smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]([NH3+])C#Cc1cnc(Oc2ccc(Oc3ccccc3)cc2)s1 ZINC000053151250 214165761 /nfs/dbraw/zinc/16/57/61/214165761.db2.gz XVFLFMHZTBIKTC-CQSZACIVSA-N 1 0 336.416 4.426 1 30 EIEFRO C[NH+](C)C1CSC(C#N)(c2c(Cl)cccc2Cl)SC1 ZINC000103190057 204066662 /nfs/dbraw/zinc/06/66/62/204066662.db2.gz JRMVKJVJSREYRE-UHFFFAOYSA-N 1 0 333.309 4.080 1 30 EIEFRO C[NH+](C)C12C/C(=N\O)C([C@H](c3ccccc3)C1)[C@H](c1ccccc1)C2 ZINC000036377600 202323577 /nfs/dbraw/zinc/32/35/77/202323577.db2.gz DNCKKEOERMCILA-MQUSBPQFSA-N 1 0 334.463 4.498 1 30 EIEFRO CNc1ccc(C#CCC[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000003827655 210078986 /nfs/dbraw/zinc/07/89/86/210078986.db2.gz LQHMXMOZTNJDHD-UHFFFAOYSA-N 1 0 332.491 4.425 1 30 EIEFRO COc1ccc(C=NNc2cc(C)[nH+]c3ccc(C)cc23)c(OC)c1 ZINC000033932495 202271642 /nfs/dbraw/zinc/27/16/42/202271642.db2.gz MFXAJPQMCYOPOU-MTJSOVHGSA-N 1 0 335.407 4.315 1 30 EIEFRO CC(C)(C)n1ccnc1NC(=[NH2+])Nc1ccc(Cl)c(Cl)c1 ZINC000072118055 203164200 /nfs/dbraw/zinc/16/42/00/203164200.db2.gz OZSUMLITJGOBMI-UHFFFAOYSA-N 1 0 326.231 4.003 1 30 EIEFRO O=C1CC2(CC[NH+](Cc3ccccc3)CC2)OC=C1c1ccccc1 ZINC000026296722 202141716 /nfs/dbraw/zinc/14/17/16/202141716.db2.gz UOOUMAXCOWCDOB-UHFFFAOYSA-N 1 0 333.431 4.052 1 30 EIEFRO CO/N=C1\C[C@@H](c2cccc(F)c2)[NH2+][C@@H](c2cccc(F)c2)[C@@H]1C ZINC000073404061 203264796 /nfs/dbraw/zinc/26/47/96/203264796.db2.gz GMVCOPOVRHWYFE-NZIXVOHUSA-N 1 0 330.378 4.379 1 30 EIEFRO COc1ccccc1/C=C1\CC[C@](Cc2ccccc2)(C[NH+](C)C)C1=O ZINC000013904794 201921415 /nfs/dbraw/zinc/92/14/15/201921415.db2.gz SHTLGOAJZBZPOV-FIWMFUAISA-N 1 0 349.474 4.232 1 30 EIEFRO C[N@H+]1[C@@H]2CC[C@H]1CC(Oc1ccc(C#N)cc1)(c1ccc(F)cc1)C2 ZINC000028875989 202179092 /nfs/dbraw/zinc/17/90/92/202179092.db2.gz VYWBQSPRDTZVQD-PMSBKCLSSA-N 1 0 336.410 4.228 1 30 EIEFRO Cc1nc(Oc2ccc3c(c2)CC[N@H+](C2CCC2)CC3)ccc1C#N ZINC000103243316 204068995 /nfs/dbraw/zinc/06/89/95/204068995.db2.gz OKLSHSUVFJAFAO-UHFFFAOYSA-N 1 0 333.435 4.007 1 30 EIEFRO CC1=CC[C@H]2[C@H](C1)c1c(O)cc(CC#CCCC[NH3+])cc1OC2(C)C ZINC000027750192 212576417 /nfs/dbraw/zinc/57/64/17/212576417.db2.gz FOTUIMIDQCPQEW-ROUUACIJSA-N 1 0 339.479 4.288 1 30 EIEFRO C[C@H]1C(=O)/C=C/C(C)(C)C[C@@H]2O[C@]2(C)CC[C@H]1[NH2+]Cc1ccccc1 