COc1cc(NS(=O)(=O)c2ccc(N)cc2)ncn1	ZINC000000049137	93/74/24/347937424	WMPXPUYPYQKQCX-UHFFFAOYSA-N	0	280.309	CC	0.868	1	Anodyne	mid	CCAAMN	COc1cc(NS(=O)(=O)c2ccc(N)cc2)ncn1	in-man
COc1cc(NS(=O)(=O)c2ccc(N)cc2)ncn1	ZINC000000049137	93/74/19/347937419	WMPXPUYPYQKQCX-UHFFFAOYSA-N	-1	280.309	CC	0.868	0	Anodyne	ref	CCAARM	COc1cc([N-]S(=O)(=O)c2ccc(N)cc2)ncn1	in-man
COc1ccc([N+](=O)[O-])cc1N/N=C(/C#N)C(N)=O	ZINC000000054674	93/72/10/347937210	ORGZYWAAMFJDHN-ZSOIEALJSA-N	-1	263.213	CC	0.38	3	Mild	high	CCEAHM	COc1ccc([N+](=O)[O-])cc1[N-]N=C(C#N)C(N)=O	 
COc1ccc([N+](=O)[O-])cc1N/N=C(/C#N)C(N)=O	ZINC000000054674	93/72/08/347937208	ORGZYWAAMFJDHN-ZSOIEALJSA-N	0	263.213	CC	0.38	0	Mild	ref	CCEARN	COc1ccc([N+](=O)[O-])cc1NN=C(C#N)C(N)=O	 
COc1cc(/C=N/NC(N)=S)c([N+](=O)[O-])cc1OC	ZINC000000068899	93/83/79/347938379	YQHFMQFTTFVZBA-LFYBBSHMSA-N	0	284.297	CC	0.779	0	Mild	ref	CCEARN	COc1cc(/C=N/NC(N)=S)c([N+](=O)[O-])cc1OC	 
O=C(O)C[C@@H]1C(=O)NCCN1CCCc1ccccc1	ZINC000000082267	93/83/42/347938342	DUANFASSZWBAOS-CYBMUJFWSA-N	0	276.336	CC	0.894	1	Anodyne	mid	CCAAMN	O=C([O-])C[C@@H]1C(=O)NCC[N@@H+]1CCCc1ccccc1	 
O=C(O)C[C@@H]1C(=O)NCCN1CCCc1ccccc1	ZINC000000082267	93/83/40/347938340	DUANFASSZWBAOS-CYBMUJFWSA-N	0	276.336	CC	0.894	1	Anodyne	mid	CCAAMN	O=C([O-])C[C@@H]1C(=O)NCC[N@H+]1CCCc1ccccc1	 
O=C(O)C[C@@H]1C(=O)NCCN1CCCc1ccccc1	ZINC000000082267	93/83/37/347938337	DUANFASSZWBAOS-CYBMUJFWSA-N	-1	276.336	CC	0.894	0	Anodyne	ref	CCAARM	O=C([O-])C[C@@H]1C(=O)NCCN1CCCc1ccccc1	 
O=C(O)C[C@H]1C(=O)NCCN1CCCc1ccccc1	ZINC000000082278	93/83/71/347938371	DUANFASSZWBAOS-ZDUSSCGKSA-N	0	276.336	CC	0.894	1	Anodyne	mid	CCAAMN	O=C([O-])C[C@H]1C(=O)NCC[N@@H+]1CCCc1ccccc1	 
O=C(O)C[C@H]1C(=O)NCCN1CCCc1ccccc1	ZINC000000082278	93/83/69/347938369	DUANFASSZWBAOS-ZDUSSCGKSA-N	0	276.336	CC	0.894	1	Anodyne	mid	CCAAMN	O=C([O-])C[C@H]1C(=O)NCC[N@H+]1CCCc1ccccc1	 
O=C(O)C[C@H]1C(=O)NCCN1CCCc1ccccc1	ZINC000000082278	93/83/65/347938365	DUANFASSZWBAOS-ZDUSSCGKSA-N	-1	276.336	CC	0.894	0	Anodyne	ref	CCAARM	O=C([O-])C[C@H]1C(=O)NCCN1CCCc1ccccc1	 
COc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)O	ZINC000000082331	93/80/86/347938086	XACYTACCRYOQML-LLVKDONJSA-N	0	278.308	CC	0.47	2	Anodyne	low	CCAALN	COc1ccccc1C[N@H+]1CCNC(=O)[C@H]1CC(=O)[O-]	 
COc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)O	ZINC000000082331	93/80/84/347938084	XACYTACCRYOQML-LLVKDONJSA-N	0	278.308	CC	0.47	2	Anodyne	low	CCAALN	COc1ccccc1C[N@@H+]1CCNC(=O)[C@H]1CC(=O)[O-]	 
