smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@H]2c1ccc(O)cc1 ZINC000261361943 497407101 /nfs/dbraw/zinc/40/71/01/497407101.db2.gz DPLASZKTJWNQLA-QGZVFWFLSA-O 1 2 365.438 3.093 40 30 FGEBLO Cc1cc(N2CCN(c3cccc[nH+]3)CC2)n2c3ccccc3nc2c1C#N ZINC000000873011 132251878 /nfs/dbraw/zinc/25/18/78/132251878.db2.gz YOAJKJBVEWBXIT-UHFFFAOYSA-N 1 2 368.444 3.389 40 30 FGEBLO COc1cc(N2CCCC2)c(OC)cc1C=[NH+]Nc1ccc([N+](=O)[O-])cn1 ZINC000409091231 570722252 /nfs/dbraw/zinc/72/22/52/570722252.db2.gz RVMMLUWAJWXQLU-RGVLZGJSSA-N 1 2 371.397 3.053 40 30 FGEBLO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(C#N)cc2)C[C@@H]1c1nc2ccccc2[nH]1 ZINC000213573342 571275192 /nfs/dbraw/zinc/27/51/92/571275192.db2.gz SFNSLLSYNZWZQG-QFBILLFUSA-N 1 2 374.448 3.392 40 30 FGEBLO C[N@H+]1CC[C@H](NC(=O)Nc2ccc(C#N)cc2)C[C@@H]1c1nc2ccccc2[nH]1 ZINC000213573342 571275194 /nfs/dbraw/zinc/27/51/94/571275194.db2.gz SFNSLLSYNZWZQG-QFBILLFUSA-N 1 2 374.448 3.392 40 30 FGEBLO C[NH+]=C1CN2OC(=O)N(C)[C@]2(c2ccccc2)c2cc(Cl)ccc2N1 ZINC000003594121 204108213 /nfs/dbraw/zinc/10/82/13/204108213.db2.gz LVMMOOFHGDXCHR-SFHVURJKSA-N 1 2 356.813 3.103 40 30 FGEBLO COc1ccc([C@@H]2C3=C(CCCC3=O)NN2c2nc(C)cc(C)[nH+]2)cc1 ZINC000008558913 263356231 /nfs/dbraw/zinc/35/62/31/263356231.db2.gz PCUUKCGLXLEJDZ-LJQANCHMSA-N 1 2 350.422 3.175 40 30 FGEBLO CC(C)(C)c1nnc(NC(=O)C[N@@H+]2CCC[C@H](Cn3ccnc3)C2)s1 ZINC000019715451 494457232 /nfs/dbraw/zinc/45/72/32/494457232.db2.gz XFXCTYKRCDDTDV-ZDUSSCGKSA-N 1 2 362.503 3.032 40 30 FGEBLO CC(C)(C)c1nnc(NC(=O)C[N@H+]2CCC[C@H](Cn3ccnc3)C2)s1 ZINC000019715451 494457236 /nfs/dbraw/zinc/45/72/36/494457236.db2.gz XFXCTYKRCDDTDV-ZDUSSCGKSA-N 1 2 362.503 3.032 40 30 FGEBLO N#Cc1ccc(C(=O)N2C[C@@H]3c4[nH+]cc(-c5ccncc5)n4CC[C@@H]3C2)cc1 ZINC000306141599 498743282 /nfs/dbraw/zinc/74/32/82/498743282.db2.gz WBUWTWPEAVGOSF-MOPGFXCFSA-N 1 2 369.428 3.076 40 30 FGEBLO O=[N+]([O-])c1ccc(/C=N\N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000019848774 206327995 /nfs/dbraw/zinc/32/79/95/206327995.db2.gz SSSRRPSNEAAEKL-MOSHPQCFSA-N 1 2 358.829 3.400 40 30 FGEBLO CN(C)c1ccc(/C=C2/C[NH2+]C/C(=C/c3ccc(N(C)C)cc3)C2=O)cc1 ZINC000031817910 493962847 /nfs/dbraw/zinc/96/28/47/493962847.db2.gz PQXIGFCAMSKVHL-AXPXABNXSA-N 1 2 361.489 3.458 40 30 FGEBLO N#Cc1cccc(C[N@H+]2C[C@@H](F)[C@@H](OCc3nc4cc(F)ccc4[nH]3)C2)c1 ZINC000096112218 495001846 /nfs/dbraw/zinc/00/18/46/495001846.db2.gz KWIPZUWFDZJCPH-APWZRJJASA-N 1 2 368.387 3.313 40 30 biogenic,in-vitro FGEBLO N#Cc1cccc(C[N@@H+]2C[C@@H](F)[C@@H](OCc3nc4cc(F)ccc4[nH]3)C2)c1 ZINC000096112218 495001849 /nfs/dbraw/zinc/00/18/49/495001849.db2.gz KWIPZUWFDZJCPH-APWZRJJASA-N 1 2 368.387 3.313 40 30 biogenic,in-vitro FGEBLO CCNC(=S)N/[NH+]=C/c1ccc(N(CC)CC)c(Br)c1 ZINC000033737211 494062982 /nfs/dbraw/zinc/06/29/82/494062982.db2.gz QTEGTRPSDJSKAY-LICLKQGHSA-N 1 2 357.321 3.113 40 30 FGEBLO N#Cc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(Cl)c1 ZINC000059488749 493906481 /nfs/dbraw/zinc/90/64/81/493906481.db2.gz XYSDOYRXXRLSNK-UHFFFAOYSA-N 1 2 356.813 3.442 40 30 FGEBLO OCC(=NNc1ccccc1)c1cccc(C(CO)=[NH+]Nc2ccccc2)c1 ZINC000004266037 527505106 /nfs/dbraw/zinc/50/51/06/527505106.db2.gz RHNWEHNPPNHOKZ-KOUJMYIZSA-N 1 2 374.444 3.304 40 30 FGEBLO N#Cc1cccc(C(=O)N2C[C@@H]3CCn4c(-c5ccncc5)c[nH+]c4[C@@H]3C2)c1 ZINC000306129535 498738581 /nfs/dbraw/zinc/73/85/81/498738581.db2.gz IGJSKFBSWMVDMF-RBUKOAKNSA-N 1 2 369.428 3.076 40 30 FGEBLO Cn1cc[nH+]c1CN1CCC[C@H]1c1csc(Nc2cc(C#N)ccn2)n1 ZINC000585294826 507587520 /nfs/dbraw/zinc/58/75/20/507587520.db2.gz KQNWSCDBLPPEKH-HNNXBMFYSA-N 1 2 365.466 3.224 40 30 FGEBLO