smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c2ccccc2n2cc(-c3ccccc3)[nH+]c12 ZINC000000034781 344025237 /nfs/dbraw/zinc/02/52/37/344025237.db2.gz GPFLNEOQVWXLGV-UHFFFAOYSA-N 1 2 247.301 3.493 40 0 BGABLO Nc1cccn2cc(-c3ccc(Cl)cc3)[nH+]c12 ZINC000000128616 345168361 /nfs/dbraw/zinc/16/83/61/345168361.db2.gz NTRRUXRJXKREQR-UHFFFAOYSA-N 1 2 243.697 3.237 40 0 BGABLO Cc1ccc2[nH+]c(-c3ccsc3)cn2c1 ZINC000000154222 385294995 /nfs/dbraw/zinc/29/49/95/385294995.db2.gz ZRIOYPHAUQZJMW-UHFFFAOYSA-N 1 2 214.293 3.371 40 0 BGABLO Cc1cc(N2CCCC2)nc(-c2ccccc2)[nH+]1 ZINC000000180501 178112927 /nfs/dbraw/zinc/11/29/27/178112927.db2.gz QNSBAZNHXQLIRI-UHFFFAOYSA-N 1 2 239.322 3.052 40 0 BGABLO CCn1c(C)[nH+]c2cc(Br)ccc21 ZINC000000243458 172137804 /nfs/dbraw/zinc/13/78/04/172137804.db2.gz MEHCOITYQHITIZ-UHFFFAOYSA-N 1 2 239.116 3.127 40 0 BGABLO c1csc(-c2c[nH+]c3n2CCCCC3)c1 ZINC000000496310 345967523 /nfs/dbraw/zinc/96/75/23/345967523.db2.gz RWPRCBZYEVWGKN-UHFFFAOYSA-N 1 2 218.325 3.338 40 0 BGABLO Cc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000000500583 178327988 /nfs/dbraw/zinc/32/79/88/178327988.db2.gz KSNWZOPVUAAPHJ-UHFFFAOYSA-N 1 2 212.296 3.195 40 0 BGABLO C[NH+](C)c1ccc(NCc2cccs2)cc1 ZINC000000570678 342690474 /nfs/dbraw/zinc/69/04/74/342690474.db2.gz VRWIIIXXFUAKGG-UHFFFAOYSA-N 1 2 232.352 3.426 40 0 BGABLO c1ccc2c(c1)ccc1c2C[N@H+]2CCC[C@H]2N1 ZINC000001556822 383904344 /nfs/dbraw/zinc/90/43/44/383904344.db2.gz AFBJPPBHSFHXIQ-HNNXBMFYSA-N 1 2 224.307 3.187 40 0 BGABLO c1ccc2c(c1)ccc1c2C[N@@H+]2CCC[C@H]2N1 ZINC000001556822 383904337 /nfs/dbraw/zinc/90/43/37/383904337.db2.gz AFBJPPBHSFHXIQ-HNNXBMFYSA-N 1 2 224.307 3.187 40 0 BGABLO C1=[NH+][C@@H]2c3c1cccc3Cc1ccccc12 ZINC000001593738 342704807 /nfs/dbraw/zinc/70/48/07/342704807.db2.gz KUIHQEWIYUMMHZ-HNNXBMFYSA-N 1 2 205.260 3.113 40 0 BGABLO Cc1cccc(Cc2[nH]c3ccccc3[nH+]2)c1 ZINC000001655455 342707338 /nfs/dbraw/zinc/70/73/38/342707338.db2.gz HDVTYHIYZACROK-UHFFFAOYSA-N 1 2 222.291 3.462 40 0 BGABLO [NH2+]=C1S[C@@H]2CCCCCC[C@H]2S1 ZINC000001711751 181207652 /nfs/dbraw/zinc/20/76/52/181207652.db2.gz BNADQSGHSXOPSJ-HTQZYQBOSA-N 1 2 201.360 3.493 40 0 BGABLO [NH2+]=C1S[C@H]2CCCCCC[C@@H]2S1 ZINC000001711754 181207854 /nfs/dbraw/zinc/20/78/54/181207854.db2.gz BNADQSGHSXOPSJ-YUMQZZPRSA-N 1 2 201.360 3.493 40 0 BGABLO C[C@@H]1N=[NH+]N(c2ccccc2)[C@@H]1N1CCCCC1 ZINC000001720289 383931725 /nfs/dbraw/zinc/93/17/25/383931725.db2.gz HNFGPOCRVZTPGM-JSGCOSHPSA-N 1 2 244.342 3.074 40 0 BGABLO C[C@H]1N=[NH+]N(c2ccccc2)[C@@H]1N1CCCCC1 ZINC000001720290 177393296 /nfs/dbraw/zinc/39/32/96/177393296.db2.gz HNFGPOCRVZTPGM-OCCSQVGLSA-N 1 2 244.342 3.074 40 0 BGABLO C[C@@H]1N=[NH+]N(c2ccccc2)[C@H]1N1CCCCC1 ZINC000001720291 383930938 /nfs/dbraw/zinc/93/09/38/383930938.db2.gz HNFGPOCRVZTPGM-GXTWGEPZSA-N 1 2 244.342 3.074 40 0 BGABLO C[C@H]1N=[NH+]N(c2ccccc2)[C@H]1N1CCCCC1 ZINC000001720292 177393676 /nfs/dbraw/zinc/39/36/76/177393676.db2.gz HNFGPOCRVZTPGM-TZMCWYRMSA-N 1 2 244.342 3.074 40 0 BGABLO Nc1c(NCc2ccccc2)ccc2[nH+]cccc12 ZINC000001720836 342711094 /nfs/dbraw/zinc/71/10/94/342711094.db2.gz CMFDRSAVLMTHPW-UHFFFAOYSA-N 1 2 249.317 3.429 40 0 BGABLO Cc1ccc(C[C@@H]2[NH2+][C@@H]2c2ccccc2)cc1 ZINC000001731685 342711618 /nfs/dbraw/zinc/71/16/18/342711618.db2.gz MWDAQHHYGHIIPU-JKSUJKDBSA-N 1 2 223.319 3.251 40 0 BGABLO Cc1ccc(C[C@H]2[NH2+][C@@H]2c2ccccc2)cc1 ZINC000001731686 342711702 /nfs/dbraw/zinc/71/17/02/342711702.db2.gz MWDAQHHYGHIIPU-HZPDHXFCSA-N 1 2 223.319 3.251 40 0 BGABLO Cc1ccc(C[C@@H]2[NH2+][C@H]2c2ccccc2)cc1 ZINC000001731687 342711578 /nfs/dbraw/zinc/71/15/78/342711578.db2.gz MWDAQHHYGHIIPU-HOTGVXAUSA-N 1 2 223.319 3.251 40 0 BGABLO Cc1ccc(C[C@H]2[NH2+][C@H]2c2ccccc2)cc1 ZINC000001731688 342711623 /nfs/dbraw/zinc/71/16/23/342711623.db2.gz MWDAQHHYGHIIPU-CVEARBPZSA-N 1 2 223.319 3.251 40 0 BGABLO CC(C)(C)c1ccc(OCc2c[nH+]c[nH]2)cc1 ZINC000001742562 342712142 /nfs/dbraw/zinc/71/21/42/342712142.db2.gz JYMXBSQHEXWYRT-UHFFFAOYSA-N 1 2 230.311 3.286 40 0 BGABLO CC(C)(C)c1ccc(OCc2c[nH]c[nH+]2)cc1 ZINC000001742562 342712141 /nfs/dbraw/zinc/71/21/41/342712141.db2.gz JYMXBSQHEXWYRT-UHFFFAOYSA-N 1 2 230.311 3.286 40 0 BGABLO C[C@H](Cc1ccccc1)Nc1cccc[nH+]1 ZINC000001870622 342713256 /nfs/dbraw/zinc/71/32/56/342713256.db2.gz XMPNYMQNIGVVBV-GFCCVEGCSA-N 1 2 212.296 3.125 40 0 BGABLO [NH2+]=C1SCc2c3ccccc3sc21 ZINC000001872890 181207885 /nfs/dbraw/zinc/20/78/85/181207885.db2.gz OZCCCLARPBJJJJ-UHFFFAOYSA-N 1 2 205.307 3.473 40 0 BGABLO Cc1cc(Cl)c2ccc(N(C)C)cc2[nH+]1 ZINC000001873909 178062375 /nfs/dbraw/zinc/06/23/75/178062375.db2.gz DWXPSBGKEMNITB-UHFFFAOYSA-N 1 2 220.703 3.263 40 0 BGABLO c1ccc2c(c1)ccc1c2C[N@H+]2CCC[C@@H]2N1 ZINC000002031932 383946670 /nfs/dbraw/zinc/94/66/70/383946670.db2.gz AFBJPPBHSFHXIQ-OAHLLOKOSA-N 1 2 224.307 3.187 40 0 BGABLO c1ccc2c(c1)ccc1c2C[N@@H+]2CCC[C@@H]2N1 ZINC000002031932 383946666 /nfs/dbraw/zinc/94/66/66/383946666.db2.gz AFBJPPBHSFHXIQ-OAHLLOKOSA-N 1 2 224.307 3.187 40 0 BGABLO CC1(C)[C@H]2C[C@@H]1c1cc3c([nH+]c1C2)CCC3 ZINC000002128766 