COc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)O	ZINC000000082331	93/80/80/347938080	XACYTACCRYOQML-LLVKDONJSA-N	-1	278.308	CC	0.47	0	Anodyne	ref	CCAARM	COc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)[O-]	 
COc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)O	ZINC000000082338	93/81/02/347938102	XACYTACCRYOQML-NSHDSACASA-N	0	278.308	CC	0.47	2	Anodyne	low	CCAALN	COc1ccccc1C[N@H+]1CCNC(=O)[C@@H]1CC(=O)[O-]	 
COc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)O	ZINC000000082338	93/80/99/347938099	XACYTACCRYOQML-NSHDSACASA-N	0	278.308	CC	0.47	2	Anodyne	low	CCAALN	COc1ccccc1C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)[O-]	 
COc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)O	ZINC000000082338	93/80/97/347938097	XACYTACCRYOQML-NSHDSACASA-N	-1	278.308	CC	0.47	0	Anodyne	ref	CCAARM	COc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)[O-]	 
Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)O)cc1	ZINC000000082349	93/78/63/347937863	JFUFURNMLIXMKG-GFCCVEGCSA-N	0	262.309	CC	0.77	2	Anodyne	low	CCAALN	Cc1ccc(C[N@H+]2CCNC(=O)[C@H]2CC(=O)[O-])cc1	 
Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)O)cc1	ZINC000000082349	93/78/61/347937861	JFUFURNMLIXMKG-GFCCVEGCSA-N	0	262.309	CC	0.77	2	Anodyne	low	CCAALN	Cc1ccc(C[N@@H+]2CCNC(=O)[C@H]2CC(=O)[O-])cc1	 
Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)O)cc1	ZINC000000082349	93/78/52/347937852	JFUFURNMLIXMKG-GFCCVEGCSA-N	-1	262.309	CC	0.77	0	Anodyne	ref	CCAARM	Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)[O-])cc1	 
Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)O)cc1	ZINC000000082355	93/82/06/347938206	JFUFURNMLIXMKG-LBPRGKRZSA-N	0	262.309	CC	0.77	2	Anodyne	low	CCAALN	Cc1ccc(C[N@H+]2CCNC(=O)[C@@H]2CC(=O)[O-])cc1	 
Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)O)cc1	ZINC000000082355	93/82/05/347938205	JFUFURNMLIXMKG-LBPRGKRZSA-N	0	262.309	CC	0.77	2	Anodyne	low	CCAALN	Cc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(=O)[O-])cc1	 
Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)O)cc1	ZINC000000082355	93/82/02/347938202	JFUFURNMLIXMKG-LBPRGKRZSA-N	-1	262.309	CC	0.77	0	Anodyne	ref	CCAARM	Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)[O-])cc1	 
O=C(O)/C=C/C(=O)Nc1cc([N+](=O)[O-])ccc1O	ZINC000000116540	93/91/43/347939143	XSYPPKQCIDTBGR-ONEGZZNKSA-N	-1	252.182	CC	0.88	2	Bother	low	CCBALM	O=C([O-])/C=C/C(=O)Nc1cc([N+](=O)[O-])ccc1O	 
O=C(O)/C=C/C(=O)Nc1cc([N+](=O)[O-])ccc1O	ZINC000000116540	93/91/37/347939137	XSYPPKQCIDTBGR-ONEGZZNKSA-N	-2	252.182	CC	0.88	0	Bother	ref	CCBARL	O=C([O-])/C=C/C(=O)Nc1cc([N+](=O)[O-])ccc1[O-]	 