ZINC000101677880 204018814 /nfs/dbraw/zinc/01/88/14/204018814.db2.gz PYTYZEOZZHQWSA-GIGYYXDQSA-N 1 0 341.495 4.274 1 30 EIEFRO C[C@@H]1C[C@]2(C)C(=NCC[NH3+])Nc3ccccc3[C@@H]2N(C)c2ccccc21 ZINC000031853840 202211052 /nfs/dbraw/zinc/21/10/52/202211052.db2.gz VBCPDQACTONVNF-PDXHDDNESA-N 1 0 348.494 4.160 1 30 EIEFRO CO[C@]1(C#CC(C)(c2ccccc2)c2ccccc2)C[NH+]2CCC1CC2 ZINC000029047053 212650222 /nfs/dbraw/zinc/65/02/22/212650222.db2.gz QUEZQOMBHXIFLS-XMMPIXPASA-N 1 0 345.486 4.107 1 30 EIEFRO C[NH+](C)C1CSC(C#N)(c2cc(Cl)cc(Cl)c2)SC1 ZINC000103191933 204065702 /nfs/dbraw/zinc/06/57/02/204065702.db2.gz GHQXBUZLXUIAJJ-UHFFFAOYSA-N 1 0 333.309 4.080 1 30 EIEFRO CC(=O)O[C@H]1CCCc2ccc(/[NH+]=C/N3CCc4ccccc4C3)cc21 ZINC000101103224 219116126 /nfs/dbraw/zinc/11/61/26/219116126.db2.gz ASMHEURTLBOCKH-GQBVICOWSA-N 1 0 348.446 4.345 1 30 EIEFRO C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cccc(N=[N+]=[N-])c2)C1C(=O)OC ZINC000026184645 202140254 /nfs/dbraw/zinc/14/02/54/202140254.db2.gz AEFIWSDOHOQIFW-WSTOHFRZSA-N 1 0 342.355 4.050 1 30 EIEFRO Cc1ccc2c(c1)ncc[n+]2CC(=O)c1ccc(Cl)cc1Cl ZINC000036382682 202323830 /nfs/dbraw/zinc/32/38/30/202323830.db2.gz HXBCFMAZODMZCJ-UHFFFAOYSA-N 1 0 332.210 4.020 1 30 EIEFRO O=C(C[n+]1ccc(Cl)c2ccc(Cl)cc21)c1ccc(F)cc1 ZINC000036381175 202323999 /nfs/dbraw/zinc/32/39/99/202323999.db2.gz NRZRIBMHVBREJR-UHFFFAOYSA-N 1 0 335.185 4.456 1 30 EIEFRO CCCCCCCC[C@@H]1O[C@H](OC)C=C(C[NH+]2CCCCC2)C1=O ZINC000103177480 204064358 /nfs/dbraw/zinc/06/43/58/204064358.db2.gz RVIJEDOAMUKUAO-OALUTQOASA-N 1 0 337.504 4.090 1 30 EIEFRO CC[NH+](CC)C1CSC(C#N)(c2ccc(Cl)cc2)SC1 ZINC000103169080 219264890 /nfs/dbraw/zinc/26/48/90/219264890.db2.gz VDJRWHXCIBPQPN-UHFFFAOYSA-N 1 0 326.918 4.207 1 30 EIEFRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](O[C@@H](c1ccccc1)c1ccc(C#N)cc1)C2 ZINC000103271704 219280135 /nfs/dbraw/zinc/28/01/35/219280135.db2.gz KTKDQJBJFJGYTJ-CBPXPLCBSA-N 1 0 332.447 4.289 1 30 EIEFRO N#Cc1c2ccccc2cn1CCC[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000072117038 216012038 /nfs/dbraw/zinc/01/20/38/216012038.db2.gz KQLSWAJEIBZAFC-UHFFFAOYSA-N 1 0 333.479 4.461 1 30 EIEFRO COc1cccc(/C=C2\CC[C@@](CC[NH+](C)C)(C3=CCCC3)C2=O)c1 ZINC000017198860 211960321 /nfs/dbraw/zinc/96/03/21/211960321.db2.gz