N#CC1C(=O)NC(N2CCC(Cc3ccccc3)CC2)=[NH+]C12CCCCC2 ZINC000014163029 494306934 /nfs/dbraw/zinc/30/69/34/494306934.db2.gz NONZYIQPTJFKFK-IBGZPJMESA-N 1 2 364.493 3.270 40 30 FGEBLO Cc1ccc(C[N@@H+]2C[C@@H](F)[C@@H](OCc3nc4ccc(C#N)cc4[nH]3)C2)cc1 ZINC000096112289 495001893 /nfs/dbraw/zinc/00/18/93/495001893.db2.gz DGCZCGAILSKXPA-XLIONFOSSA-N 1 2 364.424 3.482 40 30 biogenic,in-vitro FGEBLO Cc1ccc(C[N@H+]2C[C@@H](F)[C@@H](OCc3nc4ccc(C#N)cc4[nH]3)C2)cc1 ZINC000096112289 495001896 /nfs/dbraw/zinc/00/18/96/495001896.db2.gz DGCZCGAILSKXPA-XLIONFOSSA-N 1 2 364.424 3.482 40 30 biogenic,in-vitro FGEBLO N#Cc1ccc2nc(CO[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3F)[nH]c2c1 ZINC000096112280 495001796 /nfs/dbraw/zinc/00/17/96/495001796.db2.gz UPBJQGTVIHBEDU-APWZRJJASA-N 1 2 350.397 3.174 40 30 biogenic,in-vitro FGEBLO N#Cc1ccc2nc(CO[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3F)[nH]c2c1 ZINC000096112280 495001797 /nfs/dbraw/zinc/00/17/97/495001797.db2.gz UPBJQGTVIHBEDU-APWZRJJASA-N 1 2 350.397 3.174 40 30 biogenic,in-vitro FGEBLO C=C(C)C[NH+]1CCN(C(=O)c2cc(-c3ccncc3)c3cnccc3n2)CC1 ZINC000019016189 494434888 /nfs/dbraw/zinc/43/48/88/494434888.db2.gz JPUSYNYBQCTWLO-UHFFFAOYSA-N 1 2 373.460 3.026 40 30 FGEBLO Cc1nc(NC2=[NH+]CN([C@@H]3CCC[C@H](C)[C@H]3C)CN2)nc2ccccc12 ZINC000019332585 494442651 /nfs/dbraw/zinc/44/26/51/494442651.db2.gz HSZAZYDQEZJAEE-PMUMKWKESA-N 1 2 352.486 3.160 40 30 FGEBLO C=CCNC(=O)c1ccccc1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038855796 518941246 /nfs/dbraw/zinc/94/12/46/518941246.db2.gz UYXLWKKDYPUBDY-UHFFFAOYSA-N 1 2 360.417 3.100 40 30 FGEBLO COc1cc(N2CCCCC2)ccc1C=[NH+]Nc1ccc([N+](=O)[O-])cn1 ZINC000409240639 570743681 /nfs/dbraw/zinc/74/36/81/570743681.db2.gz USHUXBBATPBINI-UDWIEESQSA-N 1 2 355.398 3.435 40 30 FGEBLO C[NH+]=C1CN2OC(=O)N(C)[C@@]2(c2ccccc2)c2cc(Cl)ccc2N1 ZINC000001617352 493797053 /nfs/dbraw/zinc/79/70/53/493797053.db2.gz LVMMOOFHGDXCHR-GOSISDBHSA-N 1 2 356.813 3.103 40 30 FGEBLO Cc1cccc(-c2noc([C@@H]3C[C@@H](O)C[N@@H+]3Cc3cccc(C#N)c3)n2)c1 ZINC000015674369 494365421 /nfs/dbraw/zinc/36/54/21/494365421.db2.gz XOJAEKKJUKPHQZ-MOPGFXCFSA-N 1 2 360.417 3.225 40 30 biogenic,in-vitro FGEBLO Cc1cccc(-c2noc([C@@H]3C[C@@H](O)C[N@H+]3Cc3cccc(C#N)c3)n2)c1 ZINC000015674369 494365426 /nfs/dbraw/zinc/36/54/26/494365426.db2.gz XOJAEKKJUKPHQZ-MOPGFXCFSA-N 1 2 360.417 3.225 40 30 biogenic,in-vitro FGEBLO CON=C(N)c1ccc(-c2ccc(-c3ccc(C(N)=[NH+]OC)cc3)o2)cc1 ZINC000006482036 207142617 /nfs/dbraw/zinc/14/26/17/207142617.db2.gz UKOQVLAXCBRRGH-UHFFFAOYSA-N 1 2 364.405 3.147 40 30 in-man FGEBLO CN(C)c1ccc(C=[NH+]Nc2ccc([N+](=O)[O-])cn2)cc1Br ZINC000033690115 208098274 /nfs/dbraw/zinc/09/82/74/208098274.db2.gz NNMXNVMTJAHVIS-IUXPMGMMSA-N 1 2 364.203 3.264 40 30 FGEBLO N#CC1C(=O)NC(N2CCC(Cc3ccccc3)CC2)=[NH+]C12CCCCC2 ZINC000014163025 494306621 /nfs/dbraw/zinc/30/66/21/494306621.db2.gz NONZYIQPTJFKFK-LJQANCHMSA-N 1 2 364.493 3.270 40 30 FGEBLO C[NH+](C)c1ccc(-n2cccc2CN=Nc2ncccc2[N+](=O)[O-])cc1 ZINC000408959670 499595611 /nfs/dbraw/zinc/59/56/11/499595611.db2.gz CVUMNPISCLMNBU-DEDYPNTBSA-N 1 2 350.382 3.293 40 30 FGEBLO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2)C[C@H]1c1nc2ccccc2[nH]1 ZINC000301055013 210043073 /nfs/dbraw/zinc/04/30/73/210043073.db2.gz SFNSLLSYNZWZQG-APWZRJJASA-N 1 2 374.448 3.392 40 30 FGEBLO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2)C[C@H]1c1nc2ccccc2[nH]1 ZINC000301055013 210043075 /nfs/dbraw/zinc/04/30/75/210043075.db2.gz SFNSLLSYNZWZQG-APWZRJJASA-N 1 2 374.448 3.392 40 30 FGEBLO Cn1ccnc1C[N@@H+]1CCC[C@H]1c1cccc(Nc2ccc(C#N)nc2)n1 ZINC000585294473 507587563 /nfs/dbraw/zinc/58/75/63/507587563.db2.gz GDDDIFUEBQYSTI-SFHVURJKSA-N 1 2 359.437 3.162 40 30 FGEBLO Cn1ccnc1C[N@H+]1CCC[C@H]1c1cccc(Nc2ccc(C#N)nc2)n1 ZINC000585294473 507587573 /nfs/dbraw/zinc/58/75/73/507587573.db2.gz GDDDIFUEBQYSTI-SFHVURJKSA-N 1 2 359.437 3.162 40 30 FGEBLO OCC(=NNc1ccccc1)c1cccc(C(CO)=[NH+]Nc2ccccc2)c1 ZINC000013403611 527504844 /nfs/dbraw/zinc/50/48/44/527504844.db2.gz RHNWEHNPPNHOKZ-ORFRIDJFSA-N 1 2 374.444 3.304 40 30 FGEBLO C[NH+](C)c1ccc(-n2cccc2CN=Nc2ccc([N+](=O)[O-])cn2)cc1 ZINC000408851684 570691961 /nfs/dbraw/zinc/69/19/61/570691961.db2.gz MKYSQZSYZXJJSM-DEDYPNTBSA-N 1 2 350.382 3.293 40 30 FGEBLO CC1(C)[C@H]2CC[C@]1(C)C(=O)C2=C[NH2+]Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000103980667 222347197 /nfs/dbraw/zinc/34/71/97/222347197.db2.gz SOXIJFAYYXSXCD-LRRJSBNBSA-N 1 2 360.370 3.329 40 30 FGEBLO C=CCSc1nnc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)s1 ZINC000224355135 519091264 /nfs/dbraw/zinc/09/12/64/519091264.db2.gz UAOKIXFHOSARKS-UHFFFAOYSA-N 1 2 357.464 3.313 40 30 FGEBLO O=[N+]([O-])c1ccc(C=NN2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000245232341 527346714 /nfs/dbraw/zinc/34/67/14/527346714.db2.gz SSSRRPSNEAAEKL-UHFFFAOYSA-N 1 2 358.829 3.400 40 30 FGEBLO CC(C)(C)OC(=O)N=C(NCCCCCC[NH3+])NC(=O)OC(C)(C)C ZINC000015809947 211144744 /nfs/dbraw/zinc/14/47/44/211144744.db2.gz BQKPZRONQZKFSZ-UHFFFAOYSA-N 1 2 358.483 3.115 40 30 FGEBLO CC1(C)Oc2ccccc2[C@H]2O[C@](C)(C#CC[NH+]3CCOCC3)CC[C@@H]21 ZINC000033737234 494063256 /nfs/dbraw/zinc/06/32/56/494063256.db2.gz MXGIYHZVIKLRKE-CZTZKLFOSA-N 1 2 355.478 3.420 40 30 FGEBLO N#Cc1ccc(C(=O)N2C[C@H]3CCn4c(-c5ccncc5)c[nH+]c4[C@@H]3C2)cc1 ZINC000306141602 210057996 /nfs/dbraw/zinc/05/79/96/210057996.db2.gz WBUWTWPEAVGOSF-RTBURBONSA-N 1 2 369.428 3.076 40 30 FGEBLO Cc1nc(NC2=[NH+]CN([C@@H]3CCC[C@H](C)[C@@H]3C)CN2)nc2ccccc12 ZINC000037100458 211019916 /nfs/dbraw/zinc/01/99/16/211019916.db2.gz HSZAZYDQEZJAEE-SUNYJGFJSA-N 1 2 352.486 3.160 40 30 FGEBLO COc1ccc([C@H]2C3=C(CCCC3=O)NN2c2nc(C)cc(C)[nH+]2)cc1 ZINC000008558915 263356179 /nfs/dbraw/zinc/35/61/79/263356179.db2.gz PCUUKCGLXLEJDZ-IBGZPJMESA-N 1 2 350.422 3.175 40 30 FGEBLO Cc1cc(/C=N/c2ccc(C[NH+]3CCOCC3)cc2)c(O)c([N+](=O)[O-])c1 ZINC000006921967 493987325 /nfs/dbraw/zinc/98/73/25/493987325.db2.gz VOJBCNCOCFLIFT-UDWIEESQSA-N 1 2 355.394 3.192 40 30 FGEBLO C[C@H]1c2[nH+]cc(CCOCC3CC3)n2CCN1Cc1ccccc1C#N ZINC000585098717 507565748 /nfs/dbraw/zinc/56/57/48/507565748.db2.gz XWCMSQIISIKGHN-INIZCTEOSA-N 1 2 350.466 3.301 40 30 FGEBLO O=[N+]([O-])c1ccc(N=NCc2ccc(-n3cc[nH+]c3)cc2)c([N+](=O)[O-])c1 ZINC000007899978 494050414 /nfs/dbraw/zinc/05/04/14/494050414.db2.gz RNPOOETYEDSCSG-VCHYOVAHSA-N 1 2 352.310 3.135 40 30 FGEBLO C[C@@H]1c2[nH+]cc(CCOCC3CC3)n2CCN1Cc1ccccc1C#N ZINC000585098718 507566360 /nfs/dbraw/zinc/56/63/60/507566360.db2.gz XWCMSQIISIKGHN-MRXNPFEDSA-N 1 2 350.466 3.301 40 30 FGEBLO COc1cccc(/C=N\N2CC[NH+](Cc3ccccc3Cl)CC2)c1O ZINC000016677830 525775907 /nfs/dbraw/zinc/77/59/07/525775907.db2.gz WNZKBKQWHZIYEZ-BKUYFWCQSA-N 1 2 359.857 3.206 40 30 FGEBLO Brc1cc(C=[NH+]Nc2ccccc2)oc1N1CCOCC1 ZINC000059679777 493907725 /nfs/dbraw/zinc/90/77/25/493907725.db2.gz YBXMDUZLLUAMAP-GZTJUZNOSA-N 1 2 350.216 3.325 40 30 FGEBLO Cc1ccc2nc(NC3=[NH+]CN([C@@H]4CCCC[C@H]4C)CN3)nc(C)c2c1 ZINC000019332612 494441782 /nfs/dbraw/zinc/44/17/82/494441782.db2.gz AKQQYSYKXAIBQH-RDTXWAMCSA-N 1 2 352.486 3.223 40 30 FGEBLO Cc1nn(C)c(N(C)C)c1/C=[NH+]/OCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000028473390 527669982 /nfs/dbraw/zinc/66/99/82/527669982.db2.gz VRTAOLWUVIWOCE-CIAFOILYSA-N 1 2 372.469 3.301 40 30 