397736771 /nfs/dbraw/zinc/73/67/71/397736771.db2.gz MQOHZPCVKKMZNP-CMPLNLGQSA-N 1 2 213.324 3.256 40 0 BGABLO Cc1cc([C@@H]2C[N@H+](C(C)(C)C)CO2)cc(C)c1N ZINC000002529770 178240872 /nfs/dbraw/zinc/24/08/72/178240872.db2.gz FJMSXUDQWAEDET-ZDUSSCGKSA-N 1 2 248.370 3.015 40 0 BGABLO Cc1cc([C@@H]2C[N@@H+](C(C)(C)C)CO2)cc(C)c1N ZINC000002529770 178240867 /nfs/dbraw/zinc/24/08/67/178240867.db2.gz FJMSXUDQWAEDET-ZDUSSCGKSA-N 1 2 248.370 3.015 40 0 BGABLO Cc1[nH+]c2ccccc2n1Cc1ccc(O)cc1 ZINC000004386750 180103677 /nfs/dbraw/zinc/10/36/77/180103677.db2.gz SJHOBEPIIXWAPF-UHFFFAOYSA-N 1 2 238.290 3.099 40 0 BGABLO c1cc2c(c(NC3=[NH+]CCCS3)c1)CCCC2 ZINC000005010929 183365684 /nfs/dbraw/zinc/36/56/84/183365684.db2.gz UOMFLZNHLUVGJL-UHFFFAOYSA-N 1 2 246.379 3.470 40 0 BGABLO Cc1[nH+]c2ccccn2c1-c1ccccc1 ZINC000005401498 180105290 /nfs/dbraw/zinc/10/52/90/180105290.db2.gz UYURFDNPGHDRFZ-UHFFFAOYSA-N 1 2 208.264 3.310 40 0 BGABLO CSC(=N)SCCSC(=[NH2+])SC ZINC000005515284 385038665 /nfs/dbraw/zinc/03/86/65/385038665.db2.gz KXEJUGKXJNZEEF-UHFFFAOYSA-N 1 2 240.444 3.048 40 0 BGABLO C[C@@H](Cc1ccccc1)Nc1cccc[nH+]1 ZINC000005763162 342769800 /nfs/dbraw/zinc/76/98/00/342769800.db2.gz XMPNYMQNIGVVBV-LBPRGKRZSA-N 1 2 212.296 3.125 40 0 BGABLO C1=[NH+][C@H]2c3c1cccc3Cc1ccccc12 ZINC000006576138 342779663 /nfs/dbraw/zinc/77/96/63/342779663.db2.gz KUIHQEWIYUMMHZ-OAHLLOKOSA-N 1 2 205.260 3.113 40 0 BGABLO S=C1CC(N2CCCC2)=[NH+]c2ccccc2N1 ZINC000006576143 342779560 /nfs/dbraw/zinc/77/95/60/342779560.db2.gz TZIIJYDOVXDETG-UHFFFAOYSA-N 1 2 245.351 3.176 40 0 BGABLO CC(C)(C)c1cn2cc(Cl)ccc2[nH+]1 ZINC000006740840 342781942 /nfs/dbraw/zinc/78/19/42/342781942.db2.gz CGVNMLHYILRHEI-UHFFFAOYSA-N 1 2 208.692 3.285 40 0 BGABLO Clc1ccc2c(c1)[C@@H](c1ccccc1)[NH2+]CN2 ZINC000006864488 342785056 /nfs/dbraw/zinc/78/50/56/342785056.db2.gz BZPWBVHPPQZBLJ-CQSZACIVSA-N 1 2 244.725 3.402 40 0 BGABLO Clc1ccc2c(c1)[C@H](c1ccccc1)[NH2+]CN2 ZINC000006864537 342785217 /nfs/dbraw/zinc/78/52/17/342785217.db2.gz BZPWBVHPPQZBLJ-AWEZNQCLSA-N 1 2 244.725 3.402 40 0 BGABLO CCc1c[nH+]ccc1C1CCSCC1 ZINC000008701093 342802901 /nfs/dbraw/zinc/80/29/01/342802901.db2.gz GEGQIWZHEJBIFH-UHFFFAOYSA-N 1 2 207.342 3.255 40 0 BGABLO Cc1ccc([NH+]2C[C@@H](C)C[C@H](C)C2)c(N)c1 ZINC000008702603 132242044 /nfs/dbraw/zinc/24/20/44/132242044.db2.gz QXIUTRMSPXATTE-RYUDHWBXSA-N 1 2 218.344 3.060 40 0 BGABLO Cc1ccc([NH+]2C[C@H](C)C[C@@H](C)C2)c(N)c1 ZINC000008702605 132242166 /nfs/dbraw/zinc/24/21/66/132242166.db2.gz QXIUTRMSPXATTE-VXGBXAGGSA-N 1 2 218.344 3.060 40 0 BGABLO COc1ccc2[nH]c3c(cc[nH+]c3C)c2c1 ZINC000013207947 175202417 /nfs/dbraw/zinc/20/24/17/175202417.db2.gz XYYVPBBISSKKQB-UHFFFAOYSA-N 1 2 212.252 3.033 40 0 BGABLO Clc1ccccc1-c1[nH+]cc2cnccn21 ZINC000013281758 342865166 /nfs/dbraw/zinc/86/51/66/342865166.db2.gz IZOOPPFQLCDVHZ-UHFFFAOYSA-N 1 2 229.670 3.050 40 0 BGABLO c1[nH+]c(CSc2ccccc2)n2ccncc12 ZINC000013283424 384351903 /nfs/dbraw/zinc/35/19/03/384351903.db2.gz LDLGLYUXXXFEEP-UHFFFAOYSA-N 1 2 241.319 3.022 40 0 BGABLO Cc1cc(-c2cc(C)[nH+]c(C)c2)cc(C)n1 ZINC000014983628 355871573 /nfs/dbraw/zinc/87/15/73/355871573.db2.gz RMVCNHRSEKFDJR-UHFFFAOYSA-N 1 2 212.296 3.377 40 0 BGABLO Cc1ccc([N@H+]2C[C@H](C)C[C@H](C)C2)c(N)c1 ZINC000015417908 384315528 /nfs/dbraw/zinc/31/55/28/384315528.db2.gz QXIUTRMSPXATTE-TXEJJXNPSA-N 1 2 218.344 3.060 40 0 BGABLO Cc1ccc([N@@H+]2C[C@H](C)C[C@H](C)C2)c(N)c1 ZINC000015417908 384315524 /nfs/dbraw/zinc/31/55/24/384315524.db2.gz QXIUTRMSPXATTE-TXEJJXNPSA-N 1 2 218.344 3.060 40 0 BGABLO [NH2+]=C1S[C@@H]2CCCCCC[C@@H]2S1 ZINC000016923299 181207363 /nfs/dbraw/zinc/20/73/63/181207363.db2.gz BNADQSGHSXOPSJ-OCAPTIKFSA-N 1 2 201.360 3.493 40 0 BGABLO CC(C)=CCC/C(C)=C\C1N(C)CCC[N@H+]1C ZINC000019326880 384515888 /nfs/dbraw/zinc/51/58/88/384515888.db2.gz HRPUNUYSOQBKCV-OWBHPGMISA-N 1 2 236.403 3.273 40 0 BGABLO CC(C)=CCC/C(C)=C\C1N(C)CCC[N@@H+]1C ZINC000019326880 384515886 /nfs/dbraw/zinc/51/58/86/384515886.db2.gz HRPUNUYSOQBKCV-OWBHPGMISA-N 1 2 236.403 3.273 40 0 BGABLO CC(C)=CCC/C(C)=C/C1N(C)CCC[N@H+]1C ZINC000019339039 342945861 /nfs/dbraw/zinc/94/58/61/342945861.db2.gz HRPUNUYSOQBKCV-WYMLVPIESA-N 1 2 236.403 3.273 40 0 BGABLO CC(C)=CCC/C(C)=C/C1N(C)CCC[N@@H+]1C ZINC000019339039 342945860 /nfs/dbraw/zinc/94/58/60/342945860.db2.gz HRPUNUYSOQBKCV-WYMLVPIESA-N 1 2 236.403 3.273 40 0 BGABLO Cc1ccccc1-c1[nH]c2ccc(N)cc2[nH+]1 ZINC000019475203 179237788 /nfs/dbraw/zinc/23/77/88/179237788.db2.gz PXUIBZXYUBRHFC-UHFFFAOYSA-N 1 2 223.279 3.121 40 0 BGABLO CCOc1ccc(CNc2cccc[nH+]2)cc1 ZINC000019777107 352639246 /nfs/dbraw/zinc/63/92/46/352639246.db2.gz JBJNDYJTYQGHKZ-UHFFFAOYSA-N 1 2 228.295 3.092 40 0 BGABLO CCCOc1ccc(CNc2cccc[nH+]2)cc1 ZINC000019777289 169319206 /nfs/dbraw/zinc/31/92/06/169319206.db2.gz AVLYBYHNAGYVLW-UHFFFAOYSA-N 1 2 242.322 3.483 40 0 BGABLO CCc1ccc(-c2[nH]c3ccc(N)cc3[nH+]2)cc1 ZINC000019807336 347287242 /nfs/dbraw/zinc/28/72/42/347287242.db2.gz FYSMNPVOEPLGIE-UHFFFAOYSA-N 1 2 237.306 3.375 40 0 BGABLO Nc1ccc2[nH]c(-c3cccc(Cl)c3)[nH+]c2c1 