinc/24/96/43/343249643.db2.gz	XDEQOBPALZZTCA-UHFFFAOYSA-N	1	0	192.326	3.335	50	30		AGEARO
CC[P+](CC)(CC)c1ccccc1	59683984	343346975	/nfs/dbraw/zinc/34/69/75/343346975.db2.gz	XCJFEKOLGRPMKQ-UHFFFAOYSA-N	1	0	195.266	3.389	50	30		AGEARO
C=CCCCCCCCCC[NH3+]	2541488	351310033	/nfs/dbraw/zinc/31/00/33/351310033.db2.gz	PYGHKJQHDXSHES-UHFFFAOYSA-N	1	0	169.312	3.252	50	30		AGEARO