FGEBLO Cn1c(CO[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2F)nc2ccccc21 ZINC000096112194 222028860 /nfs/dbraw/zinc/02/88/60/222028860.db2.gz YIQQPTUARDAXDI-XLIONFOSSA-N 1 2 364.424 3.184 40 30 biogenic,in-vitro FGEBLO Cn1c(CO[C@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2F)nc2ccccc21 ZINC000096112194 222028863 /nfs/dbraw/zinc/02/88/63/222028863.db2.gz YIQQPTUARDAXDI-XLIONFOSSA-N 1 2 364.424 3.184 40 30 biogenic,in-vitro FGEBLO C=CCOc1ccc(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000022509734 519039387 /nfs/dbraw/zinc/03/93/87/519039387.db2.gz GLYUYASJCYQKOW-UHFFFAOYSA-N 1 2 352.434 3.336 40 30 FGEBLO CC(C)(C)c1nnc(NC(=O)C[N@@H+]2CCC[C@@H](Cn3ccnc3)C2)s1 ZINC000019715450 220288873 /nfs/dbraw/zinc/28/88/73/220288873.db2.gz XFXCTYKRCDDTDV-CYBMUJFWSA-N 1 2 362.503 3.032 40 30 FGEBLO CC(C)(C)c1nnc(NC(=O)C[N@H+]2CCC[C@@H](Cn3ccnc3)C2)s1 ZINC000019715450 220288876 /nfs/dbraw/zinc/28/88/76/220288876.db2.gz XFXCTYKRCDDTDV-CYBMUJFWSA-N 1 2 362.503 3.032 40 30 FGEBLO O=C(C[N@@H+]1CCCN(c2ccccn2)CC1)Nc1nnc(C2CCC2)s1 ZINC000019658426 263375367 /nfs/dbraw/zinc/37/53/67/263375367.db2.gz GVPAMYDXRAYLHI-UHFFFAOYSA-N 1 2 372.498 3.001 40 30 FGEBLO O=C(C[N@H+]1CCCN(c2ccccn2)CC1)Nc1nnc(C2CCC2)s1 ZINC000019658426 263375369 /nfs/dbraw/zinc/37/53/69/263375369.db2.gz GVPAMYDXRAYLHI-UHFFFAOYSA-N 1 2 372.498 3.001 40 30 FGEBLO CC(=O)Nc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NCCO)n2)cc1 ZINC000328955915 520174394 /nfs/dbraw/zinc/17/43/94/520174394.db2.gz ADWOYPPLGKXAJY-UHFFFAOYSA-N 1 2 363.421 3.321 40 30 FGEBLO Cc1ccc2nc(NC3=[NH+]CN([C@H]4CCCC[C@@H]4C)CN3)nc(C)c2c1 ZINC000019332608 220250894 /nfs/dbraw/zinc/25/08/94/220250894.db2.gz AKQQYSYKXAIBQH-KSSFIOAISA-N 1 2 352.486 3.223 40 30 FGEBLO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2C(=O)N(CC2CC2)c2ccccc2O3)cc1 ZINC000096111804 222029602 /nfs/dbraw/zinc/02/96/02/222029602.db2.gz JATOTCWOLUPCNR-FPOVZHCZSA-N 1 2 373.456 3.337 40 30 biogenic,in-vitro FGEBLO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C(=O)N(CC2CC2)c2ccccc2O3)cc1 ZINC000096111804 222029603 /nfs/dbraw/zinc/02/96/03/222029603.db2.gz JATOTCWOLUPCNR-FPOVZHCZSA-N 1 2 373.456 3.337 40 30 biogenic,in-vitro FGEBLO CN(C)c1ccc(C=[NH+]Nc2cnn(-c3ccccc3)c(=O)c2Cl)cc1 ZINC000005585842 493936228 /nfs/dbraw/zinc/93/62/28/493936228.db2.gz QMEYMFNBLUGMLV-CIAFOILYSA-N 1 2 367.840 3.398 40 30 FGEBLO O=C(Cn1cc(/C=[NH+]/Cc2ccccc2)c2ccccc21)N1CCOCC1 ZINC000408963205 570704235 /nfs/dbraw/zinc/70/42/35/570704235.db2.gz XXGDEVOUDQHQHA-HZHRSRAPSA-N 1 2 361.445 3.119 40 30 FGEBLO C=CCn1c2ccccc2[nH+]c1N1CCC(C(=O)NC2CCCC2)CC1 ZINC000012116462 263369392 /nfs/dbraw/zinc/36/93/92/263369392.db2.gz SCZOZIZNSOTBQQ-UHFFFAOYSA-N 1 2 352.482 3.498 40 30 FGEBLO O=[N+]([O-])c1ccccc1/C=N\N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000019790548 220296880 /nfs/dbraw/zinc/29/68/80/220296880.db2.gz DXLAPXDLGPZWKB-MOSHPQCFSA-N 1 2 358.829 3.400 40 30 FGEBLO Cn1cnc(C[N@@H+]2CCC[C@@H]2c2cccc(Nc3ccc(C#N)nc3)n2)c1 ZINC000585295419 507588411 /nfs/dbraw/zinc/58/84/11/507588411.db2.gz YVOHALSSWXTOTD-LJQANCHMSA-N 1 2 359.437 3.162 40 30 FGEBLO Cn1cnc(C[N@H+]2CCC[C@@H]2c2cccc(Nc3ccc(C#N)nc3)n2)c1 ZINC000585295419 507588420 /nfs/dbraw/zinc/58/84/20/507588420.db2.gz YVOHALSSWXTOTD-LJQANCHMSA-N 1 2 359.437 3.162 40 30 FGEBLO N#Cc1cccc(C(=O)N2C[C@H]3CCn4c(-c5ccncc5)c[nH+]c4[C@@H]3C2)c1 ZINC000306129536 223108036 /nfs/dbraw/zinc/10/80/36/223108036.db2.gz IGJSKFBSWMVDMF-RTBURBONSA-N 1 2 369.428 3.076 40 30 FGEBLO Cc1ccc2c(C)nc(NC3=[NH+]CN([C@H]4CCC[C@H](C)[C@@H]4C)CN3)nc2c1 ZINC000019327107 220249206 /nfs/dbraw/zinc/24/92/06/220249206.db2.gz