ZINC000019807343 188396820 /nfs/dbraw/zinc/39/68/20/188396820.db2.gz AFRQYSRSAOJGSE-UHFFFAOYSA-N 1 2 243.697 3.466 40 0 BGABLO Cc1cccc(-c2[nH]c3ccc(N)cc3[nH+]2)c1 ZINC000019807345 347287661 /nfs/dbraw/zinc/28/76/61/347287661.db2.gz AXZKGLYUIGZCLG-UHFFFAOYSA-N 1 2 223.279 3.121 40 0 BGABLO Nc1ccccc1-n1cc[nH+]c1-c1ccccc1 ZINC000020351869 342982771 /nfs/dbraw/zinc/98/27/71/342982771.db2.gz QLCZLSMCBSWNOF-UHFFFAOYSA-N 1 2 235.290 3.122 40 0 BGABLO Nc1cc(-c2ccccc2)c2ccccc2[nH+]1 ZINC000020506694 360012493 /nfs/dbraw/zinc/01/24/93/360012493.db2.gz VNHXBLBWQFQTTG-UHFFFAOYSA-N 1 2 220.275 3.484 40 0 BGABLO Brc1cccc(C2=[NH+]CCC2)c1 ZINC000022002982 166102012 /nfs/dbraw/zinc/10/20/12/166102012.db2.gz GRWKPAZUDJORHM-UHFFFAOYSA-N 1 2 224.101 3.032 40 0 BGABLO Fc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000026506688 343777111 /nfs/dbraw/zinc/77/71/11/343777111.db2.gz UFZVXOIOAAQVMF-UHFFFAOYSA-N 1 2 216.259 3.026 40 0 BGABLO Cc1cc([C@H]2C[N@H+](C(C)(C)C)CO2)cc(C)c1N ZINC000026891718 178267955 /nfs/dbraw/zinc/26/79/55/178267955.db2.gz FJMSXUDQWAEDET-CYBMUJFWSA-N 1 2 248.370 3.015 40 0 BGABLO Cc1cc([C@H]2C[N@@H+](C(C)(C)C)CO2)cc(C)c1N ZINC000026891718 178267954 /nfs/dbraw/zinc/26/79/54/178267954.db2.gz FJMSXUDQWAEDET-CYBMUJFWSA-N 1 2 248.370 3.015 40 0 BGABLO COc1ccc2[nH+]c(-c3ccc(C)cc3)cn2c1 ZINC000026893787 175227043 /nfs/dbraw/zinc/22/70/43/175227043.db2.gz MYEOZQYOYPUNRQ-UHFFFAOYSA-N 1 2 238.290 3.318 40 0 BGABLO Nc1[nH+]c(-c2ccccc2)cc2ccccc21 ZINC000027518094 343117674 /nfs/dbraw/zinc/11/76/74/343117674.db2.gz LKVNUNSCQWUTRM-UHFFFAOYSA-N 1 2 220.275 3.484 40 0 BGABLO COC(c1ccccc1)(c1ccccc1)[NH+](C)C ZINC000031601285 343221619 /nfs/dbraw/zinc/22/16/19/343221619.db2.gz YFVGWALPSWXAHD-UHFFFAOYSA-N 1 2 241.334 3.096 40 0 BGABLO c1ccc2c(c1)C[NH+]1Cc3ccccc3C2C1 ZINC000031768667 385103641 /nfs/dbraw/zinc/10/36/41/385103641.db2.gz FAHRGPMEBMAVSG-UHFFFAOYSA-N 1 2 221.303 3.148 40 0 BGABLO Cc1cc2[nH]c(CC(C)C)[nH+]c2cc1C ZINC000031943791 178301498 /nfs/dbraw/zinc/30/14/98/178301498.db2.gz BAOAXCHLCZSBED-UHFFFAOYSA-N 1 2 202.301 3.378 40 0 BGABLO FC(F)(F)c1ccccc1-c1[nH]cc[nH+]1 ZINC000034049962 385273047 /nfs/dbraw/zinc/27/30/47/385273047.db2.gz ADIDVEUHTIRRIM-UHFFFAOYSA-N 1 2 212.174 3.096 40 0 BGABLO c1ccc(C[N@H+]2CO[C@@H](c3ccccc3)C2)cc1 ZINC000034079689 385272599 /nfs/dbraw/zinc/27/25/99/385272599.db2.gz WSTMOXNFAMOVCR-MRXNPFEDSA-N 1 2 239.318 3.218 40 0 BGABLO c1ccc(C[N@@H+]2CO[C@@H](c3ccccc3)C2)cc1 ZINC000034079689 385272590 /nfs/dbraw/zinc/27/25/90/385272590.db2.gz WSTMOXNFAMOVCR-MRXNPFEDSA-N 1 2 239.318 3.218 40 0 BGABLO c1ccc(C[N@H+]2CO[C@H](c3ccccc3)C2)cc1 ZINC000034079690 385274217 /nfs/dbraw/zinc/27/42/17/385274217.db2.gz WSTMOXNFAMOVCR-INIZCTEOSA-N 1 2 239.318 3.218 40 0 BGABLO c1ccc(C[N@@H+]2CO[C@H](c3ccccc3)C2)cc1 ZINC000034079690 385274213 /nfs/dbraw/zinc/27/42/13/385274213.db2.gz WSTMOXNFAMOVCR-INIZCTEOSA-N 1 2 239.318 3.218 40 0 BGABLO COC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000034592215 398078274 /nfs/dbraw/zinc/07/82/74/398078274.db2.gz UGSBTEUAKAIGHR-UHFFFAOYSA-N 1 2 241.334 3.293 40 0 BGABLO C1=C[C@H]2C[C@@H]1C[C@H]2c1[nH]c2ccccc2[nH+]1 ZINC000035193537 188276362 /nfs/dbraw/zinc/27/63/62/188276362.db2.gz VDDUKNDESHFTPX-OUAUKWLOSA-N 1 2 210.280 3.243 40 0 BGABLO C1=C[C@H]2C[C@@H]1C[C@@H]2c1[nH]c2ccccc2[nH+]1 ZINC000035193539 188101454 /nfs/dbraw/zinc/10/14/54/188101454.db2.gz VDDUKNDESHFTPX-VWYCJHECSA-N 1 2 210.280 3.243 40 0 BGABLO CC(C)C[NH+](CC(C)C)c1ccccc1N ZINC000036197637 343312217 /nfs/dbraw/zinc/31/22/17/343312217.db2.gz UPBKYPJJNISDJH-UHFFFAOYSA-N 1 2 220.360 3.387 40 0 BGABLO C[NH+](C)c1ccc(Nc2ccccc2N)cc1 ZINC000036335192 188255419 /nfs/dbraw/zinc/25/54/19/188255419.db2.gz FXNOYDLZGRSCIA-UHFFFAOYSA-N 1 2 227.311 3.078 40 0 BGABLO FC(F)(F)CCc1[nH]c2ccccc2[nH+]1 ZINC000036533787 385425826 /nfs/dbraw/zinc/42/58/26/385425826.db2.gz CTQUSTCXWAUNOW-UHFFFAOYSA-N 1 2 214.190 3.058 40 0 BGABLO Oc1ccc([NH2+]CC2CCCCC2)cc1 ZINC000037131868 183274762 /nfs/dbraw/zinc/27/47/62/183274762.db2.gz MVFAWZRKDMSTHS-UHFFFAOYSA-N 1 2 205.301 3.384 40 0 BGABLO CCOC(=[NH2+])Cc1ccc(Br)cc1 ZINC000037928017 170180028 /nfs/dbraw/zinc/18/00/28/170180028.db2.gz DIAFMGBMMOYIGG-UHFFFAOYSA-N 1 2 242.116 3.005 40 0 BGABLO COc1ccc([NH2+]CC(C)(C)C)cc1OC ZINC000041051092 175150230 /nfs/dbraw/zinc/15/02/30/175150230.db2.gz VGJFBKJDEQDVND-UHFFFAOYSA-N 1 2 223.316 3.162 40 0 BGABLO COc1ccc([NH2+]CC2CCCC2)cc1 ZINC000041213781 175150790 /nfs/dbraw/zinc/15/07/90/175150790.db2.gz FWABXEWWSGSPEY-UHFFFAOYSA-N 1 2 205.301 3.297 40 0 BGABLO Oc1cccc2ccc(N3CCCCCC3)[nH+]c12 ZINC000041669444 183298307 /nfs/dbraw/zinc/29/83/07/183298307.db2.gz MGXJKYWHIWTNLD-UHFFFAOYSA-N 1 2 242.322 3.321 40 0 BGABLO CC1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000041669485 132350515 /nfs/dbraw/zinc/35/05/15/132350515.db2.gz RVQQUZAVFKYCRO-UHFFFAOYSA-N 1 2 242.322 3.177 40 0 BGABLO C[C@@H]1CCCCN1c1ccc2cccc(O)c2[nH+]1 ZINC000041669503 538975921 /nfs/dbraw/zinc/97/59/21/538975921.db2.gz PVXIUEVABFWYKK-LLVKDONJSA-N 1 2 