Nc1ccc(S(=O)(=O)Nc2nccs2)cc1	ZINC000000121458	62/31/90/411623190	JNMRHUJNCSQMMB-UHFFFAOYSA-N	0	255.324	CC	1.526	1	Anodyne	mid	CCAAMN	Nc1ccc(S(=O)(=O)Nc2nccs2)cc1	world
Nc1ccc(S(=O)(=O)Nc2nccs2)cc1	ZINC000000121458	62/31/78/411623178	JNMRHUJNCSQMMB-UHFFFAOYSA-N	-1	255.324	CC	1.526	0	Anodyne	ref	CCAARM	Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	world
COC(=O)CCC(=O)Nc1ccc(C(N)=O)cc1	ZINC000000125201	93/97/10/347939710	UZJKBFICTQSPHA-UHFFFAOYSA-N	0	250.254	CC	0.677	0	Anodyne	ref	CCAARN	COC(=O)CCC(=O)Nc1ccc(C(N)=O)cc1	 
COC(=O)CCC(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000000125232	93/96/03/347939603	MTKQNEFREWGOAG-UHFFFAOYSA-N	0	286.309	CC	0.226	0	Anodyne	ref	CCAARN	COC(=O)CCC(=O)Nc1ccc(S(N)(=O)=O)cc1	 
COC(=O)CCC(=O)Nc1ccccc1C(N)=O	ZINC000000125322	54/53/09/169545309	NOJBZGFOPSKQRS-UHFFFAOYSA-N	0	250.254	CC	0.677	0	Anodyne	ref	CCAARN	COC(=O)CCC(=O)Nc1ccccc1C(N)=O	 
NS(=O)(=O)c1ccc(NC(=O)CCC(=O)O)cc1	ZINC000000125445	54/52/17/169545217	RXXXPZYBZLDQKP-UHFFFAOYSA-N	-1	272.282	CC	0.137	0	Anodyne	ref	CCAARM	NS(=O)(=O)c1ccc(NC(=O)CCC(=O)[O-])cc1	in-man
CCN1C(=O)N(CC)[C@@H]2[C@@H]1N(C(C)=O)C(=O)N2C(C)=O	ZINC000000134165	24/95/77/279249577	HPGVPEBGABNICS-UWVGGRQHSA-N	0	282.3	CC	0.247	0	Anodyne	ref	CCAARN	CCN1C(=O)N(CC)[C@@H]2[C@@H]1N(C(C)=O)C(=O)N2C(C)=O	 
CCN1C(=O)N(CC)[C@H]2[C@H]1N(C(C)=O)C(=O)N2C(C)=O	ZINC000000134171	24/96/49/279249649	HPGVPEBGABNICS-NXEZZACHSA-N	0	282.3	CC	0.247	0	Anodyne	ref	CCAARN	CCN1C(=O)N(CC)[C@H]2[C@H]1N(C(C)=O)C(=O)N2C(C)=O	 
CC(=O)NS(=O)(=O)c1ccc(NC(=O)C2CC2)cc1	ZINC000000142548	93/97/16/347939716	QJFBJMPAGZRTQU-UHFFFAOYSA-N	-1	282.321	CC	0.86	0	Anodyne	ref	CCAARM	CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)C2CC2)cc1	 
CN1CCN(C(=O)[C@H]2CCCC[C@H]2C(=O)O)CC1	ZINC000000201631	02/55/06/290025506	XKZDSAVFHPKHNV-WDEREUQCSA-N	0	254.33	CC	0.651	1	Anodyne	mid	CCAAMN	C[NH+]1CCN(C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])CC1	 
CN1CCN(C(=O)[C@H]2CCCC[C@H]2C(=O)O)CC1	ZINC000000201631	02/55/05/290025505	XKZDSAVFHPKHNV-WDEREUQCSA-N	-1	254.33	CC	0.651	0	Anodyne	ref	CCAARM	CN1CCN(C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])CC1	 
CN1CCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)O)CC1	ZINC000000201637	01/97/81/290019781	XKZDSAVFHPKHNV-GHMZBOCLSA-N	0	254.33	CC	0.651	1	Anodyne	mid	CCAAMN	C[NH+]1CCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])CC1	 
CN1CCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)O)CC1	ZINC000000201637	01/97/77/290019777	XKZDSAVFHPKHNV-GHMZBOCLSA-N	-1	254.33	CC	0.651	0	Anodyne	ref	CCAARM	CN1CCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])CC1	 