CUBWKNRVTLUZBR-WQEMPZKUSA-N 1 0 339.479 4.490 1 30 EIEFRO CCCCCCCNC(=O)Oc1cccc2c1OC[C@@H]1CC[N@H+](C)[C@@H]21 ZINC000036286944 581093392 /nfs/dbraw/zinc/09/33/92/581093392.db2.gz LCLQRXYSCAZUJT-MAUKXSAKSA-N 1 0 346.471 4.131 1 30 EIEFRO N#Cc1ccc(-c2ccc(N3CC[C@@H]4C[N@H+](CC5CC5)C[C@@H]43)cc2)cc1 ZINC000043120396 213562208 /nfs/dbraw/zinc/56/22/08/213562208.db2.gz XEUBHDVWPSGZRK-GGAORHGYSA-N 1 0 343.474 4.146 1 30 EIEFRO C[NH+](C)C12C/C(=N\O)C([C@H](c3ccccc3)C1)[C@@H](c1ccccc1)C2 ZINC000040753352 213382366 /nfs/dbraw/zinc/38/23/66/213382366.db2.gz DNCKKEOERMCILA-HVIQQXTPSA-N 1 0 334.463 4.498 1 30 EIEFRO CCCCCC/C=C\CCC[C@H](C[NH2+]C)[C@H](CC[NH3+])CCC(=O)[O-] ZINC000085505970 291006488 /nfs/dbraw/zinc/00/64/88/291006488.db2.gz BFLMXAFJHKGEMK-VXOKQSJXSA-N 1 0 340.552 4.349 1 30 biogenic,in-vitro EIEFRO N#Cc1ccc(Oc2ccc(CC[NH2+]Cc3ccccc3)cc2)nc1 ZINC000028826384 212639079 /nfs/dbraw/zinc/63/90/79/212639079.db2.gz LGMZXAZJPCBJEF-UHFFFAOYSA-N 1 0 329.403 4.078 1 30 in-vitro EIEFRO C[NH+](C)C1CSC(C#N)(c2ccc(Cl)c(Cl)c2)SC1 ZINC000103190056 219267659 /nfs/dbraw/zinc/26/76/59/219267659.db2.gz NPRJQPNAKMSURV-UHFFFAOYSA-N 1 0 333.309 4.080 1 30 EIEFRO CN(C)c1ccc(C#CCC[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000013798557 211640699 /nfs/dbraw/zinc/64/06/99/211640699.db2.gz COTXHBXDTNKBKW-UHFFFAOYSA-N 1 0 346.518 4.449 1 30 EIEFRO CCCCCCCNC(=O)Oc1cccc2c1OC[C@H]1CC[N@H+](C)[C@H]21 ZINC000036286937 581093395 /nfs/dbraw/zinc/09/33/95/581093395.db2.gz LCLQRXYSCAZUJT-QAPCUYQASA-N 1 0 346.471 4.131 1 30 EIEFRO CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(CC#CCCC[NH3+])cc1OC2(C)C ZINC000013557673 211578980 /nfs/dbraw/zinc/57/89/80/211578980.db2.gz FOTUIMIDQCPQEW-QZTJIDSGSA-N 1 0 339.479 4.288 1 30 EIEFRO C=CC[N@H+]1[C@@H]2CCC[C@H]1CC(OC(=O)Nc1cc(C)ccc1OC)C2 ZINC000040380097 213295009 /nfs/dbraw/zinc/29/50/09/213295009.db2.gz PMGQZSWVRBLZRG-SJPCQFCGSA-N 1 0 344.455 4.124 1 30 EIEFRO COc1ccc(C(=O)C[n+]2ccc(Cl)c3ccc(Cl)cc32)cc1 ZINC000036382678 213092794 /nfs/dbraw/zinc/09/27/94/213092794.db2.gz NESPCSOVOUTVER-UHFFFAOYSA-N 1 0 347.221 4.326 1 30 EIEFRO CCCCCCCCNC1=[NH+]C(C)(C)N=C(Nc2ccccc2)N1 ZINC000049872063 214034003 /nfs/dbraw/zinc/03/40/03/214034003.db2.gz LTPBCTOTAQNIIY-UHFFFAOYSA-N 1 0 329.492 4.100 1 30 EIEFRO