UVJAURJSRPJZJF-DOXZYTNZSA-N 1 2 366.513 3.469 40 30 FGEBLO O=C(Cn1cc(/C=[NH+]\C2CCCCC2)c2ccccc21)N1CCOCC1 ZINC000408962072 499595453 /nfs/dbraw/zinc/59/54/53/499595453.db2.gz PNKYKYKPNDZORQ-HMAPJEAMSA-N 1 2 353.466 3.252 40 30 FGEBLO Cn1cc[nH+]c1CN1CCC[C@@H]1c1csc(Nc2cc(C#N)ccn2)n1 ZINC000585294827 507588031 /nfs/dbraw/zinc/58/80/31/507588031.db2.gz KQNWSCDBLPPEKH-OAHLLOKOSA-N 1 2 365.466 3.224 40 30 FGEBLO Cc1[nH]c(C(=O)NC2(c3noc([C@@H]4CCOC4)n3)CCCCCC2)c[nH+]1 ZINC000328764880 571140962 /nfs/dbraw/zinc/14/09/62/571140962.db2.gz GPCKNESQKNSHTC-CYBMUJFWSA-N 1 2 359.430 3.159 40 30 FGEBLO C=CCn1c2ccccc2[nH+]c1N1CCC(C(=O)Nc2cccnc2)CC1 ZINC000012219403 494215260 /nfs/dbraw/zinc/21/52/60/494215260.db2.gz PFKNOJIPCOJTME-UHFFFAOYSA-N 1 2 361.449 3.472 40 30 FGEBLO N#Cc1ccc(OCc2[nH+]c(N)nc(N)c2-c2ccc(Cl)cc2)cc1 ZINC000013283473 494284283 /nfs/dbraw/zinc/28/42/83/494284283.db2.gz NMRQISCKNUDADU-UHFFFAOYSA-N 1 2 351.797 3.412 40 30 FGEBLO CC1(C)Oc2ccccc2[C@@H]2O[C@](C)(C#CC[NH+]3CCOCC3)CC[C@@H]21 ZINC000020111589 494467665 /nfs/dbraw/zinc/46/76/65/494467665.db2.gz MXGIYHZVIKLRKE-RCZSKKKRSA-N 1 2 355.478 3.420 40 30 FGEBLO N#Cc1cccc(C(=O)N2C[C@@H]3c4[nH+]cc(-c5ccncc5)n4CC[C@@H]3C2)c1 ZINC000306129533 498738683 /nfs/dbraw/zinc/73/86/83/498738683.db2.gz IGJSKFBSWMVDMF-MOPGFXCFSA-N 1 2 369.428 3.076 40 30 FGEBLO CN(C)c1ccc(/C=C2\C[NH2+]C/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1 ZINC000031817905 493962870 /nfs/dbraw/zinc/96/28/70/493962870.db2.gz PQXIGFCAMSKVHL-IWGRKNQJSA-N 1 2 361.489 3.458 40 30 FGEBLO CC1(C)Oc2ccccc2[C@H]2O[C@](C)(C#CC[NH+]3CCOCC3)CC[C@H]21 ZINC000033348506 494058691 /nfs/dbraw/zinc/05/86/91/494058691.db2.gz MXGIYHZVIKLRKE-SYYKKAFVSA-N 1 2 355.478 3.420 40 30 FGEBLO Cc1ccc2[nH]c(CO[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]3F)nc2c1 ZINC000096112302 495001696 /nfs/dbraw/zinc/00/16/96/495001696.db2.gz YCVJDXVQRGWYOS-XLIONFOSSA-N 1 2 364.424 3.482 40 30 biogenic,in-vitro FGEBLO Cc1ccc2[nH]c(CO[C@H]3C[N@@H+](Cc4cccc(C#N)c4)C[C@H]3F)nc2c1 ZINC000096112302 495001699 /nfs/dbraw/zinc/00/16/99/495001699.db2.gz YCVJDXVQRGWYOS-XLIONFOSSA-N 1 2 364.424 3.482 40 30 biogenic,in-vitro FGEBLO Cc1ccc2nc(CO[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]3F)[nH]c2c1 ZINC000096112302 495001703 /nfs/dbraw/zinc/00/17/03/495001703.db2.gz YCVJDXVQRGWYOS-XLIONFOSSA-N 1 2 364.424 3.482 40 30 biogenic,in-vitro FGEBLO Cc1ccc2nc(CO[C@H]3C[N@@H+](Cc4cccc(C#N)c4)C[C@H]3F)[nH]c2c1 ZINC000096112302 495001706 /nfs/dbraw/zinc/00/17/06/495001706.db2.gz YCVJDXVQRGWYOS-XLIONFOSSA-N 1 2 364.424 3.482 40 30 biogenic,in-vitro FGEBLO Cc1ccc(OCC(=O)/N=C2\[NH+]=C3N=CC=CN3Cc3ccccc32)cc1 ZINC000005574717 204215630 /nfs/dbraw/zinc/21/56/30/204215630.db2.gz VOSZGZRMEGPAKN-ATJXCDBQSA-N 1 2 358.401 3.117 40 30 FGEBLO Cc1ccc2nc(NC3=[NH+]CN([C@@H]4CCCC[C@@H]4C)CN3)nc(C)c2c1 ZINC000019332616 206327332 /nfs/dbraw/zinc/32/73/32/206327332.db2.gz AKQQYSYKXAIBQH-KBXCAEBGSA-N 1 2 352.486 3.223 40 30 FGEBLO C=CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@@H]2c1cccc(O)c1 ZINC000261364307 497407261 /nfs/dbraw/zinc/40/72/61/497407261.db2.gz KOVWCXJCGQSPIN-KRWDZBQOSA-O 1 2 365.438 3.093 40 30 FGEBLO Cn1cnc(C[N@@H+]2CCC[C@H]2c2cccc(Nc3ccc(C#N)nc3)n2)c1 ZINC000585295418 507588374 /nfs/dbraw/zinc/58/83/74/507588374.db2.gz YVOHALSSWXTOTD-IBGZPJMESA-N 1 2 359.437 3.162 40 30 FGEBLO Cn1cnc(C[N@H+]2CCC[C@H]2c2cccc(Nc3ccc(C#N)nc3)n2)c1 ZINC000585295418 507588383 /nfs/dbraw/zinc/58/83/83/507588383.db2.gz YVOHALSSWXTOTD-IBGZPJMESA-N 1 2 359.437 3.162 40 30 FGEBLO N#Cc1ccc2[nH]c(CO[C@H]3C[N@@H+](Cc4ccccc4F)C[C@H]3F)nc2c1 ZINC000096112283 495002324 /nfs/dbraw/zinc/00/23/24/495002324.db2.gz OZXYISQUWXQOBQ-APWZRJJASA-N 1 2 368.387 3.313 40 30 biogenic,in-vitro FGEBLO N#Cc1ccc2[nH]c(CO[C@H]3C[N@H+](Cc4ccccc4F)C[C@H]3F)nc2c1 ZINC000096112283 495002328 /nfs/dbraw/zinc/00/23/28/495002328.db2.gz OZXYISQUWXQOBQ-APWZRJJASA-N 1 2 368.387 3.313 40 30 biogenic,in-vitro FGEBLO Cn1ccnc1C[N@@H+]1CCC[C@@H]1c1cccc(Nc2ccc(C#N)nc2)n1 ZINC000585294472 507587652 /nfs/dbraw/zinc/58/76/52/507587652.db2.gz GDDDIFUEBQYSTI-GOSISDBHSA-N 1 2 359.437 3.162 40 30 FGEBLO Cn1ccnc1C[N@H+]1CCC[C@@H]1c1cccc(Nc2ccc(C#N)nc2)n1 ZINC000585294472 507587662 /nfs/dbraw/zinc/58/76/62/507587662.db2.gz GDDDIFUEBQYSTI-GOSISDBHSA-N 1 2 359.437 3.162 40 30 FGEBLO CCn1c2ccccc2[nH+]c1N1CCN(C(=O)Nc2ccc(C#N)cc2)CC1 ZINC000035291827 204229946 /nfs/dbraw/zinc/22/99/46/204229946.db2.gz HPWVRHUPZPEZKV-UHFFFAOYSA-N 1 2 374.448 3.282 40 30 FGEBLO CCCCCCCC[NH+](CC(=O)N(CC)CC)CC(=O)N(CC)CC ZINC000100933153 495067012 /nfs/dbraw/zinc/06/70/12/495067012.db2.gz NQBPLGYYJQOJQE-UHFFFAOYSA-N 1 2 355.567 3.386 40 30 FGEBLO COc1ccccc1NC(=S)N/N=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000007900110 206211491 /nfs/dbraw/zinc/21/14/91/206211491.db2.gz DFKNGCRWZKQQFK-UDWIEESQSA-N 1 2 351.435 3.201 40 30 FGEBLO Cc1nc(NC2=[NH+]CN([C@@H]3CCC[C@@H](C)[C@H]3C)CN2)nc2ccccc12 ZINC000019332581 494442653 /nfs/dbraw/zinc/44/26/53/494442653.db2.gz HSZAZYDQEZJAEE-HBUWYVDXSA-N 1 2 352.486 3.160 40 30 FGEBLO N#Cc1ccc(Nc2nc([C@@H]3CCCC[N@@H+]3Cc3cn[nH]c3)cs2)cn1 ZINC000585294085 507588208 /nfs/dbraw/zinc/58/82/08/507588208.db2.gz NNTLQDAAFMLQFG-KRWDZBQOSA-N 1 2 365.466 3.026 40 30 FGEBLO N#Cc1ccc(Nc2nc([C@@H]3CCCC[N@H+]3Cc3cn[nH]c3)cs2)cn1 ZINC000585294085 507588216 /nfs/dbraw/zinc/58/82/16/507588216.db2.gz NNTLQDAAFMLQFG-KRWDZBQOSA-N 1 2 365.466 3.026 40 30 FGEBLO C[NH+](C)c1ccc(-n2cccc2/C=N/N2C(=O)c3ccccc3C2=O)cc1 ZINC000408951380 570702142 /nfs/dbraw/zinc/70/21/42/570702142.db2.gz IXQLELSFLYBRMN-HYARGMPZSA-N 1 2 358.401 3.173 40 30 FGEBLO N#Cc1ccc(Nc2nc([C@H]3CCCC[N@@H+]3Cc3cn[nH]c3)cs2)cn1 ZINC000585294086 507587827 /nfs/dbraw/zinc/58/78/27/507587827.db2.gz NNTLQDAAFMLQFG-QGZVFWFLSA-N 1 2 365.466 3.026 40 30 FGEBLO N#Cc1ccc(Nc2nc([C@H]3CCCC[N@H+]3Cc3cn[nH]c3)cs2)cn1 ZINC000585294086 507587833 /nfs/dbraw/zinc/58/78/33/507587833.db2.gz NNTLQDAAFMLQFG-QGZVFWFLSA-N 1 2 365.466 3.026 40 30 FGEBLO Cc1[nH]c(C(=O)NC2(c3noc([C@H]4CCOC4)n3)CCCCCC2)c[nH+]1 ZINC000328764881 571140912 /nfs/dbraw/zinc/14/09/12/571140912.db2.gz GPCKNESQKNSHTC-ZDUSSCGKSA-N 1 2 359.430 3.159 40 30 FGEBLO Cc1ccc(CC(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)s1 ZINC000328988242 499007218 /nfs/dbraw/zinc/00/72/18/499007218.db2.gz CHJZHIIYAUNXSV-DNVCBOLYSA-N 1 2 372.494 3.184 40 30 FGEBLO Cn1cc[nH+]c1[C@@H]1CCN(C([O-])=[NH+]C[C@]2(C)CCCc3ccccc32)C1 ZINC000329326066 499099634 /nfs/dbraw/zinc/09/96/34/499099634.db2.gz UABVGGITMZQSOC-UTKZUKDTSA-N 1 2 352.482 3.418 40 30 FGEBLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC[C@]2(C)CCCc3ccccc32)C1 ZINC000329326066 499099637 /nfs/dbraw/zinc/09/96/37/499099637.db2.gz UABVGGITMZQSOC-UTKZUKDTSA-N 1 2 352.482 3.418 40 30 FGEBLO C=CCOc1cccc(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000110660339 494999378 /nfs/dbraw/zinc/99/93/78/494999378.db2.gz LKBAUKFLKHDYHD-UHFFFAOYSA-N 1 2 352.434 3.336 40 30 FGEBLO CC(C)Nc1nc(NC2CC2)c2c([nH+]1)CCN(Cc1cccc(C#N)c1)C2 ZINC000096254161 209145502 /nfs/dbraw/zinc/14/55/02/209145502.db2.gz MBLWLCABOJFSQL-UHFFFAOYSA-N 1 2 362.481 3.301 40 30 FGEBLO CC(C)Nc1nc2c(c(NC3CC3)n1)C[N@H+](Cc1cccc(C#N)c1)CC2 ZINC000096254161 209145505 /nfs/dbraw/zinc/14/55/05/209145505.db2.gz