CN1CCN(C(=O)[C@H]2CCCC[C@@H]2C(=O)O)CC1	ZINC000000201643	02/53/05/290025305	XKZDSAVFHPKHNV-QWRGUYRKSA-N	0	254.33	CC	0.651	1	Anodyne	mid	CCAAMN	C[NH+]1CCN(C(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])CC1	 
CN1CCN(C(=O)[C@H]2CCCC[C@@H]2C(=O)O)CC1	ZINC000000201643	02/53/04/290025304	XKZDSAVFHPKHNV-QWRGUYRKSA-N	-1	254.33	CC	0.651	0	Anodyne	ref	CCAARM	CN1CCN(C(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])CC1	 
CN1CCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)O)CC1	ZINC000000201649	02/00/59/290020059	XKZDSAVFHPKHNV-MNOVXSKESA-N	0	254.33	CC	0.651	1	Anodyne	mid	CCAAMN	C[NH+]1CCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])CC1	 
CN1CCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)O)CC1	ZINC000000201649	02/00/54/290020054	XKZDSAVFHPKHNV-MNOVXSKESA-N	-1	254.33	CC	0.651	0	Anodyne	ref	CCAARM	CN1CCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])CC1	 
NC(=S)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000000257035	61/29/32/279612932	IOKYPDHGVZKBSG-QDEBKDIKSA-N	0	268.254	CC	0.491	0	Mild	ref	CCEARN	NC(=S)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2	 
O=C1c2ccccc2C(=O)N1NC(=O)C(F)(F)F	ZINC000000257174	81/55/83/303815583	FEITYPUTYQMCSO-UHFFFAOYSA-N	-1	258.155	CC	0.876	0	Anodyne	ref	CCAARM	O=C1c2ccccc2C(=O)N1[N-]C(=O)C(F)(F)F	 
COc1cc(/C=N/NC(N)=S)ccc1OC(C)=O	ZINC000000288236	59/80/50/169598050	NPSRQVVZJVKHTM-AWNIVKPZSA-N	0	267.31	CC	0.788	0	Mild	ref	CCEARN	COc1cc(/C=N/NC(N)=S)ccc1OC(C)=O	 
CCC(=O)Nc1ccc(S(=O)(=O)NC(C)=O)cc1	ZINC000000357405	61/60/56/169616056	RIUVZKMAZOPTIA-UHFFFAOYSA-N	-1	270.31	CC	0.86	0	Anodyne	ref	CCAARM	CCC(=O)Nc1ccc(S(=O)(=O)[N-]C(C)=O)cc1	 
Cc1cc(C(=O)NN2C(=O)c3ccccc3C2=O)[nH]n1	ZINC000000357667	94/48/30/347944830	DLBRBSASFIOHFJ-UHFFFAOYSA-N	-1	270.248	CC	0.659	1	Anodyne	mid	CCAAMM	Cc1cc(C(=O)[N-]N2C(=O)c3ccccc3C2=O)n[nH]1	 
Cc1cc(C(=O)NN2C(=O)c3ccccc3C2=O)[nH]n1	ZINC000000357667	94/48/18/347944818	DLBRBSASFIOHFJ-UHFFFAOYSA-N	0	270.248	CC	0.659	0	Anodyne	ref	CCAARN	Cc1cc(C(=O)NN2C(=O)c3ccccc3C2=O)[nH]n1	 
CC(=O)Nc1ccc(N/N=C(/C(C)=O)C(N)=O)cc1	ZINC000000358663	94/46/52/347944652	RIHAVCSPXRTSNP-WJDWOHSUSA-N	0	262.269	CC	0.487	0	Mild	ref	CCEARN	CC(=O)Nc1ccc(NN=C(C(C)=O)C(N)=O)cc1	 
CCC(=O)NC(=S)Nc1ccc(S(N)(=O)=O)cc1	ZINC000000358858	94/62/26/281946226	MINZOXPPMXZLJA-UHFFFAOYSA-N	0	287.366	CC	0.557	0	Anodyne	ref	CCAARN	CCC(=O)NC(=S)Nc1ccc(S(N)(=O)=O)cc1	 