242.322 3.319 40 0 BGABLO C[C@H]1CCCCN1c1ccc2cccc(O)c2[nH+]1 ZINC000041669509 538975892 /nfs/dbraw/zinc/97/58/92/538975892.db2.gz PVXIUEVABFWYKK-NSHDSACASA-N 1 2 242.322 3.319 40 0 BGABLO C[C@@H]1CCCN(c2ccc3cccc(O)c3[nH+]2)C1 ZINC000041669521 132350492 /nfs/dbraw/zinc/35/04/92/132350492.db2.gz PFEPNVBURKDABS-LLVKDONJSA-N 1 2 242.322 3.177 40 0 BGABLO C[C@H]1CCCN(c2ccc3cccc(O)c3[nH+]2)C1 ZINC000041669528 132350685 /nfs/dbraw/zinc/35/06/85/132350685.db2.gz PFEPNVBURKDABS-NSHDSACASA-N 1 2 242.322 3.177 40 0 BGABLO Nc1c(Cl)c[nH+]c2cc(C(F)(F)F)ccc12 ZINC000041702280 343423180 /nfs/dbraw/zinc/42/31/80/343423180.db2.gz MFEWSFLTVGBMOK-UHFFFAOYSA-N 1 2 246.619 3.489 40 0 BGABLO c1cc2[nH+]ccc(OCc3ccccc3)c2[nH]1 ZINC000045328782 388651689 /nfs/dbraw/zinc/65/16/89/388651689.db2.gz KOQDYMPPHRAVND-UHFFFAOYSA-N 1 2 224.263 3.142 40 0 BGABLO COc1ccc([NH2+]C2CCCCC2)c(N)c1 ZINC000045958845 175149802 /nfs/dbraw/zinc/14/98/02/175149802.db2.gz PRYFZDFXABYUAT-UHFFFAOYSA-N 1 2 220.316 3.022 40 0 BGABLO Fc1ccc(C[NH+]2CCSCC2)c(Cl)c1 ZINC000047988374 343569614 /nfs/dbraw/zinc/56/96/14/343569614.db2.gz FKEZOMXDPCVBTH-UHFFFAOYSA-N 1 2 245.750 3.028 40 0 BGABLO C[C@@H]1CCCn2cc(-c3ccccc3)[nH+]c21 ZINC000049815179 176154203 /nfs/dbraw/zinc/15/42/03/176154203.db2.gz NMYHBMHWFZZRFI-LLVKDONJSA-N 1 2 212.296 3.447 40 0 BGABLO C[C@H]1CCCn2cc(-c3ccccc3)[nH+]c21 ZINC000049815180 177145537 /nfs/dbraw/zinc/14/55/37/177145537.db2.gz NMYHBMHWFZZRFI-NSHDSACASA-N 1 2 212.296 3.447 40 0 BGABLO C[C@@H]1CCn2cc(-c3ccccc3)[nH+]c2C1 ZINC000049815181 176241345 /nfs/dbraw/zinc/24/13/45/176241345.db2.gz OCAPTIMYLGXFPK-LLVKDONJSA-N 1 2 212.296 3.132 40 0 BGABLO C[C@H]1CCn2cc(-c3ccccc3)[nH+]c2C1 ZINC000049815182 177210958 /nfs/dbraw/zinc/21/09/58/177210958.db2.gz OCAPTIMYLGXFPK-NSHDSACASA-N 1 2 212.296 3.132 40 0 BGABLO C[C@@H]1CCCc2[nH+]c(-c3ccccc3)cn21 ZINC000049815183 176152884 /nfs/dbraw/zinc/15/28/84/176152884.db2.gz PHAWXGHEWFBOFB-LLVKDONJSA-N 1 2 212.296 3.447 40 0 BGABLO C[C@H]1CCCc2[nH+]c(-c3ccccc3)cn21 ZINC000049815184 177144458 /nfs/dbraw/zinc/14/44/58/177144458.db2.gz PHAWXGHEWFBOFB-NSHDSACASA-N 1 2 212.296 3.447 40 0 BGABLO Cc1ccc(-c2cn3c([nH+]2)C[C@H](C)CC3)cc1 ZINC000049820484 178327468 /nfs/dbraw/zinc/32/74/68/178327468.db2.gz YEGSBJHCXZYPMJ-GFCCVEGCSA-N 1 2 226.323 3.441 40 0 BGABLO Cc1ccc(-c2cn3c([nH+]2)C[C@@H](C)CC3)cc1 ZINC000049820486 178328381 /nfs/dbraw/zinc/32/83/81/178328381.db2.gz YEGSBJHCXZYPMJ-LBPRGKRZSA-N 1 2 226.323 3.441 40 0 BGABLO C[C@@H]1CCCn2cc(-c3ccc(N)cc3)[nH+]c21 ZINC000049820872 176153958 /nfs/dbraw/zinc/15/39/58/176153958.db2.gz IXFYUZGWGXCEME-SNVBAGLBSA-N 1 2 227.311 3.030 40 0 BGABLO C[C@H]1CCCn2cc(-c3ccc(N)cc3)[nH+]c21 ZINC000049820873 177145004 /nfs/dbraw/zinc/14/50/04/177145004.db2.gz IXFYUZGWGXCEME-JTQLQIEISA-N 1 2 227.311 3.030 40 0 BGABLO C[C@@H]1CCCn2cc(-c3cccc(N)c3)[nH+]c21 ZINC000049820874 176153413 /nfs/dbraw/zinc/15/34/13/176153413.db2.gz IMSZVRXKKPJISL-SNVBAGLBSA-N 1 2 227.311 3.030 40 0 BGABLO C[C@H]1CCCn2cc(-c3cccc(N)c3)[nH+]c21 ZINC000049820875 177144946 /nfs/dbraw/zinc/14/49/46/177144946.db2.gz IMSZVRXKKPJISL-JTQLQIEISA-N 1 2 227.311 3.030 40 0 BGABLO C[C@@H]1CCCc2[nH+]c(-c3ccc(N)cc3)cn21 ZINC000049820880 176152913 /nfs/dbraw/zinc/15/29/13/176152913.db2.gz ZUXUXJBUFDBIBC-SNVBAGLBSA-N 1 2 227.311 3.030 40 0 BGABLO C[C@H]1CCCc2[nH+]c(-c3ccc(N)cc3)cn21 ZINC000049820881 177144379 /nfs/dbraw/zinc/14/43/79/177144379.db2.gz ZUXUXJBUFDBIBC-JTQLQIEISA-N 1 2 227.311 3.030 40 0 BGABLO C[C@@H]1CCCc2[nH+]c(-c3cccc(N)c3)cn21 ZINC000049820882 176152837 /nfs/dbraw/zinc/15/28/37/176152837.db2.gz UJLQSSVBPGOIFS-SNVBAGLBSA-N 1 2 227.311 3.030 40 0 BGABLO C[C@H]1CCCc2[nH+]c(-c3cccc(N)c3)cn21 ZINC000049820883 177144221 /nfs/dbraw/zinc/14/42/21/177144221.db2.gz UJLQSSVBPGOIFS-JTQLQIEISA-N 1 2 227.311 3.030 40 0 BGABLO c1ccc2c(c1)C[N@@H+](C1CCCCC1)CO2 ZINC000053271478 384778114 /nfs/dbraw/zinc/77/81/14/384778114.db2.gz XHGZPBWAWBFXMR-UHFFFAOYSA-N 1 2 217.312 3.171 40 0 BGABLO c1ccc2c(c1)C[N@H+](C1CCCCC1)CO2 ZINC000053271478 384778107 /nfs/dbraw/zinc/77/81/07/384778107.db2.gz XHGZPBWAWBFXMR-UHFFFAOYSA-N 1 2 217.312 3.171 40 0 BGABLO COc1ccccc1-n1c(C)[nH+]c2ccccc21 ZINC000059111789 388651977 /nfs/dbraw/zinc/65/19/77/388651977.db2.gz GHPVHVUCVKXVRL-UHFFFAOYSA-N 1 2 238.290 3.343 40 0 BGABLO Cc1[nH+]c2c(F)cccc2c(N)c1C(C)C ZINC000061687733 383861064 /nfs/dbraw/zinc/86/10/64/383861064.db2.gz RNTKSCKVGOVCIU-UHFFFAOYSA-N 1 2 218.275 3.388 40 0 BGABLO Cc1cc2[nH+]c(-c3ccc(N)cc3)[nH]c2c(C)c1 ZINC000062152875 386570442 /nfs/dbraw/zinc/57/04/42/386570442.db2.gz UDMWGWVLYVRVLW-UHFFFAOYSA-N 1 2 237.306 3.429 40 0 BGABLO CC[NH+](CC)c1ccc([C@@H]2C[C@@H]2[C@@H](C)O)cc1 ZINC000062713865 385696187 /nfs/dbraw/zinc/69/61/87/385696187.db2.gz OQLPLUXGMGFXRH-DFBGVHRSSA-N 1 2 233.355 3.017 40 0 BGABLO CC[NH+](CC)c1ccc([C@H]2C[C@@H]2[C@@H](C)O)cc1 ZINC000062713868 370075862 /nfs/dbraw/zinc/07/58/62/370075862.db2.gz OQLPLUXGMGFXRH-KCPJHIHWSA-N 1 2 233.355 3.017 40 0 BGABLO CC[NH+](CC)c1ccc([C@@H]2C[C@H]2[C@@H](C)O)cc1 ZINC000062713870 