C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cccc(N=[N+]=[N-])c2)C1C(=O)OC ZINC000100025579 219088908 /nfs/dbraw/zinc/08/89/08/219088908.db2.gz AEFIWSDOHOQIFW-NWCRWOLESA-N 1 0 342.355 4.050 1 30 EIEFRO C=CC[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=S)Nc1ccc(Cl)cc1)C2 ZINC000004887890 210313013 /nfs/dbraw/zinc/31/30/13/210313013.db2.gz UUQVNTQDTJDZKT-ALOPSCKCSA-N 1 0 349.931 4.198 1 30 EIEFRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](O[C@H](c1ccccc1)c1ccc(C#N)cc1)C2 ZINC000100834432 219108743 /nfs/dbraw/zinc/10/87/43/219108743.db2.gz KTKDQJBJFJGYTJ-CLAROIROSA-N 1 0 332.447 4.289 1 30 EIEFRO C[NH2+]CCC[C@@]1(c2ccc(F)cc2)OC(C)(C)c2cc(C#N)ccc21 ZINC000040973197 213405605 /nfs/dbraw/zinc/40/56/05/213405605.db2.gz AJRXGUDPNCWOIG-NRFANRHFSA-N 1 0 338.426 4.206 1 30 EIEFRO N#Cc1ccc(O[C@H](c2ccccc2)C2CC[NH2+]CC2)cc1Cl ZINC000013530960 211572032 /nfs/dbraw/zinc/57/20/32/211572032.db2.gz JSIYCDBIJAEPRS-LJQANCHMSA-N 1 0 326.827 4.331 1 30 EIEFRO CCCCCCCNC(=O)Oc1cccc2c1OC[C@H]1CC[N@H+](C)[C@@H]21 ZINC000036286940 581093427 /nfs/dbraw/zinc/09/34/27/581093427.db2.gz LCLQRXYSCAZUJT-CRAIPNDOSA-N 1 0 346.471 4.131 1 30 EIEFRO N#CC[C@H]1Cc2sccc2C2(CC[NH+](Cc3ccccc3)CC2)O1 ZINC000053276478 214173993 /nfs/dbraw/zinc/17/39/93/214173993.db2.gz JGZBONPCLIODFA-KRWDZBQOSA-N 1 0 338.476 4.094 1 30 EIEFRO C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CC[N@@H+]2CCCCCCC#N ZINC000013835870 211647924 /nfs/dbraw/zinc/64/79/24/211647924.db2.gz XKDFSTVBCWLGSK-CZAAIQMYSA-N 1 0 326.484 4.390 1 30 EIEFRO CCCCCCCCC[N@@H+]1CCN2CCc3cc(O)c(O)cc3[C@@H]2C1 ZINC000049761856 214031478 /nfs/dbraw/zinc/03/14/78/214031478.db2.gz LXSNDUASJVKMED-IBGZPJMESA-N 1 0 346.515 4.063 1 30 EIEFRO CC[C@H](c1ccc(O)cc1)[C@@H](CC(=O)C[N+]#N)c1ccc(O)cc1 ZINC000028757658 212635321 /nfs/dbraw/zinc/63/53/21/212635321.db2.gz CMZLPKLGQGPZAR-MOPGFXCFSA-O 1 0 325.388 4.187 1 30 EIEFRO CO/N=C1\C[C@@H](c2ccc(F)cc2)[NH2+][C@@H](c2ccc(F)cc2)[C@@H]1C ZINC000073196736 216362387 /nfs/dbraw/zinc/36/23/87/216362387.db2.gz YSAFQDNPKJFQJY-NZIXVOHUSA-N 1 0 330.378 4.379 1 30 EIEFRO CCOc1ccc2c(NN=Cc3cccc(Cl)c3)cc(C)[nH+]c2c1 ZINC000038889697 213229664 /nfs/dbraw/zinc/22/96/64/213229664.db2.gz WHWKCMYPTXFJEG-CIAFOILYSA-N 1 0 339.826 4.463 1 30 EIEFRO