CS(=O)(=O)N1CCN(c2ccc(N)cc2)CC1	ZINC000000538892	95/01/19/347950119	DFLQDPGZILSRHW-UHFFFAOYSA-N	0	255.343	CC	0.35	0	Clean	ref	CCCARN	CS(=O)(=O)N1CCN(c2ccc(N)cc2)CC1	 
O=C1N=C(O)/C(=N/Nc2cccc(C(=O)O)c2)C(=O)N1	ZINC000000539988	94/98/94/347949894	HFNZTHIRQHQBDF-UHFFFAOYSA-N	-2	276.208	CC	0.359	2	Mild	low	CCEALL	O=C1[N-]C(=O)/C(=N\Nc2cccc(C(=O)[O-])c2)C(=O)N1	 
O=C1N=C(O)/C(=N/Nc2cccc(C(=O)O)c2)C(=O)N1	ZINC000000539988	94/98/89/347949889	HFNZTHIRQHQBDF-UHFFFAOYSA-N	-2	276.208	CC	0.359	2	Mild	low	CCEALL	O=C1[N-]C(=O)/C(=N/Nc2cccc(C(=O)[O-])c2)C(=O)N1	 
O=C1N=C(O)/C(=N/Nc2cccc(C(=O)O)c2)C(=O)N1	ZINC000000539988	94/98/85/347949885	HFNZTHIRQHQBDF-UHFFFAOYSA-N	-1	276.208	CC	0.359	2	Mild	low	CCEALM	O=C1NC(=O)C(=NNc2cccc(C(=O)[O-])c2)C(=O)N1	 
O=C1N=C(O)/C(=N/Nc2cccc(C(=O)O)c2)C(=O)N1	ZINC000000539988	94/98/78/347949878	HFNZTHIRQHQBDF-UHFFFAOYSA-N	-2	276.208	CC	0.359	0	Mild	ref	CCEARL	O=C1[N-]C(=O)C(=NNc2cccc(C(=O)[O-])c2)C(=O)N1	 
Cc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)O	ZINC000000556125	95/07/55/347950755	DOQDFWIQOVQQIL-GFCCVEGCSA-N	0	262.309	CC	0.77	1	Anodyne	mid	CCAAMN	Cc1ccccc1C[N@H+]1CCNC(=O)[C@H]1CC(=O)[O-]	 
Cc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)O	ZINC000000556125	95/07/53/347950753	DOQDFWIQOVQQIL-GFCCVEGCSA-N	0	262.309	CC	0.77	1	Anodyne	mid	CCAAMN	Cc1ccccc1C[N@@H+]1CCNC(=O)[C@H]1CC(=O)[O-]	 
Cc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)O	ZINC000000556125	95/07/51/347950751	DOQDFWIQOVQQIL-GFCCVEGCSA-N	-1	262.309	CC	0.77	0	Anodyne	ref	CCAARM	Cc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)[O-]	 
Cc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)O	ZINC000000556127	95/07/32/347950732	DOQDFWIQOVQQIL-LBPRGKRZSA-N	0	262.309	CC	0.77	1	Anodyne	mid	CCAAMN	Cc1ccccc1C[N@H+]1CCNC(=O)[C@@H]1CC(=O)[O-]	 
Cc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)O	ZINC000000556127	95/07/31/347950731	DOQDFWIQOVQQIL-LBPRGKRZSA-N	0	262.309	CC	0.77	1	Anodyne	mid	CCAAMN	Cc1ccccc1C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)[O-]	 
Cc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)O	ZINC000000556127	95/07/29/347950729	DOQDFWIQOVQQIL-LBPRGKRZSA-N	-1	262.309	CC	0.77	0	Anodyne	ref	CCAARM	Cc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)[O-]	 
COC(=O)C[C@@H]1C(=O)NCCN1C(=O)OC(C)(C)C	ZINC000000556175	95/07/12/347950712	IEIGHVVRJBQGSY-MRVPVSSYSA-N	0	272.301	CC	0.285	0	Anodyne	ref	CCAARN	COC(=O)C[C@@H]1C(=O)NCCN1C(=O)OC(C)(C)C	 
COC(=O)C[C@H]1C(=O)NCCN1C(=O)OC(C)(C)C	ZINC000000556176	95/03/63/347950363	IEIGHVVRJBQGSY-QMMMGPOBSA-N	0	272.301	CC	0.285	0	Anodyne	ref	CCAARN	COC(=O)C[C@H]1C(=O)NCCN1C(=O)OC(C)(C)C	 
CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)O)cc1	ZINC000000556193	95/06/81/347950681	UFAPTAYBYWFFKM-CYBMUJFWSA-N	0	292.335	CC	0.86	2	Anodyne	low	CCAALN	CCOc1ccc(C[N@H+]2CCNC(=O)[C@H]2CC(=O)[O-])cc1	 
CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)O)cc1	ZINC000000556193	95/06/80/347950680	UFAPTAYBYWFFKM-CYBMUJFWSA-N	0	292.335	CC	0.86	2	Anodyne	low	CCAALN	CCOc1ccc(C[N@@H+]2CCNC(=O)[C@H]2CC(=O)[O-])cc1	 
CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)O)cc1	ZINC000000556193	95/06/78/347950678	UFAPTAYBYWFFKM-CYBMUJFWSA-N	-1	292.335	CC	0.86	0	Anodyne	ref	CCAARM	CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)[O-])cc1	 
CCOc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)O)cc1	ZINC000000556195	95/03/58/347950358	UFAPTAYBYWFFKM-ZDUSSCGKSA-N	0	292.335	CC	0.86	2	Anodyne	low	CCAALN	CCOc1ccc(C[N@H+]2CCNC(=O)[C@@H]2CC(=O)[O-])cc1	 
CCOc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)O)cc1	ZINC000000556195	95/03/55/347950355	UFAPTAYBYWFFKM-ZDUSSCGKSA-N	0	292.335	CC	0.86	2	Anodyne	low	CCAALN	CCOc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(=O)[O-])cc1	 
CCOc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)O)cc1	ZINC000000556195	95/03/48/347950348	UFAPTAYBYWFFKM-ZDUSSCGKSA-N	-1	292.335	CC	0.86	0	Anodyne	ref	CCAARM	CCOc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)[O-])cc1	 
COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccc(F)cc1	ZINC000000556251	95/07/97/347950797	LABXQKPQFSMXPS-NSHDSACASA-N	0	294.282	CC	0.329	0	Anodyne	ref	CCAARN	COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccc(F)cc1	 
COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccc(F)cc1	ZINC000000556252	95/07/66/347950766	LABXQKPQFSMXPS-LLVKDONJSA-N	0	294.282	CC	0.329	0	Anodyne	ref	CCAARN	COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccc(F)cc1	 
COc1ccc(CC(=O)NC(=S)N2CCOCC2)cc1	ZINC000000587219	67/33/89/169673389	NDJCCYZODBGVEI-UHFFFAOYSA-N	0	294.376	CC	0.971	0	Anodyne	ref	CCAARN	COc1ccc(CC(=O)NC(=S)N2CCOCC2)cc1	 
COc1ccc([N+](=O)[O-])cc1N/N=C(/C(C)=O)C(N)=O	ZINC000000587975	95/04/28/347950428	SUDKKBNIXBIWQB-UVTDQMKNSA-N	-1	280.24	CC	0.446	3	Mild	high	CCEAHM	COc1ccc([N+](=O)[O-])cc1[N-]N=C(C(C)=O)C(N)=O	 
COc1ccc([N+](=O)[O-])cc1N/N=C(/C(C)=O)C(N)=O	ZINC000000587975	95/04/24/347950424	SUDKKBNIXBIWQB-UVTDQMKNSA-N	0	280.24	CC	0.446	1	Mild	mid	CCEAMN	COc1ccc([N+](=O)[O-])cc1NN=C(C(C)=O)C(N)=O	 
COc1ccc([N+](=O)[O-])cc1N/N=C(/C(C)=O)C(N)=O	ZINC000000587975	95/04/16/347950416	SUDKKBNIXBIWQB-UVTDQMKNSA-N	0	280.24	CC	0.446	0	Mild	ref	CCEARN	COc1ccc([N+](=O)[O-])cc1N=NC(C(C)=O)C(N)=O	 