385695042 /nfs/dbraw/zinc/69/50/42/385695042.db2.gz OQLPLUXGMGFXRH-UGFHNGPFSA-N 1 2 233.355 3.017 40 0 BGABLO CC[NH+](CC)c1ccc([C@H]2C[C@H]2[C@@H](C)O)cc1 ZINC000062713871 370075975 /nfs/dbraw/zinc/07/59/75/370075975.db2.gz OQLPLUXGMGFXRH-BYCMXARLSA-N 1 2 233.355 3.017 40 0 BGABLO Cc1cc2[nH+]c(-c3ccncc3)[nH]c2c(C)c1 ZINC000070462789 177885501 /nfs/dbraw/zinc/88/55/01/177885501.db2.gz QTKWAPRMJJUDGT-UHFFFAOYSA-N 1 2 223.279 3.242 40 0 BGABLO Cc1cc2[nH+]c(-c3cccc(N)c3)[nH]c2c(C)c1 ZINC000070462790 387067712 /nfs/dbraw/zinc/06/77/12/387067712.db2.gz JPSYLZKUEVFBTA-UHFFFAOYSA-N 1 2 237.306 3.429 40 0 BGABLO Cc1cc(O)ccc1[NH2+]CC1CCCC1 ZINC000070735648 525340151 /nfs/dbraw/zinc/34/01/51/525340151.db2.gz NLQATWMKZXZOJG-UHFFFAOYSA-N 1 2 205.301 3.303 40 0 BGABLO Cc1cc(N)[nH+]c2c(C)c(Cl)ccc12 ZINC000072206420 259314833 /nfs/dbraw/zinc/31/48/33/259314833.db2.gz YDKOJNCBEQBPOF-UHFFFAOYSA-N 1 2 206.676 3.087 40 0 BGABLO CCSc1ccc(C2=[NH+]CCCC2)cn1 ZINC000072217132 259528090 /nfs/dbraw/zinc/52/80/90/259528090.db2.gz GICAIMSCCYFYOG-UHFFFAOYSA-N 1 2 220.341 3.167 40 0 BGABLO CCSc1ncccc1C1=[NH+]CCCC1 ZINC000072217192 259332550 /nfs/dbraw/zinc/33/25/50/259332550.db2.gz KYDDDUMQVFULRN-UHFFFAOYSA-N 1 2 220.341 3.167 40 0 BGABLO CC(C)Sc1ccc(C2=[NH+]CCC2)cn1 ZINC000072217462 259332687 /nfs/dbraw/zinc/33/26/87/259332687.db2.gz CFKIRYSJFAYCSP-UHFFFAOYSA-N 1 2 220.341 3.165 40 0 BGABLO CC(C)Sc1ncccc1C1=[NH+]CCC1 ZINC000072217522 385091379 /nfs/dbraw/zinc/09/13/79/385091379.db2.gz OLCHWWVRAXEMFH-UHFFFAOYSA-N 1 2 220.341 3.165 40 0 BGABLO c1ccc2ncc(C3=[NH+]CCCC3)cc2c1 ZINC000072219578 385108047 /nfs/dbraw/zinc/10/80/47/385108047.db2.gz PXHSYDXODWJTME-UHFFFAOYSA-N 1 2 210.280 3.208 40 0 BGABLO CNc1[nH+]cc(SC(C)(C)C)cc1C ZINC000072222031 259319914 /nfs/dbraw/zinc/31/99/14/259319914.db2.gz NAWMRIVMBSNONV-UHFFFAOYSA-N 1 2 210.346 3.322 40 0 BGABLO Cc1cc(SC(C)(C)C)c[nH+]c1N(C)C ZINC000072222078 259320037 /nfs/dbraw/zinc/32/00/37/259320037.db2.gz RPRRSPNGHWJCNL-UHFFFAOYSA-N 1 2 224.373 3.347 40 0 BGABLO CCCN(CCC)c1[nH+]cc([C@@H](C)O)cc1C ZINC000072222248 259530934 /nfs/dbraw/zinc/53/09/34/259530934.db2.gz WKWFQZOIPJYSAS-GFCCVEGCSA-N 1 2 236.359 3.070 40 0 BGABLO CCCN(CCC)c1[nH+]cc([C@H](C)O)cc1C ZINC000072222249 385111426 /nfs/dbraw/zinc/11/14/26/385111426.db2.gz WKWFQZOIPJYSAS-LBPRGKRZSA-N 1 2 236.359 3.070 40 0 BGABLO Cc1cc([C@@H](C)O)c[nH+]c1Nc1ccccc1 ZINC000072222275 385110692 /nfs/dbraw/zinc/11/06/92/385110692.db2.gz DLYRPSVIKGRFOA-LLVKDONJSA-N 1 2 228.295 3.187 40 0 BGABLO Cc1cc([C@H](C)O)c[nH+]c1Nc1ccccc1 ZINC000072222276 385111101 /nfs/dbraw/zinc/11/11/01/385111101.db2.gz DLYRPSVIKGRFOA-NSHDSACASA-N 1 2 228.295 3.187 40 0 BGABLO Cc1cc([C@@H](C)O)c[nH+]c1N(C)c1ccccc1 ZINC000072222302 385109905 /nfs/dbraw/zinc/10/99/05/385109905.db2.gz WROYTCSHGBRQJZ-GFCCVEGCSA-N 1 2 242.322 3.211 40 0 BGABLO Cc1cc([C@H](C)O)c[nH+]c1N(C)c1ccccc1 ZINC000072222303 259320938 /nfs/dbraw/zinc/32/09/38/259320938.db2.gz WROYTCSHGBRQJZ-LBPRGKRZSA-N 1 2 242.322 3.211 40 0 BGABLO Cc1cc([C@@H](C)O)c[nH+]c1NCc1ccccc1 ZINC000072222329 385110346 /nfs/dbraw/zinc/11/03/46/385110346.db2.gz HVPMWVSTSSYCJD-GFCCVEGCSA-N 1 2 242.322 3.055 40 0 BGABLO Cc1cc([C@H](C)O)c[nH+]c1NCc1ccccc1 ZINC000072222330 385110378 /nfs/dbraw/zinc/11/03/78/385110378.db2.gz HVPMWVSTSSYCJD-LBPRGKRZSA-N 1 2 242.322 3.055 40 0 BGABLO C=Cc1c[nH+]c(N2CCCCC2)c(C)c1 ZINC000072222469 259319949 /nfs/dbraw/zinc/31/99/49/259319949.db2.gz ADPOSESJYWRZLI-UHFFFAOYSA-N 1 2 202.301 3.023 40 0 BGABLO CC[C@H](O)c1c[nH+]c(N2CCCCCC2)c(C)c1 ZINC000072222486 385111050 /nfs/dbraw/zinc/11/10/50/385111050.db2.gz ZMHFUIBUFWMWHR-AWEZNQCLSA-N 1 2 248.370 3.214 40 0 BGABLO CC[C@@H](O)c1c[nH+]c(N2CCCCCC2)c(C)c1 ZINC000072222487 385109117 /nfs/dbraw/zinc/10/91/17/385109117.db2.gz ZMHFUIBUFWMWHR-CQSZACIVSA-N 1 2 248.370 3.214 40 0 BGABLO C=Cc1c[nH+]c(N2CCCCCC2)c(C)c1 ZINC000072222496 259320016 /nfs/dbraw/zinc/32/00/16/259320016.db2.gz BDVXDRREMARJSW-UHFFFAOYSA-N 1 2 216.328 3.413 40 0 BGABLO CC[C@H](O)c1c[nH+]c(NC(C)(C)C)c(C)c1 ZINC000072222928 259320601 /nfs/dbraw/zinc/32/06/01/259320601.db2.gz VBMGSHINKDICRX-NSHDSACASA-N 1 2 222.332 3.044 40 0 BGABLO CC[C@@H](O)c1c[nH+]c(NC(C)(C)C)c(C)c1 ZINC000072222929 259320808 /nfs/dbraw/zinc/32/08/08/259320808.db2.gz VBMGSHINKDICRX-LLVKDONJSA-N 1 2 222.332 3.044 40 0 BGABLO CNc1cc(C)c(SC(C)(C)C)c[nH+]1 ZINC000072223070 259320759 /nfs/dbraw/zinc/32/07/59/259320759.db2.gz JSDHFRBMNSTEMY-UHFFFAOYSA-N 1 2 210.346 3.322 40 0 BGABLO Cc1cc(N(C)C)[nH+]cc1SC(C)(C)C ZINC000072223118 259320863 /nfs/dbraw/zinc/32/08/63/259320863.db2.gz CFFMSLKZGJYLDA-UHFFFAOYSA-N 1 2 224.373 3.347 40 0 BGABLO Cc1cc(Nc2ccccc2)[nH+]cc1[C@@H](C)O ZINC000072223314 385113123 /nfs/dbraw/zinc/11/31/23/385113123.db2.gz UWPYMLQIFGHZCK-LLVKDONJSA-N 1 2 228.295 3.187 40 0 BGABLO Cc1cc(Nc2ccccc2)[nH+]cc1[C@H](C)O ZINC000072223315 385112993 /nfs/dbraw/zinc/11/29/93/385112993.db2.gz UWPYMLQIFGHZCK-NSHDSACASA-N 1 2 228.295 3.187 40 0 BGABLO Cc1cc(N(C)c2ccccc2)[nH+]cc1[C@@H](C)O ZINC000072223341 385113238 /nfs/dbraw/zinc/11/32/38/385113238.db2.gz ASCJNLHSQYLRGA-GFCCVEGCSA-N 1 2 242.322 3.211 40 0 BGABLO Cc1cc(N(C)c2ccccc2)[nH+]cc1[C@H](C)O ZINC000072223342 385113742 /nfs/dbraw/zinc/11/37/42/385113742.db2.gz ASCJNLHSQYLRGA-LBPRGKRZSA-N 1 2 242.322 3.211 40 0 BGABLO CCC(=O)c1c[nH+]c(N2CCCCCC2)cc1C ZINC000072223522 385113225 /nfs/dbraw/zinc/11/32/25/385113225.db2.gz QYEWJJBGNXIPOU-UHFFFAOYSA-N 1 2 246.354 3.363 40 0 BGABLO CCC(=O)c1c[nH+]c(NC(C)(C)C)cc1C ZINC000072223968 385115901 /nfs/dbraw/zinc/11/59/01/385115901.db2.gz FCJXKTNEHHILBF-UHFFFAOYSA-N 1 2 220.316 3.193 40 0 BGABLO CNc1ccc(SC(C)(C)C)c(C)[nH+]1 ZINC000072224112 385116563 /nfs/dbraw/zinc/11/65/63/385116563.db2.gz WOAINPYRYOZQSY-UHFFFAOYSA-N 1 2 210.346 3.322 40 0 BGABLO Cc1[nH+]c(N(C)C)ccc1SC(C)(C)C ZINC000072224160 385117006 /nfs/dbraw/zinc/11/70/06/385117006.db2.gz MRMFLSACDKSNQU-UHFFFAOYSA-N 1 2 224.373 3.347 40 0 BGABLO Cc1[nH+]c(Nc2ccccc2)ccc1[C@@H](C)O ZINC000072224356 385119564 /nfs/dbraw/zinc/11/95/64/385119564.db2.gz JKKNVHOMCMGVNJ-LLVKDONJSA-N 1 2 228.295 3.187 40 0 BGABLO Cc1[nH+]c(Nc2ccccc2)ccc1[C@H](C)O ZINC000072224357 385119172 /nfs/dbraw/zinc/11/91/72/385119172.db2.gz JKKNVHOMCMGVNJ-NSHDSACASA-N 1 2 228.295 3.187 40 0 BGABLO Cc1[nH+]c(N(C)c2ccccc2)ccc1[C@@H](C)O ZINC000072224383 385119431 /nfs/dbraw/zinc/11/94/31/385119431.db2.gz TXWBOFMGOJSTNE-GFCCVEGCSA-N 1 2 242.322 3.211 40 0 BGABLO Cc1[nH+]c(N(C)c2ccccc2)ccc1[C@H](C)O ZINC000072224384 385119495 /nfs/dbraw/zinc/11/94/95/385119495.db2.gz TXWBOFMGOJSTNE-LBPRGKRZSA-N 1 2 242.322 3.211 40 0 BGABLO CCC(=O)c1ccc(N2CCCCCC2)[nH+]c1C ZINC000072224569 385119590 /nfs/dbraw/zinc/11/95/90/385119590.db2.gz DELXDGFBUAPODG-UHFFFAOYSA-N 1 2 246.354 3.363 40 0 BGABLO CCC(=O)c1ccc(NC(C)(C)C)[nH+]c1C ZINC000072225010 385123031 /nfs/dbraw/zinc/12/30/31/385123031.db2.gz HNSJQEWKJCZZTL-UHFFFAOYSA-N 1 2 220.316 3.193 40 0 BGABLO CCCN(CCC)c1ccc([C@H](O)CC)c[nH+]1 ZINC000072225279 385122768 /nfs/dbraw/zinc/12/27/68/385122768.db2.gz SMKMGHSSUSZAKB-CYBMUJFWSA-N 1 2 236.359 3.151 40 0 BGABLO CCCN(CCC)c1ccc([C@@H](O)CC)c[nH+]1 ZINC000072225280 385122176 /nfs/dbraw/zinc/12/21/76/385122176.db2.gz SMKMGHSSUSZAKB-ZDUSSCGKSA-N 1 2 236.359 3.151 40 0 BGABLO C=Cc1ccc(N(CCC)CCC)[nH+]c1 ZINC000072225289 385121641 /nfs/dbraw/zinc/12/16/41/385121641.db2.gz KLORVYDTRJBARD-UHFFFAOYSA-N 1 2 204.317 3.351 40 0 BGABLO CC[C@H](O)c1ccc(NCc2ccccc2)[nH+]c1 ZINC000072225347 385112407 /nfs/dbraw/zinc/11/24/07/385112407.db2.gz UWCGXCIXPGXMAQ-AWEZNQCLSA-N 1 2 242.322 3.137 40 0 BGABLO CC[C@@H](O)c1ccc(NCc2ccccc2)[nH+]c1 ZINC000072225348 385113959 /nfs/dbraw/zinc/11/39/59/385113959.db2.gz UWCGXCIXPGXMAQ-CQSZACIVSA-N 1 2 242.322 3.137 40 0 BGABLO C=Cc1ccc(NCc2ccccc2)[nH+]c1 ZINC000072225357 385113182 /nfs/dbraw/zinc/11/31/82/385113182.db2.gz ACPFOBOMGLTLNJ-UHFFFAOYSA-N 1 2 210.280 3.337 40 0 BGABLO C=Cc1ccc(N(C)Cc2ccccc2)[nH+]c1 ZINC000072225379 385115961 /nfs/dbraw/zinc/11/59/61/385115961.db2.gz KTEVGIZVFFRUMK-UHFFFAOYSA-N 1 2 224.307 3.361 40 0 BGABLO C=Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC000072225480 385107277 /nfs/dbraw/zinc/10/72/77/385107277.db2.gz XWSHTWVNWGXVHJ-UHFFFAOYSA-N 1 2 202.301 3.105 40 0 BGABLO C=Cc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000072225776 385125377 /nfs/dbraw/zinc/12/53/77/385125377.db2.gz DIQPCQQTESRZNH-UHFFFAOYSA-N 1 2 236.318 3.287 40 0 BGABLO CC(C)Oc1cccc(CNc2cccc[nH+]2)c1 ZINC000072226344 385125741 /nfs/dbraw/zinc/12/57/41/385125741.db2.gz SXXTWJIORJPNJG-UHFFFAOYSA-N 1 2 242.322 3.481 40 0 BGABLO C[NH+](C)c1ccc(-n2cnc3ccccc32)cc1 ZINC000073740202 384021091 /nfs/dbraw/zinc/02/10/91/384021091.db2.gz PPLULJHWOQSMIL-UHFFFAOYSA-N 1 2 237.306 3.092 40 0 BGABLO Clc1ccc(-c2c[nH]c[nH+]2)c(Cl)c1 ZINC000078412296 526932303 /nfs/dbraw/zinc/93/23/03/526932303.db2.gz BXHJPAVYXUNXMP-UHFFFAOYSA-N 1 2 213.067 3.384 40 0 BGABLO c1c[nH+]c(-c2ccccc2-c2ccncc2)[nH]1 ZINC000080441402 183383849 /nfs/dbraw/zinc/38/38/49/183383849.db2.gz WHHYBKOJRVSMRH-UHFFFAOYSA-N 1 2 221.263 3.139 40 0 BGABLO Cc1cc(N2CCCCC2)[nH+]c2c(O)cccc12 ZINC000082307508 537946575 /nfs/dbraw/zinc/94/65/75/537946575.db2.gz JDNNVEQWAITOSA-UHFFFAOYSA-N 1 2 242.322 3.239 40 0 BGABLO Clc1ccc(Cl)c(-c2[nH]cc[nH+]2)c1 ZINC000082733981 384742825 /nfs/dbraw/zinc/74/28/25/384742825.db2.gz XCJMZHFRQAWPMY-UHFFFAOYSA-N 1 2 213.067 3.384 40 0 BGABLO Clc1ccc(-c2[nH]cc[nH+]2)c(Cl)c1 ZINC000082733982 384708909 /nfs/dbraw/zinc/70/89/09/384708909.db2.gz OBOKIMHNZSUNKU-UHFFFAOYSA-N 1 2 213.067 3.384 40 0 BGABLO c1c[nH+]c(-c2ccc(-c3ccccn3)cc2)[nH]1 ZINC000082733983 183379815 /nfs/dbraw/zinc/37/98/15/183379815.db2.gz LTXPORMRFQEYEG-UHFFFAOYSA-N 1 2 221.263 3.139 40 0 BGABLO Clc1cccc(-c2[nH]cc[nH+]2)c1Cl ZINC000082733992 384744342 /nfs/dbraw/zinc/74/43/42/384744342.db2.gz WQZGIDHUBZJOGA-UHFFFAOYSA-N 1 2 213.067 3.384 40 0 BGABLO COc1ccc(-n2c(C)[nH+]c3ccccc32)cc1 ZINC000083261667 388653393 /nfs/dbraw/zinc/65/33/93/388653393.db2.gz HGFYCBUBDMMFHC-UHFFFAOYSA-N 1 2 238.290 3.343 40 0 BGABLO Cc1cc[nH+]cc1NCc1cc(F)cc(F)c1 ZINC000083360668 384504092 /nfs/dbraw/zinc/50/40/92/384504092.db2.gz KHKBKJOMIRUWFG-UHFFFAOYSA-N 1 2 234.249 3.280 40 0 BGABLO Cc1ccc(NCc2cc(F)cc(F)c2)c[nH+]1 ZINC000083360673 384502901 /nfs/dbraw/zinc/50/29/01/384502901.db2.gz MCDYVDAXZQRZKQ-UHFFFAOYSA-N 1 2 234.249 3.280 40 0 BGABLO CCOC(=[NH2+])c1ccc(Br)c(C)c1 ZINC000084194028 520391616 /nfs/dbraw/zinc/39/16/16/520391616.db2.gz NXBWDNBNFQBOAW-UHFFFAOYSA-N 1 2 242.116 3.119 40 0 BGABLO Nc1[nH+]ccc2cc(Cl)c(Cl)cc12 ZINC000085386192 385153074 /nfs/dbraw/zinc/15/30/74/385153074.db2.gz LXRKXJMZWGBMOV-UHFFFAOYSA-N 1 2 213.067 3.124 40 0 BGABLO c1[nH]c2ccc(OCc3ccccc3)cc2[nH+]1 ZINC000089195160 384670024 /nfs/dbraw/zinc/67/00/24/384670024.db2.gz YLLJHBKZAXJEIJ-UHFFFAOYSA-N 1 2 224.263 3.142 40 0 BGABLO CCOC(=[NH2+])c1ccc(Br)cc1C ZINC000090460607 170180508 /nfs/dbraw/zinc/18/05/08/170180508.db2.gz WRLPZYAFBNEWHJ-UHFFFAOYSA-N 1 2 242.116 3.119 40 0 BGABLO CCOC(=[NH2+])CCc1cccc(Cl)c1 ZINC000090460613 256564507 /nfs/dbraw/zinc/56/45/07/256564507.db2.gz IEHPVEATUGPKKQ-UHFFFAOYSA-N 1 2 211.692 3.286 40 0 BGABLO c1sc(C2CCC2)nc1CNc1cccc[nH+]1 ZINC000095093889 384905163 /nfs/dbraw/zinc/90/51/63/384905163.db2.gz JIDTUWLTCKWFNO-UHFFFAOYSA-N 1 2 245.351 3.418 40 0 BGABLO c1coc(C[NH2+]Cc2csc(C3CCC3)n2)c1 ZINC000095093913 384912502 /nfs/dbraw/zinc/91/25/02/384912502.db2.gz SKYXYWGGFSOCSV-UHFFFAOYSA-N 1 2 248.351 3.293 40 0 BGABLO CC(C)C(=O)c1c(N)[nH+]ccc1-c1ccccc1 ZINC000095097494 385435317 /nfs/dbraw/zinc/43/53/17/385435317.db2.gz VYTBQDMIXRMOPR-UHFFFAOYSA-N 1 2 240.306 3.170 40 0 BGABLO C[C@@H]1CCCC[N@H+]1Cc1ccc(S)cc1 ZINC000095738738 176074091 /nfs/dbraw/zinc/07/40/91/176074091.db2.gz MJQOWYXHYSSXKQ-LLVKDONJSA-N 1 2 221.369 3.350 40 0 BGABLO C[C@@H]1CCCC[N@@H+]1Cc1ccc(S)cc1 ZINC000095738738 176074089 /nfs/dbraw/zinc/07/40/89/176074089.db2.gz MJQOWYXHYSSXKQ-LLVKDONJSA-N 1 2 221.369 3.350 40 0 BGABLO C[C@H]1CCCC[N@H+]1Cc1ccc(S)cc1 ZINC000095738739 177076850 /nfs/dbraw/zinc/07/68/50/177076850.db2.gz MJQOWYXHYSSXKQ-NSHDSACASA-N 1 2 221.369 3.350 40 0 BGABLO C[C@H]1CCCC[N@@H+]1Cc1ccc(S)cc1 ZINC000095738739 177076849 /nfs/dbraw/zinc/07/68/49/177076849.db2.gz MJQOWYXHYSSXKQ-NSHDSACASA-N 1 2 221.369 3.350 40 0 BGABLO C[C@@H]1CCCC[N@H+]1Cc1cccc(S)c1 ZINC000095738740 176074037 /nfs/dbraw/zinc/07/40/37/176074037.db2.gz VJADLGKHEQTUIK-LLVKDONJSA-N 1 2 221.369 3.350 40 0 BGABLO C[C@@H]1CCCC[N@@H+]1Cc1cccc(S)c1 ZINC000095738740 176074034 /nfs/dbraw/zinc/07/40/34/176074034.db2.gz VJADLGKHEQTUIK-LLVKDONJSA-N 1 2 221.369 3.350 40 0 BGABLO C[C@H]1CCCC[N@H+]1Cc1cccc(S)c1 ZINC000095738741 177078009 /nfs/dbraw/zinc/07/80/09/177078009.db2.gz VJADLGKHEQTUIK-NSHDSACASA-N 1 2 221.369 3.350 40 0 BGABLO C[C@H]1CCCC[N@@H+]1Cc1cccc(S)c1 ZINC000095738741 177078007 /nfs/dbraw/zinc/07/80/07/177078007.db2.gz VJADLGKHEQTUIK-NSHDSACASA-N 1 2 221.369 3.350 40 0 BGABLO C[C@@H]1CCC[N@@H+](Cc2ccc(S)cc2)C1 ZINC000095738744 176101380 /nfs/dbraw/zinc/10/13/80/176101380.db2.gz JZIXAWMDAOIAGR-LLVKDONJSA-N 1 2 221.369 3.207 40 0 BGABLO C[C@@H]1CCC[N@H+](Cc2ccc(S)cc2)C1 ZINC000095738744 176101379 /nfs/dbraw/zinc/10/13/79/176101379.db2.gz JZIXAWMDAOIAGR-LLVKDONJSA-N 1 2 221.369 3.207 40 0 BGABLO C[C@H]1CCC[N@@H+](Cc2ccc(S)cc2)C1 ZINC000095738745 177101795 /nfs/dbraw/zinc/10/17/95/177101795.db2.gz JZIXAWMDAOIAGR-NSHDSACASA-N 1 2 221.369 3.207 40 0 BGABLO C[C@H]1CCC[N@H+](Cc2ccc(S)cc2)C1 ZINC000095738745 177101792 /nfs/dbraw/zinc/10/17/92/177101792.db2.gz JZIXAWMDAOIAGR-NSHDSACASA-N 1 2 221.369 3.207 40 0 BGABLO C[C@@H]1CCC[N@@H+](Cc2cccc(S)c2)C1 ZINC000095738746 176101418 /nfs/dbraw/zinc/10/14/18/176101418.db2.gz IDGOBMBZBMVFMJ-LLVKDONJSA-N 1 2 221.369 3.207 40 0 BGABLO C[C@@H]1CCC[N@H+](Cc2cccc(S)c2)C1 ZINC000095738746 176101417 /nfs/dbraw/zinc/10/14/17/176101417.db2.gz IDGOBMBZBMVFMJ-LLVKDONJSA-N 1 2 221.369 3.207 40 0 BGABLO C[C@H]1CCC[N@@H+](Cc2cccc(S)c2)C1 ZINC000095738747 177101221 /nfs/dbraw/zinc/10/12/21/177101221.db2.gz IDGOBMBZBMVFMJ-NSHDSACASA-N 1 2 221.369 3.207 40 0 BGABLO C[C@H]1CCC[N@H+](Cc2cccc(S)c2)C1 ZINC000095738747 177101220 /nfs/dbraw/zinc/10/12/20/177101220.db2.gz IDGOBMBZBMVFMJ-NSHDSACASA-N 1 2 221.369 3.207 40 0 BGABLO CC1CC[NH+](Cc2ccc(S)cc2)CC1 ZINC000095738750 168184495 /nfs/dbraw/zinc/18/44/95/168184495.db2.gz RMTUTWRXTHQKCL-UHFFFAOYSA-N 1 2 221.369 3.207 40 0 BGABLO CC1CC[NH+](Cc2cccc(S)c2)CC1 ZINC000095738751 168184884 /nfs/dbraw/zinc/18/48/84/168184884.db2.gz PZPFJAILMPTREP-UHFFFAOYSA-N 1 2 221.369 3.207 40 0 BGABLO Sc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000095738951 387005386 /nfs/dbraw/zinc/00/53/86/387005386.db2.gz DBTCCNSUWCMDKV-UHFFFAOYSA-N 1 2 221.369 3.351 40 0 BGABLO Sc1cccc(C[NH+]2CCCCCC2)c1 ZINC000095738953 188187233 /nfs/dbraw/zinc/18/72/33/188187233.db2.gz YFHUBXYSXMXUEK-UHFFFAOYSA-N 1 2 221.369 3.351 40 0 BGABLO CCCC[N@@H+](C)Cc1ccc(S)cc1 ZINC000095740012 384586286 /nfs/dbraw/zinc/58/62/86/384586286.db2.gz OBTDSBLASMPIRD-UHFFFAOYSA-N 1 2 209.358 3.207 40 0 BGABLO CCCC[N@H+](C)Cc1ccc(S)cc1 ZINC000095740012 384586275 /nfs/dbraw/zinc/58/62/75/384586275.db2.gz OBTDSBLASMPIRD-UHFFFAOYSA-N 