MBLWLCABOJFSQL-UHFFFAOYSA-N 1 2 362.481 3.301 40 30 FGEBLO CC(C)Nc1nc2c(c(NC3CC3)n1)C[N@@H+](Cc1cccc(C#N)c1)CC2 ZINC000096254161 209145510 /nfs/dbraw/zinc/14/55/10/209145510.db2.gz MBLWLCABOJFSQL-UHFFFAOYSA-N 1 2 362.481 3.301 40 30 FGEBLO Cc1ccc2c(C)nc(NC3=[NH+]CN([C@H]4CCC[C@H](C)[C@H]4C)CN3)nc2c1 ZINC000016994375 494405303 /nfs/dbraw/zinc/40/53/03/494405303.db2.gz UVJAURJSRPJZJF-KHYOSLBOSA-N 1 2 366.513 3.469 40 30 FGEBLO C=CCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)C1=O ZINC000409140195 570731627 /nfs/dbraw/zinc/73/16/27/570731627.db2.gz GCNRDTMXSBXKKA-CPNJWEJPSA-N 1 2 364.449 3.239 40 30 FGEBLO CC1(C)[C@H]2CC[C@]1(C)C(=O)C2=C[NH2+]Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000034098776 208102649 /nfs/dbraw/zinc/10/26/49/208102649.db2.gz SOXIJFAYYXSXCD-OLMLVEDVSA-N 1 2 360.370 3.329 40 30 FGEBLO CC1(C)Oc2ccccc2[C@@H]2O[C@](C)(C#CC[NH+]3CCOCC3)CC[C@H]21 ZINC000020111585 494467575 /nfs/dbraw/zinc/46/75/75/494467575.db2.gz MXGIYHZVIKLRKE-KAGYGMCKSA-N 1 2 355.478 3.420 40 30 FGEBLO N#Cc1ccc(C(=O)N2C[C@@H]3CCn4c(-c5ccncc5)c[nH+]c4[C@@H]3C2)cc1 ZINC000306141601 498742734 /nfs/dbraw/zinc/74/27/34/498742734.db2.gz WBUWTWPEAVGOSF-RBUKOAKNSA-N 1 2 369.428 3.076 40 30 FGEBLO N#Cc1cccc(C(=O)N2C[C@@H]3CCn4c(-c5ccncc5)c[nH+]c4[C@H]3C2)c1 ZINC000306129534 210051675 /nfs/dbraw/zinc/05/16/75/210051675.db2.gz IGJSKFBSWMVDMF-OALUTQOASA-N 1 2 369.428 3.076 40 30 FGEBLO N#Cc1cccc(C[N@H+]2C[C@@H](F)[C@@H](OCc3nc4ccccc4[nH]3)C2)c1 ZINC000096112170 222029285 /nfs/dbraw/zinc/02/92/85/222029285.db2.gz QZMBGRUPROTPLL-APWZRJJASA-N 1 2 350.397 3.174 40 30 biogenic,in-vitro FGEBLO N#Cc1cccc(C[N@@H+]2C[C@@H](F)[C@@H](OCc3nc4ccccc4[nH]3)C2)c1 ZINC000096112170 222029287 /nfs/dbraw/zinc/02/92/87/222029287.db2.gz QZMBGRUPROTPLL-APWZRJJASA-N 1 2 350.397 3.174 40 30 biogenic,in-vitro FGEBLO COc1cccc(-c2ccc(C#N)c(SCC[NH+]3CCOCC3)n2)c1 ZINC000020528351 525713962 /nfs/dbraw/zinc/71/39/62/525713962.db2.gz OMKSQEIZQOVEPS-UHFFFAOYSA-N 1 2 355.463 3.053 40 30 FGEBLO N#Cc1cccc(C[N@@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccc(F)cc3)no2)c1 ZINC000015674906 220159191 /nfs/dbraw/zinc/15/91/91/220159191.db2.gz VAELJIHUJRRIHP-MSOLQXFVSA-N 1 2 364.380 3.055 40 30 biogenic,in-vitro FGEBLO N#Cc1cccc(C[N@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccc(F)cc3)no2)c1 ZINC000015674906 220159195 /nfs/dbraw/zinc/15/91/95/220159195.db2.gz VAELJIHUJRRIHP-MSOLQXFVSA-N 1 2 364.380 3.055 40 30 biogenic,in-vitro FGEBLO C=CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@@H]2c1ccc(O)cc1 ZINC000261361942 497407421 /nfs/dbraw/zinc/40/74/21/497407421.db2.gz DPLASZKTJWNQLA-KRWDZBQOSA-O 1 2 365.438 3.093 40 30 FGEBLO N#Cc1ccc(C(=O)N2C[C@@H]3CCn4c(-c5ccncc5)c[nH+]c4[C@H]3C2)cc1 ZINC000306141600 210058086 /nfs/dbraw/zinc/05/80/86/210058086.db2.gz WBUWTWPEAVGOSF-OALUTQOASA-N 1 2 369.428 3.076 40 30 FGEBLO Cn1c(CO[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2F)nc2ccccc21 ZINC000096112193 222029874 /nfs/dbraw/zinc/02/98/74/222029874.db2.gz SYZIYWCQKVQBDR-XLIONFOSSA-N 1 2 364.424 3.184 40 30 biogenic,in-vitro FGEBLO Cn1c(CO[C@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2F)nc2ccccc21 ZINC000096112193 222029877 /nfs/dbraw/zinc/02/98/77/222029877.db2.gz SYZIYWCQKVQBDR-XLIONFOSSA-N 1 2 364.424 3.184 40 30 biogenic,in-vitro FGEBLO C=CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@H]2c1cccc(O)c1 ZINC000261364308 497407569 /nfs/dbraw/zinc/40/75/69/497407569.db2.gz KOVWCXJCGQSPIN-QGZVFWFLSA-O 1 2 365.438 3.093 40 30 FGEBLO Cn1cc[nH+]c1[C@@H]1CCN(C([O-])=[NH+]C[C@@]2(C)CCCc3ccccc32)C1 ZINC000329326065 499099989 /nfs/dbraw/zinc/09/99/89/499099989.db2.gz