COc1cc(S(=O)(=O)N2CCOCC2)ccc1N	ZINC000000615023	95/17/07/347951707	KZIPUYQHEQYYPR-UHFFFAOYSA-N	0	272.326	CC	0.298	0	Anodyne	ref	CCAARN	COc1cc(S(=O)(=O)N2CCOCC2)ccc1N	 
CC(=O)NC(=S)Nc1ccc(S(N)(=O)=O)cc1	ZINC000000615325	07/81/59/278078159	WLDRMKNHJPYWFK-UHFFFAOYSA-N	0	273.339	CC	0.167	0	Anodyne	ref	CCAARN	CC(=O)NC(=S)Nc1ccc(S(N)(=O)=O)cc1	 
Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1	ZINC000000874830	95/26/85/347952685	OJMPLCRVIRCWAV-SNVBAGLBSA-N	0	256.327	CC	0.726	0	Anodyne	ref	CCAARN	Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1	 
Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1	ZINC000000874832	95/20/90/347952090	OJMPLCRVIRCWAV-JTQLQIEISA-N	0	256.327	CC	0.726	0	Anodyne	ref	CCAARN	Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1	 
CC(=O)NC(=S)Nn1c(C)cc(C)c(C#N)c1=O	ZINC000001236193	69/25/09/169692509	SYDDNJFRSHUGBP-UHFFFAOYSA-N	0	264.31	CC	0.301	0	Mild	ref	CCEARN	CC(=O)NC(=S)Nn1c(C)cc(C)c(C#N)c1=O	 
O=C(O)C[C@@H]1C(=O)NCCN1Cc1ccc(F)cc1	ZINC000001236585	95/33/14/347953314	SCEUAHLNMWSZJE-LLVKDONJSA-N	0	266.272	CC	0.601	2	Anodyne	low	CCAALN	O=C([O-])C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(F)cc1	 
O=C(O)C[C@@H]1C(=O)NCCN1Cc1ccc(F)cc1	ZINC000001236585	95/33/11/347953311	SCEUAHLNMWSZJE-LLVKDONJSA-N	0	266.272	CC	0.601	2	Anodyne	low	CCAALN	O=C([O-])C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(F)cc1	 
O=C(O)C[C@@H]1C(=O)NCCN1Cc1ccc(F)cc1	ZINC000001236585	95/33/08/347953308	SCEUAHLNMWSZJE-LLVKDONJSA-N	-1	266.272	CC	0.601	0	Anodyne	ref	CCAARM	O=C([O-])C[C@@H]1C(=O)NCCN1Cc1ccc(F)cc1	 
O=C(O)C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1	ZINC000001236587	95/34/29/347953429	SCEUAHLNMWSZJE-NSHDSACASA-N	0	266.272	CC	0.601	2	Anodyne	low	CCAALN	O=C([O-])C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(F)cc1	 
O=C(O)C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1	ZINC000001236587	95/34/25/347953425	SCEUAHLNMWSZJE-NSHDSACASA-N	0	266.272	CC	0.601	2	Anodyne	low	CCAALN	O=C([O-])C[C@H]1C(=O)NCC[N@H+]1Cc1ccc(F)cc1	 
O=C(O)C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1	ZINC000001236587	95/34/22/347953422	SCEUAHLNMWSZJE-NSHDSACASA-N	-1	266.272	CC	0.601	0	Anodyne	ref	CCAARM	O=C([O-])C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1	 
O=C(O)C[C@@H]1C(=O)NCCN1Cc1cccs1	ZINC000001236610	95/34/71/347953471	CVBURXPBIHMVKR-SECBINFHSA-N	0	254.311	CC	0.523	2	Anodyne	low	CCAALN	O=C([O-])C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccs1	 
