smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Cc1ccccc1Nc1ccc(N[C@H](C)CC(C)C)cc1	38612057	UGEKKEKKHURDQF-MRXNPFEDSA-N	282.431	5.585	10	30	CKCC	
CCOc1ccc(/N=N/c2ccc(N(CC)CC)cc2)cc1	111391788	AYKNBEUSHQHYSX-FMQUCBEESA-N	297.402	5.347	10	30	CKCC	
CC(C)CC[C@H](C)Nc1ccc(Nc2ccccc2)cc1	5138241	UHJVLUYSDYOULM-INIZCTEOSA-N	282.431	5.667	10	30	CKCC	
Cc1ccccc1/N=N/c1ccc(O)c2ccccc12	111385440	PYFMJAMMVDSYFT-VHEBQXMUSA-N	262.312	5.269	10	30	CKCC	
Cc1cccc(Nc2ccc(/N=N/c3ccccc3)cc2)c1	83329036	ZVGJKUHDXJNCHH-QURGRASLSA-N	287.366	6.154	10	30	CKCC	
CC(C)(C)CC(C)(C)/N=N/C(C)(C)CC(C)(C)C	5351869	WPKWPKDNOPEODE-ISLYRVAYSA-N	254.462	5.868	10	30	CKCC	
CCN(CC)c1ccc(-c2nc3ccc(C)cc3s2)cc1	5316455	YEMJQXMSJPHNFJ-UHFFFAOYSA-N	296.439	5.118	10	30	CKCC	
Cc1ncc(N=Nc2ccc(Cl)cc2)c(-c2ccco2)n1	2265278966	LZZVDDKXYLHNGW-UHFFFAOYSA-N	298.733	5.114	10	30	CKCC	
Cc1cc(N(C)C)ccc1/N=N/c1cccc2ncccc12	5419609	ITOZCFPNONFYRH-QZQOTICOSA-N	290.370	5.025	10	30	CKCC	
Nc1ccc(Oc2ccccc2C2CCCCC2)cc1	5162241	PLVQWNLOOHOANK-UHFFFAOYSA-N	267.372	5.109	10	30	CKCC	
Oc1ccc(-c2ccccc2)cc1N=Nc1ccccc1	254627762	DGAHOTBNVZXWOG-UHFFFAOYSA-N	274.323	5.475	10	30	CKCC	
Cc1ccc(C)c(/N=N/c2c(O)ccc3ccccc23)c1	3875593	VUSAIZBVVMZCCH-FMQUCBEESA-N	276.339	5.578	10	30	CKCC	endogenous,in-man
Nc1ccc(Oc2ccc(C3CCCCC3)cc2)cc1	5161847	LJKWNYNPDQDKSX-UHFFFAOYSA-N	267.372	5.109	10	30	CKCC	
C[C@@H](Nc1ccc(Nc2ccccc2)cc1)c1ccccc1	114362175	RRUHMDSGRHUALW-MRXNPFEDSA-N	288.394	5.603	10	30	CKCC	
CCCCN1CCCc2cc(/N=N/c3ccccc3)ccc21	4360831	OIFPSADNVSVTKM-QZQOTICOSA-N	293.414	5.655	10	30	CKCC	
Cc1cccc(/N=N/c2c(O)ccc3ccccc23)c1C	6071644	OZIPZYGKCQRLKN-FMQUCBEESA-N	276.339	5.578	10	30	CKCC	
Cc1cnc2cccc(/N=N/c3ccc(N(C)C)cc3)c2c1	5419718	DRUGECURTHTRMQ-QZQOTICOSA-N	290.370	5.025	10	30	CKCC	
Cc1ccc(Nc2ccc(N[C@@H](C)CC(C)C)cc2)cc1	5419867	BRHHHNJIRNMRFM-INIZCTEOSA-N	282.431	5.585	10	30	CKCC	
c1ccc2cc(N=Nc3cccc4ccccc34)ccc2c1	256271375	INTYTLPOFHZKQE-UHFFFAOYSA-N	282.346	6.408	10	30	CKCC	
C[C@H](Nc1ccc(Nc2ccccc2)cc1)c1ccccc1	114362178	RRUHMDSGRHUALW-INIZCTEOSA-N	288.394	5.603	10	30	CKCC	
C[N+](C)(C)c1ccc(/C=C\C=C\C=C\c2ccccc2)cc1	71792258	RHDOPAJODJADMB-KNSNITAKSA-N	290.430	5.166	10	30	CKCC	
c1ccc2nc(/N=N/c3ccc4ccccc4n3)ccc2c1	4343721	ZAFQJJHRAORSEQ-QURGRASLSA-N	284.322	5.198	10	30	CKCC	
Cc1ccc(Nc2ccc(N[C@H](C)CC(C)C)cc2)cc1	5419875	BRHHHNJIRNMRFM-MRXNPFEDSA-N	282.431	5.585	10	30	CKCC	
Cc1ccccc1Nc1ccc(N[C@@H](C)CC(C)C)cc1	38612056	UGEKKEKKHURDQF-INIZCTEOSA-N	282.431	5.585	10	30	CKCC	
Clc1ccccc1/N=N/c1ccccc1Cl	4738307	FIQUJBRQBIUISO-FOCLMDBBSA-N	251.116	5.409	10	30	CKCC	
COc1c(C)cccc1/N=N/c1c(O)ccc2ccccc12	38611024	VGUGDECVOLBDTH-FMQUCBEESA-N	292.338	5.278	10	30	CKCC	
Oc1ccc(/N=N/c2cccc3ccccc23)c2ccccc12	100053318	NSWKKBKROCMOHA-QURGRASLSA-N	298.345	6.114	10	30	CKCC	
CCCN1CCCc2cc(/N=N/c3ccc(C)cc3)ccc21	4344349	ZVYNENOEWMIQOT-QZQOTICOSA-N	293.414	5.573	10	30	CKCC	
N#[N+]c1ccc(/N=N/c2ccccc2)c2ccccc12	6095694	ZCOCPHJHCPFENN-FMQUCBEESA-N	259.292	5.740	10	30	CKCC	
Cc1cc(/N=N/c2cccc(C(F)(F)F)c2)ccc1N	4300432	ULEZQVYLHILFGZ-FMQUCBEESA-N	279.265	5.011	10	30	CKCC	
CN(C)c1cccc(/N=N/c2c(O)ccc3ccccc23)c1	38171731	LBPZLPFTWAMSSI-FMQUCBEESA-N	291.354	5.027	10	30	CKCC	
CCOc1ccc(/N=N/c2ccc3ccccc3c2O)cc1	38796299	VAZSTSILCJFPMW-FMQUCBEESA-N	292.338	5.360	10	30	CKCC	
CC(C)CC[C@@H](C)Nc1ccc(Nc2ccccc2)cc1	5138238	UHJVLUYSDYOULM-MRXNPFEDSA-N	282.431	5.667	10	30	CKCC	
Oc1ccc2ccccc2c1/N=N/c1cccc(Cl)c1	100349652	VOHUMYRTYPGHSH-VHEBQXMUSA-N	282.730	5.614	10	30	CKCC	
Cc1ccc(/N=N/C=C2/N(C)c3ccccc3C2(C)C)cc1	111401028	QVORMTIMKWYLIM-KXNKKEQVSA-N	291.398	5.348	10	30	CKCC