CC(C)(C)C#CCn1c2ccccc2nc1C[N+](=O)C1CCCCC1 ZINC000015934710 211870331 /nfs/dbraw/zinc/87/03/31/211870331.db2.gz XGQRHGISRYKTKD-JLPGSUDCSA-N 1 0 337.467 4.348 3 30 EIEFRO C#CCCCn1c2ccccc2c2cc[n+]3nc(CC)c(CC)cc3c21 ZINC000026576734 212526829 /nfs/dbraw/zinc/52/68/29/212526829.db2.gz WHICROVHYOCYSJ-UHFFFAOYSA-N 1 0 342.466 4.466 1 30 EIEFRO CCCCCCCCNc1ccc(C(=O)OCC[NH+](C)C)cc1C ZINC000073163207 216359635 /nfs/dbraw/zinc/35/96/35/216359635.db2.gz GARPJKBFDCRJOZ-UHFFFAOYSA-N 1 0 334.504 4.486 1 30 EIEFRO CCCCCCCNC(=O)Oc1cccc2c1OC[C@@H]1CC[N@H+](C)[C@H]21 ZINC000014947453 581093406 /nfs/dbraw/zinc/09/34/06/581093406.db2.gz LCLQRXYSCAZUJT-YJBOKZPZSA-N 1 0 346.471 4.131 1 30 EIEFRO CCCCCCCC[C@H]1O[C@H](OC)C=C(C[NH+]2CCCCC2)C1=O ZINC000103177478 219265661 /nfs/dbraw/zinc/26/56/61/219265661.db2.gz RVIJEDOAMUKUAO-MOPGFXCFSA-N 1 0 337.504 4.090 1 30 EIEFRO N#Cc1nc(CCC[NH+]2CCCCC2)cc(C2CCCCCC2)n1 ZINC000038216728 213206216 /nfs/dbraw/zinc/20/62/16/213206216.db2.gz UTNIKRVBYGTXDR-UHFFFAOYSA-N 1 0 326.488 4.205 1 30 in-vitro EIEFRO [NH3+]C1(C#Cc2ccc3c(c2)sc2ccccc2c3=O)CCCCC1 ZINC000061969065 214690396 /nfs/dbraw/zinc/69/03/96/214690396.db2.gz SVBHMSCONHTYEU-UHFFFAOYSA-N 1 0 333.456 4.428 3 30 EIEFRO Fc1ccc([C@@H]2CC[NH2+]C/C2=N/OCc2ccccc2Cl)cc1 ZINC000066122878 215014595 /nfs/dbraw/zinc/01/45/95/215014595.db2.gz PWWHZINPFBTHKF-NLFAIWHDSA-N 1 0 332.806 4.129 1 30 EIEFRO C[NH+](C)CCC[C@@]1(c2ccccc2)OC(C)(C)c2cc(C#N)ccc21 ZINC000040429312 213303069 /nfs/dbraw/zinc/30/30/69/213303069.db2.gz BIXIWGCNVRAWEX-QFIPXVFZSA-N 1 0 334.463 4.409 1 30 EIEFRO N#Cc1ccc(NC(=N)NC(=[NH2+])Cc2c(Cl)cccc2Cl)cc1 ZINC000006524950 210646380 /nfs/dbraw/zinc/64/63/80/210646380.db2.gz HZCQEPUEQYPGAF-UHFFFAOYSA-N 1 0 346.221 4.021 1 30 EIEFRO C=C(C[NH+](CC)CC)[C@]1(c2ccccc2)CC2(CCCC2)C(=O)O1 ZINC000005807569 210540793 /nfs/dbraw/zinc/54/07/93/210540793.db2.gz GAHVIFHJGZDKLS-NRFANRHFSA-N 1 0 327.468 4.287 1 30 EIEFRO C[NH+](C)CCC[C@]1(c2ccccc2)OC(C)(C)c2cc(C#N)ccc21 ZINC000040429310 213303272 /nfs/dbraw/zinc/30/32/72/213303272.db2.gz BIXIWGCNVRAWEX-JOCHJYFZSA-N 1 0 334.463 4.409 1 30 EIEFRO CCOc1ccc2c(NN=Cc3ccc4c(c3)OCO4)cc(C)[nH+]c2c1 ZINC000043024175 213553635 /nfs/dbraw/zinc/55/36/35/213553635.db2.gz LPJNYUGAUCVRKJ-SRZZPIQSSA-N 1 0 349.390 4.117 1 30 EIEFRO