O=C(O)C[C@@H]1C(=O)NCCN1Cc1cccs1	ZINC000001236610	95/34/68/347953468	CVBURXPBIHMVKR-SECBINFHSA-N	0	254.311	CC	0.523	2	Anodyne	low	CCAALN	O=C([O-])C[C@@H]1C(=O)NCC[N@H+]1Cc1cccs1	 
O=C(O)C[C@@H]1C(=O)NCCN1Cc1cccs1	ZINC000001236610	95/34/67/347953467	CVBURXPBIHMVKR-SECBINFHSA-N	-1	254.311	CC	0.523	0	Anodyne	ref	CCAARM	O=C([O-])C[C@@H]1C(=O)NCCN1Cc1cccs1	 
O=C(O)C[C@H]1C(=O)NCCN1Cc1cccs1	ZINC000001236612	95/33/23/347953323	CVBURXPBIHMVKR-VIFPVBQESA-N	0	254.311	CC	0.523	2	Anodyne	low	CCAALN	O=C([O-])C[C@H]1C(=O)NCC[N@@H+]1Cc1cccs1	 
O=C(O)C[C@H]1C(=O)NCCN1Cc1cccs1	ZINC000001236612	95/33/22/347953322	CVBURXPBIHMVKR-VIFPVBQESA-N	0	254.311	CC	0.523	2	Anodyne	low	CCAALN	O=C([O-])C[C@H]1C(=O)NCC[N@H+]1Cc1cccs1	 
O=C(O)C[C@H]1C(=O)NCCN1Cc1cccs1	ZINC000001236612	95/33/20/347953320	CVBURXPBIHMVKR-VIFPVBQESA-N	-1	254.311	CC	0.523	0	Anodyne	ref	CCAARM	O=C([O-])C[C@H]1C(=O)NCCN1Cc1cccs1	 
Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)O)o1	ZINC000001236656	95/31/97/347953197	WZNUTYXPWKUFMM-SNVBAGLBSA-N	0	252.27	CC	0.363	2	Anodyne	low	CCAALN	Cc1ccc(C[N@H+]2CCNC(=O)[C@H]2CC(=O)[O-])o1	 
Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)O)o1	ZINC000001236656	95/31/95/347953195	WZNUTYXPWKUFMM-SNVBAGLBSA-N	0	252.27	CC	0.363	2	Anodyne	low	CCAALN	Cc1ccc(C[N@@H+]2CCNC(=O)[C@H]2CC(=O)[O-])o1	 
Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)O)o1	ZINC000001236656	95/31/92/347953192	WZNUTYXPWKUFMM-SNVBAGLBSA-N	-1	252.27	CC	0.363	0	Anodyne	ref	CCAARM	Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)[O-])o1	 
Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)O)o1	ZINC000001236658	95/32/81/347953281	WZNUTYXPWKUFMM-JTQLQIEISA-N	0	252.27	CC	0.363	2	Anodyne	low	CCAALN	Cc1ccc(C[N@H+]2CCNC(=O)[C@@H]2CC(=O)[O-])o1	 
Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)O)o1	ZINC000001236658	95/32/80/347953280	WZNUTYXPWKUFMM-JTQLQIEISA-N	0	252.27	CC	0.363	2	Anodyne	low	CCAALN	Cc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(=O)[O-])o1	 
Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)O)o1	ZINC000001236658	95/32/77/347953277	WZNUTYXPWKUFMM-JTQLQIEISA-N	-1	252.27	CC	0.363	0	Anodyne	ref	CCAARM	Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)[O-])o1	 
CNC(=O)c1ccccc1NC(=O)CCC(=O)O	ZINC000001558557	71/40/69/169714069	JPDKXUJGAHNPTE-UHFFFAOYSA-N	-1	250.254	CC	0.849	0	Anodyne	ref	CCAARM	CNC(=O)c1ccccc1NC(=O)CCC(=O)[O-]	 
CC(C)(C)OC(=O)N[C@H](CCCCNC=O)C(=O)O	ZINC000001576168	95/73/41/347957341	QYCPNUMTVZBTMM-SECBINFHSA-N	-1	274.317	CC	0.881	0	Anodyne	ref	CCAARM	CC(C)(C)OC(=O)N[C@H](CCCCNC=O)C(=O)[O-]