UABVGGITMZQSOC-DYESRHJHSA-N 1 2 352.482 3.418 40 30 FGEBLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC[C@@]2(C)CCCc3ccccc32)C1 ZINC000329326065 499099993 /nfs/dbraw/zinc/09/99/93/499099993.db2.gz UABVGGITMZQSOC-DYESRHJHSA-N 1 2 352.482 3.418 40 30 FGEBLO O=[N+]([O-])c1ccc(/C=N/N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000019848775 220302181 /nfs/dbraw/zinc/30/21/81/220302181.db2.gz SSSRRPSNEAAEKL-DEDYPNTBSA-N 1 2 358.829 3.400 40 30 FGEBLO C=C(C)C[NH+]1CCN(C(=O)c2ccc3c(c2)nnn3C2CCCCC2)CC1 ZINC000057811666 518603039 /nfs/dbraw/zinc/60/30/39/518603039.db2.gz KAYQCNZRACRPGE-UHFFFAOYSA-N 1 2 367.497 3.270 40 30 FGEBLO COCc1nnc(NC(=O)C[NH+]2CCC(Cc3ccccc3)CC2)s1 ZINC000019594511 263374675 /nfs/dbraw/zinc/37/46/75/263374675.db2.gz XASUAGDUUKBMAI-UHFFFAOYSA-N 1 2 360.483 3.227 40 30 FGEBLO CN(C)c1ccc(/C=C2\C[NH2+]C/C(=C/c3ccc(N(C)C)cc3)C2=O)cc1 ZINC000017176781 220209120 /nfs/dbraw/zinc/20/91/20/220209120.db2.gz PQXIGFCAMSKVHL-LRVMPXQBSA-N 1 2 361.489 3.458 40 30 FGEBLO N#Cc1c(Cl)nc(N2CCOCC2)c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000019418274 132887771 /nfs/dbraw/zinc/88/77/71/132887771.db2.gz CXWRUJBEQIKCKH-UHFFFAOYSA-N 1 2 368.868 3.002 40 30 FGEBLO N#Cc1c(Cl)nc(N2CCOCC2)c2c1CC[N@H+](Cc1ccccc1)C2 ZINC000019418274 132887773 /nfs/dbraw/zinc/88/77/73/132887773.db2.gz CXWRUJBEQIKCKH-UHFFFAOYSA-N 1 2 368.868 3.002 40 30 FGEBLO FC(F)(F)c1ccc(N[NH+]=Cc2ccc(N3CCOCC3)cc2)nc1 ZINC000034878163 494069604 /nfs/dbraw/zinc/06/96/04/494069604.db2.gz YGHGYORICADZHN-JJFYIABZSA-N 1 2 350.344 3.383 40 30 FGEBLO CN(C)c1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3cccc(C#N)c3)n2)cn1 ZINC000035426227 494076599 /nfs/dbraw/zinc/07/65/99/494076599.db2.gz OJZOJGKVUZSXJZ-SFHVURJKSA-N 1 2 374.448 3.406 40 30 biogenic,in-vitro FGEBLO CN(C)c1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3cccc(C#N)c3)n2)cn1 ZINC000035426227 494076602 /nfs/dbraw/zinc/07/66/02/494076602.db2.gz OJZOJGKVUZSXJZ-SFHVURJKSA-N 1 2 374.448 3.406 40 30 biogenic,in-vitro FGEBLO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(C#N)cc2)C[C@H]1c1nc2ccccc2[nH]1 ZINC000301055014 529805883 /nfs/dbraw/zinc/80/58/83/529805883.db2.gz SFNSLLSYNZWZQG-LPHOPBHVSA-N 1 2 374.448 3.392 40 30 FGEBLO C[N@H+]1CC[C@H](NC(=O)Nc2ccc(C#N)cc2)C[C@H]1c1nc2ccccc2[nH]1 ZINC000301055014 529805884 /nfs/dbraw/zinc/80/58/84/529805884.db2.gz SFNSLLSYNZWZQG-LPHOPBHVSA-N 1 2 374.448 3.392 40 30 FGEBLO O=[N+]([O-])c1cccc(/C=N\N2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000019771898 263376511 /nfs/dbraw/zinc/37/65/11/263376511.db2.gz AFDSHHOLWQSBQT-MOSHPQCFSA-N 1 2 358.829 3.400 40 30 FGEBLO CNc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3cccc(C#N)c3)n2)cn1 ZINC000035426099 494076244 /nfs/dbraw/zinc/07/62/44/494076244.db2.gz YKFVYKFHGOKBJM-KRWDZBQOSA-N 1 2 360.421 3.382 40 30 biogenic,in-vitro FGEBLO CNc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3cccc(C#N)c3)n2)cn1 ZINC000035426099 494076248 /nfs/dbraw/zinc/07/62/48/494076248.db2.gz YKFVYKFHGOKBJM-KRWDZBQOSA-N 1 2 360.421 3.382 40 30 biogenic,in-vitro FGEBLO Cc1ccc2nc(NC3=[NH+]CN([C@H]4CCCC[C@H]4C)CN3)nc(C)c2c1 ZINC000019332604 494442594 /nfs/dbraw/zinc/44/25/94/494442594.db2.gz AKQQYSYKXAIBQH-KDOFPFPSSA-N 1 2 352.486 3.223 40 30 FGEBLO COc1cc(/C=N\N2CC[NH+](Cc3ccccc3Cl)CC2)ccc1O ZINC000016677833 522003737 /nfs/dbraw/zinc/00/37/37/522003737.db2.gz TWOVPXJLYZAGRE-BKUYFWCQSA-N 1 2 359.857 3.206 40 30 FGEBLO Cc1ccc2c(C)nc(NC3=[NH+]CN([C@H]4CCC[C@@H](C)[C@H]4C)CN3)nc2c1 ZINC000016994371 220199572 /nfs/dbraw/zinc/19/95/72/220199572.db2.gz UVJAURJSRPJZJF-CLCXKQKWSA-N 1 2 366.513 3.469 40 30 FGEBLO