smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
BBBBBBBBBB1C=C1Cc1ccc(O)cc1	225012278	IVWNSTADYQVPIU-UHFFFAOYSA-N	250.362	-4.610	70	50	CAIA	
O=C(CCn1ccc(=O)[nH]c1=O)N[C@@H]1COCC[C@H]1O	218000862	VWWDISKHSRDIJM-RKDXNWHRSA-N	283.284	-1.807	70	50	CAIA	
CNC[C@H]1CCCN1C(=O)Cn1ccc(=O)n(C)c1=O	161310111	CTQLQIYTBJYXMD-SNVBAGLBSA-N	280.328	-1.243	70	50	CAIA	
NC(=O)CO[C@H]1CCOC[C@H]1NC(=O)CN1CCCC1=O	218251970	VFNGXUQFANDAML-ZJUUUORDSA-N	299.327	-1.616	70	50	CAIA	
O=C(Cc1c[nH]c(=O)[nH]c1=O)NC[C@@H]1C[C@H](F)CN1	217137994	ZFFCWNTUAZHJHT-YUMQZZPRSA-N	270.264	-1.578	70	50	CAIA	
O=C(CN1CC(=O)NC1=O)NCc1nnc2n1CCCC2	218412503	OPTQLBYGARLJER-UHFFFAOYSA-N	292.299	-1.218	70	50	CAIA	
Cc1nc2c(c(=O)[nH]1)CCN(C(=O)Cn1cnnn1)CC2	217871128	SHULVNHJWGTSAY-UHFFFAOYSA-N	289.299	-1.308	70	50	CAIA	
Cc1nc2c(c(=O)n1C)CN(C(=O)[C@@H](N)CO)C2	217947871	IYGIVFYFDCVJRA-QMMMGPOBSA-N	252.274	-1.749	70	50	CAIA	
CN(Cc1nnc2n1CCNC2=O)S(=O)(=O)F	1875374088	ZWIGFFYWKLZLNB-UHFFFAOYSA-N	263.254	-1.332	70	50	CAIA	
CNC[C@@H]1CCCN1C(=O)Cn1ccc(=O)n(C)c1=O	161309994	CTQLQIYTBJYXMD-JTQLQIEISA-N	280.328	-1.243	70	50	CAIA	
CN(C[C@@H]1COCCO1)C(=O)Cc1c[nH]c(=O)n(C)c1=O	217140428	JOGVWWHLUGEZNK-SNVBAGLBSA-N	297.311	-1.510	70	50	CAIA	
Oc1ccc(C/C2=C/BBBBBBBBBB2)cc1	169805859	LFZPAQVEVDLTCW-VURMDHGXSA-N	250.362	-4.610	70	50	CAIA	
Cc1nc([C@H](C)NC(=O)Cc2c[nH]c(=O)n(C)c2=O)n[nH]1	217670150	OUUBFVFISQYPIK-LURJTMIESA-N	292.299	-1.080	70	50	CAIA	
Cc1nnn(CC(=O)NCCCS(=O)(=O)F)n1	2325887684	SLIBKVSITABVIX-UHFFFAOYSA-N	265.270	-1.213	70	50	CAIA	
Cn1c(=O)[nH]cc(CC(=O)N2CCc3n[nH]cc3C2)c1=O	216931799	BXKORWWBKAAEHH-UHFFFAOYSA-N	289.295	-1.076	70	50	CAIA	
CC(=O)N[C@@H]1[C@@H](NC(=O)c2c[nH]c(=O)[nH]2)[C@H]2CCO[C@H]21	218658500	IRYULLAQAYZKIL-XCWAXFADSA-N	280.284	-1.275	70	50	CAIA	
CS(=O)(=O)NC1CCN(C(=O)c2c[nH]c(=O)[nH]2)CC1	218050599	OFHIQJWFGGYDEH-UHFFFAOYSA-N	288.329	-1.143	70	50	CAIA	
Cc1nc([C@@H](C)NC(=O)Cc2c[nH]c(=O)n(C)c2=O)n[nH]1	217670064	OUUBFVFISQYPIK-ZCFIWIBFSA-N	292.299	-1.080	70	50	CAIA	
NC(=O)NCC(=O)N[C@@H]1CCOC[C@H]1OCCO	218648837	BSUAFHHZXSCZJH-HTQZYQBOSA-N	261.278	-2.063	70	50	CAIA	
O=C1CN(CC(=O)N2CCc3n[nH]cc3C2)C(=O)N1	217040920	YGBZOKYHIVJPEK-UHFFFAOYSA-N	263.257	-1.154	70	50	CAIA	
Cn1c(=O)[nH]cc(CC(=O)NCC2(C)COC2)c1=O	217755187	NQLSKOMOKSQOKN-UHFFFAOYSA-N	267.285	-1.231	70	50	CAIA	
Cn1nc(C(=O)N[C@@H]2CCOC[C@H]2OCCO)ccc1=O	218575974	XVVCDHUNVYBTSC-MWLCHTKSSA-N	297.311	-1.324	70	50	CAIA	
CN(C[C@H]1COCCO1)C(=O)Cc1c[nH]c(=O)n(C)c1=O	217140438	JOGVWWHLUGEZNK-JTQLQIEISA-N	297.311	-1.510	70	50	CAIA