smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1ccc(C(O)=CC=O)cc1	100619752	343718940	/nfs/dbraw/zinc/71/89/40/343718940.db2.gz	IRQYAUFMCHIQHI-BQYQJAHWSA-N	0	1	176.215	2.503	50	30	in-vitro	AFEAMN
C(#Cc1ccccc1)CN1CCCCC1	1240297	166044201	/nfs/dbraw/zinc/04/42/01/166044201.db2.gz	PJMAQEATSLLDCR-UHFFFAOYSA-N	0	1	199.297	2.524	50	30		AFEAMN
C=CCNCc1ccccc1Cl	6855935	166189175	/nfs/dbraw/zinc/18/91/75/166189175.db2.gz	NIPYYZYFRCKOKL-UHFFFAOYSA-N	0	1	181.666	2.616	50	30	in-vitro	AFEAMN
C=CCSC1=NC(C)(C)C=C(C)N1	4039872	166198418	/nfs/dbraw/zinc/19/84/18/166198418.db2.gz	SRQOZGZXFNFEPR-UHFFFAOYSA-N	0	1	196.319	2.547	50	30		AFEAMN
CC(C)c1ccc(C(O)=CC=O)cc1	101837645	166629343	/nfs/dbraw/zinc/62/93/43/166629343.db2.gz	NGIJJKCNSNMZLK-UHFFFAOYSA-N	0	1	190.242	2.582	50	30		AFEAMN
CSC(=N)Nc1cccc(C)c1C	16981559	168297291	/nfs/dbraw/zinc/29/72/91/168297291.db2.gz	RXROREOVXQSIAJ-UHFFFAOYSA-N	0	1	194.303	2.613	50	30		AFEAMN
O/N=C/c1cccc(C(F)(F)F)c1	4795568	169313951	/nfs/dbraw/zinc/31/39/51/169313951.db2.gz	GIONPAPDKZQLTK-LFYBBSHMSA-N	0	1	189.136	2.514	50	30	in-vitro	AFEAMN
O/N=C/c1c(Cl)cccc1Cl	4582627	169314343	/nfs/dbraw/zinc/31/43/43/169314343.db2.gz	YBSXDWIAUZOFFV-ONNFQVAWSA-N	0	1	190.029	2.802	50	30	in-vitro	AFEAMN
O/N=C/c1ccc(Cl)cc1Cl	4705953	169314345	/nfs/dbraw/zinc/31/43/45/169314345.db2.gz	ONJQBRVMFRQQIG-ONNFQVAWSA-N	0	1	190.029	2.802	50	30	in-vitro	AFEAMN
O/N=C/c1ccc(C(F)(F)F)cc1	1855603	169314507	/nfs/dbraw/zinc/31/45/07/169314507.db2.gz	MNDYDYTXPOFXLS-LFYBBSHMSA-N	0	1	189.136	2.514	50	30	in-vitro	AFEAMN
O/N=C\c1ccc(Cl)cc1Cl	100299958	169314941	/nfs/dbraw/zinc/31/49/41/169314941.db2.gz	ONJQBRVMFRQQIG-WMZJFQQLSA-N	0	1	190.029	2.802	50	30		AFEAMN
O/N=C\c1c(Cl)cccc1Cl	100067942	169315360	/nfs/dbraw/zinc/31/53/60/169315360.db2.gz	YBSXDWIAUZOFFV-WMZJFQQLSA-N	0	1	190.029	2.802	50	30		AFEAMN
[N-]=[N+]=Nc1ccc2nc[nH]c2c1	16948686	169469266	/nfs/dbraw/zinc/46/92/66/169469266.db2.gz	FLLNGOREBREUGQ-UHFFFAOYSA-N	0	1	159.152	2.505	50	30	in-vitro	AFEAMN
N#CCCN1CCCC2(CCCC2)C1	1894467	171003823	/nfs/dbraw/zinc/00/38/23/171003823.db2.gz	BJTPKCKLQOEFNU-UHFFFAOYSA-N	0	1	192.306	2.556	50	30		AFEAMN
N#CC=C(O)c1cccc2ccccc12	2579804	171008305	/nfs/dbraw/zinc/00/83/05/171008305.db2.gz	MBLQCEBCGPRVBB-UHFFFAOYSA-N	0	1	195.221	2.936	50	30		AFEAMN
N#CCC(=O)c1c(F)cccc1Cl	16159894	171030272	/nfs/dbraw/zinc/03/02/72/171030272.db2.gz	VABHMTVOJXTKAU-UHFFFAOYSA-N	0	1	197.596	2.575	50	30		AFEAMN
N#CC=C(O)c1ccc2c(c1)CCCC2	43215025	171087467	/nfs/dbraw/zinc/08/74/67/171087467.db2.gz	MMCQHIGQRVUVMS-UHFFFAOYSA-N	0	1	199.253	2.662	50	30	in-vitro	AFEAMN
O=C(C=CO)c1ccc(Cl)cc1	100471828	171144947	/nfs/dbraw/zinc/14/49/47/171144947.db2.gz	HUSXKTNWVOVXOI-AATRIKPKSA-N	0	1	182.606	2.594	50	30		AFEAMN
N#Cc1ccc(Nc2ccncc2)cc1	140396757	325623794	/nfs/dbraw/zinc/62/37/94/325623794.db2.gz	SIXJSNRPFGHLTB-UHFFFAOYSA-N	0	1	195.225	2.697	50	30		AFEAMN
Cc1nc2ccc(N=[N+]=[N-])cc2[nH]1	8385517	343018176	/nfs/dbraw/zinc/01/81/76/343018176.db2.gz	GVAIDMXMUTVEKJ-UHFFFAOYSA-N	0	1	173.179	2.813	50	30	in-vitro	AFEAMN
CC[C@H](C)c1nc2ccc(C#N)cc2[nH]1	67880270	343411451	/nfs/dbraw/zinc/41/14/51/343411451.db2.gz	IEMIGWPHOCREDN-QMMMGPOBSA-N	0	1	199.257	2.948	50	30		AFEAMN
N#CC=C(O)c1ccc2ccccc2c1	1700218	351295951	/nfs/dbraw/zinc/29/59/51/351295951.db2.gz	GTEKTBPHQPYBPS-UHFFFAOYSA-N	0	1	195.221	2.936	50	30		AFEAMN
CC[C@@H](C)c1nc2ccc(C#N)cc2[nH]1	67880268	351594375	/nfs/dbraw/zinc/59/43/75/351594375.db2.gz	IEMIGWPHOCREDN-MRVPVSSYSA-N	0	1	199.257	2.948	50	30		AFEAMN
ON=Cc1ccc(Cl)cc1Cl	242592229	351828032	/nfs/dbraw/zinc/82/80/32/351828032.db2.gz	ONJQBRVMFRQQIG-UHFFFAOYSA-N	0	1	190.029	2.802	50	30		AFEAMN
ON=Cc1c(Cl)cccc1Cl	254766820	487133597	/nfs/dbraw/zinc/13/35/97/487133597.db2.gz	YBSXDWIAUZOFFV-UHFFFAOYSA-N	0	1	190.029	2.802	50	30		AFEAMN