NC(=[NH2+])N=NC(=CCc1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000064573458 214793441 /nfs/dbraw/zinc/79/34/41/214793441.db2.gz PORKPOKRFKMVCF-MNAAYFIDSA-N 1 0 340.430 4.254 1 30 EIEFRO CCCCCCCC[C@@H]1O[C@@H](OC)C=C(C[NH+]2CCCCC2)C1=O ZINC000103177475 219266021 /nfs/dbraw/zinc/26/60/21/219266021.db2.gz RVIJEDOAMUKUAO-RBUKOAKNSA-N 1 0 337.504 4.090 1 30 EIEFRO CCCCCCCCNc1ccc(C(=O)OCC[NH+](C)C)cc1F ZINC000073163214 216359523 /nfs/dbraw/zinc/35/95/23/216359523.db2.gz BXDQYCJSPCHLME-UHFFFAOYSA-N 1 0 338.467 4.317 1 30 EIEFRO CC(=O)O[C@@H]1CCCc2ccc(/[NH+]=C/N3CCc4ccccc4C3)cc21 ZINC000101103222 219115814 /nfs/dbraw/zinc/11/58/14/219115814.db2.gz ASMHEURTLBOCKH-WWOVWOHCSA-N 1 0 348.446 4.345 1 30 EIEFRO Fc1ccc([C@H]2CC[NH2+]C/C2=N\OCc2ccccc2Cl)cc1 ZINC000066124445 215014285 /nfs/dbraw/zinc/01/42/85/215014285.db2.gz PWWHZINPFBTHKF-XEFZIOHMSA-N 1 0 332.806 4.129 1 30 EIEFRO CN1CCC/C1=[NH+]/CCc1cn(Cc2ccccc2)c2ccccc12 ZINC000102224087 219191117 /nfs/dbraw/zinc/19/11/17/219191117.db2.gz QEWANMUPUZQAHG-FCQUAONHSA-N 1 0 331.463 4.356 1 30 EIEFRO CCCCCCCCNS(=O)(=O)CC[NH2+]CCCCCCCC ZINC000072138184 216026640 /nfs/dbraw/zinc/02/66/40/216026640.db2.gz DCRCHKPVLDARGM-UHFFFAOYSA-N 1 0 348.597 4.216 3 30 EIEFRO C1CN(/C(NC2CCCCCCC2)=[NH+]\C2CCCCCCC2)CCO1 ZINC000027197335 212549240 /nfs/dbraw/zinc/54/92/40/212549240.db2.gz BFJMYEIOGWSIIO-UHFFFAOYSA-N 1 0 349.563 4.490 1 30 EIEFRO COc1cccc(/C=C2\CC[C@](CC[NH+](C)C)(C3=CCCC3)C2=O)c1 ZINC000017198862 211960053 /nfs/dbraw/zinc/96/00/53/211960053.db2.gz CUBWKNRVTLUZBR-LXKWBGADSA-N 1 0 339.479 4.490 1 30 EIEFRO C[C@H]([NH3+])C#Cc1cnc(Oc2ccc(Oc3ccccc3)cc2)s1 ZINC000053151249 214166365 /nfs/dbraw/zinc/16/63/65/214166365.db2.gz XVFLFMHZTBIKTC-AWEZNQCLSA-N 1 0 336.416 4.426 1 30 EIEFRO Fc1ccc([C@H]2CC[NH2+]C/C2=N/OCc2ccccc2Cl)cc1 ZINC000066122876 215014007 /nfs/dbraw/zinc/01/40/07/215014007.db2.gz PWWHZINPFBTHKF-USCXLKSCSA-N 1 0 332.806 4.129 1 30 EIEFRO CC(C)[N@@H+]1C[C@H]2CCN(c3ccc(-c4ccc(C#N)cc4)cc3)[C@H]2C1 ZINC000062178479 214704266 /nfs/dbraw/zinc/70/42/66/214704266.db2.gz MMWVEAWQNYFYOU-IRLDBZIGSA-N 1 0 331.463 4.144 1 30 EIEFRO CCCCCCCC[C@H]1O[C@@H](OC)C=C(C[NH+]2CCCCC2)C1=O ZINC000103177472 219265739 /nfs/dbraw/zinc/26/57/39/219265739.db2.gz RVIJEDOAMUKUAO-RTBURBONSA-N 1 0 337.504 4.090 1 30 EIEFRO