1 2 209.358 3.207 40 0 BGABLO CCCC[N@@H+](C)Cc1cccc(S)c1 ZINC000095740013 387005274 /nfs/dbraw/zinc/00/52/74/387005274.db2.gz PBIUUVITJHGEKR-UHFFFAOYSA-N 1 2 209.358 3.207 40 0 BGABLO CCCC[N@H+](C)Cc1cccc(S)c1 ZINC000095740013 387005269 /nfs/dbraw/zinc/00/52/69/387005269.db2.gz PBIUUVITJHGEKR-UHFFFAOYSA-N 1 2 209.358 3.207 40 0 BGABLO CC(C)C[NH2+]NCc1cccc2ccccc21 ZINC000095917801 167009762 /nfs/dbraw/zinc/00/97/62/167009762.db2.gz RYAHKIDYMYIWAN-UHFFFAOYSA-N 1 2 228.339 3.090 40 0 BGABLO CC(C)c1cn2cc(C(F)(F)F)cc(N)c2[nH+]1 ZINC000096510234 385242689 /nfs/dbraw/zinc/24/26/89/385242689.db2.gz CEGSQDSPMDATJT-UHFFFAOYSA-N 1 2 243.232 3.059 40 0 BGABLO Nc1[nH+]cc2ccccc2c1-c1ccccc1 ZINC000098175203 384596584 /nfs/dbraw/zinc/59/65/84/384596584.db2.gz DQPLRTLLLDIYAV-UHFFFAOYSA-N 1 2 220.275 3.484 40 0 BGABLO COc1ccc(-c2cc[nH+]c(C)c2)cc1OC ZINC000098175330 175035359 /nfs/dbraw/zinc/03/53/59/175035359.db2.gz BJEDDLAWLWJGSU-UHFFFAOYSA-N 1 2 229.279 3.074 40 0 BGABLO [NH3+]C1=CC/C(=C(/F)c2ccc(F)cc2)C=C1 ZINC000100502424 181338035 /nfs/dbraw/zinc/33/80/35/181338035.db2.gz MNJQSAGJBAABSV-JLHYYAGUSA-N 1 2 219.234 3.309 40 0 BGABLO Cc1ccc2[nH+]c(-c3ccccc3F)cn2c1 ZINC000105689966 343785796 /nfs/dbraw/zinc/78/57/96/343785796.db2.gz QYNFYZIMAREBRW-UHFFFAOYSA-N 1 2 226.254 3.449 40 0 BGABLO Cc1ccc2[nH+]c(-c3cccc(F)c3)cn2c1 ZINC000105941033 343785853 /nfs/dbraw/zinc/78/58/53/343785853.db2.gz XJRAQVXPKFDBDK-UHFFFAOYSA-N 1 2 226.254 3.449 40 0 BGABLO Cc1cccn2cc(-c3cccc(F)c3)[nH+]c12 ZINC000107875865 343785757 /nfs/dbraw/zinc/78/57/57/343785757.db2.gz DEZQIYPJKGSBQQ-UHFFFAOYSA-N 1 2 226.254 3.449 40 0 BGABLO CC[NH+](CC)c1ccc([C@@H]2C[C@@H]2[C@H](C)O)cc1 ZINC000108350624 369390477 /nfs/dbraw/zinc/39/04/77/369390477.db2.gz OQLPLUXGMGFXRH-GLQYFDAESA-N 1 2 233.355 3.017 40 0 BGABLO CC[NH+](CC)c1ccc([C@@H]2C[C@H]2[C@H](C)O)cc1 ZINC000108350630 369390472 /nfs/dbraw/zinc/39/04/72/369390472.db2.gz OQLPLUXGMGFXRH-CQDKDKBSSA-N 1 2 233.355 3.017 40 0 BGABLO FC(F)(F)Oc1cc2[nH+]c[nH]c2cc1Cl ZINC000115457189 344196918 /nfs/dbraw/zinc/19/69/18/344196918.db2.gz QIAASKAALAUUCM-UHFFFAOYSA-N 1 2 236.580 3.115 40 0 BGABLO CCOC(=[NH2+])c1ccc(C)cc1Br ZINC000116938264 170180317 /nfs/dbraw/zinc/18/03/17/170180317.db2.gz DFULHMQCEZNILS-UHFFFAOYSA-N 1 2 242.116 3.119 40 0 BGABLO Cc1[nH+]cccc1NCc1cc(F)cc(F)c1 ZINC000119230657 180226091 /nfs/dbraw/zinc/22/60/91/180226091.db2.gz WBEDMZAECFNZMR-UHFFFAOYSA-N 1 2 234.249 3.280 40 0 BGABLO Cc1c[nH+]cc(NCc2cc(F)cc(F)c2)c1 ZINC000119239432 384910622 /nfs/dbraw/zinc/91/06/22/384910622.db2.gz IAHOURKAFDAHLG-UHFFFAOYSA-N 1 2 234.249 3.280 40 0 BGABLO Cc1cccc(-c2cn3c([nH+]2)CCCC3)c1 ZINC000135887029 409994661 /nfs/dbraw/zinc/99/46/61/409994661.db2.gz PIFXRCNYLSTZRD-UHFFFAOYSA-N 1 2 212.296 3.195 40 0 BGABLO Cc1ccccc1-c1cn2c([nH+]1)CCCC2 ZINC000135888603 409994223 /nfs/dbraw/zinc/99/42/23/409994223.db2.gz PFJVBVCIUAOJEV-UHFFFAOYSA-N 1 2 212.296 3.195 40 0 BGABLO Cc1cccc(-c2cn3c([nH+]2)C[C@H](C)CC3)c1 ZINC000135890230 384470735 /nfs/dbraw/zinc/47/07/35/384470735.db2.gz YCBAAHIRUVDFCG-GFCCVEGCSA-N 1 2 226.323 3.441 40 0 BGABLO Cc1cccc(-c2cn3c([nH+]2)C[C@@H](C)CC3)c1 ZINC000135890262 409993960 /nfs/dbraw/zinc/99/39/60/409993960.db2.gz YCBAAHIRUVDFCG-LBPRGKRZSA-N 1 2 226.323 3.441 40 0 BGABLO Cc1ccccc1-c1cn2c([nH+]1)C[C@H](C)CC2 ZINC000135892780 409992559 /nfs/dbraw/zinc/99/25/59/409992559.db2.gz QKMXCSUGBFWCNS-LLVKDONJSA-N 1 2 226.323 3.441 40 0 BGABLO Cc1ccccc1-c1cn2c([nH+]1)C[C@@H](C)CC2 ZINC000135892817 409994382 /nfs/dbraw/zinc/99/43/82/409994382.db2.gz QKMXCSUGBFWCNS-NSHDSACASA-N 1 2 226.323 3.441 40 0 BGABLO Cc1cccc(-c2cn3c([nH+]2)CC[C@H](C)C3)c1 ZINC000135906704 409993712 /nfs/dbraw/zinc/99/37/12/409993712.db2.gz DPVHFACLISWSKB-LBPRGKRZSA-N 1 2 226.323 3.441 40 0 BGABLO Cc1cccc(-c2cn3c([nH+]2)CC[C@@H](C)C3)c1 ZINC000135906745 409993621 /nfs/dbraw/zinc/99/36/21/409993621.db2.gz DPVHFACLISWSKB-GFCCVEGCSA-N 1 2 226.323 3.441 40 0 BGABLO Cc1ccc(-c2cn3c([nH+]2)CC[C@H](C)C3)cc1 ZINC000135907176 409994795 /nfs/dbraw/zinc/99/47/95/409994795.db2.gz IESRWYJTEWVBOZ-LBPRGKRZSA-N 1 2 226.323 3.441 40 0 BGABLO Cc1ccc(-c2cn3c([nH+]2)CC[C@@H](C)C3)cc1 ZINC000135907212 409993329 /nfs/dbraw/zinc/99/33/29/409993329.db2.gz IESRWYJTEWVBOZ-GFCCVEGCSA-N 1 2 226.323 3.441 40 0 BGABLO C[C@@H]1CCc2[nH+]c(-c3ccccc3)cn2C1 ZINC000135907342 409995150 /nfs/dbraw/zinc/99/51/50/409995150.db2.gz MKYCFFLGOSJGRN-LLVKDONJSA-N 1 2 212.296 3.132 40 0 BGABLO C[C@H]1CCc2[nH+]c(-c3ccccc3)cn2C1 ZINC000135907377 345464498 /nfs/dbraw/zinc/46/44/98/345464498.db2.gz MKYCFFLGOSJGRN-NSHDSACASA-N 1 2 212.296 3.132 40 0 BGABLO Cc1ccccc1-c1cn2c([nH+]1)CC[C@H](C)C2 ZINC000135909636 409994861 /nfs/dbraw/zinc/99/48/61/409994861.db2.gz FXMKYKIIZAIIEV-NSHDSACASA-N 1 2 226.323 3.441 40 0 BGABLO Cc1ccccc1-c1cn2c([nH+]1)CC[C@@H](C)C2 ZINC000135909658 345464330 /nfs/dbraw/zinc/46/43/30/345464330.db2.gz FXMKYKIIZAIIEV-LLVKDONJSA-N 1 2 226.323 3.441 40 0 BGABLO Cc1cc([NH2+]CC2CCCC2)ccc1O ZINC000148150304 525268117 /nfs/dbraw/zinc/26/81/17/525268117.db2.gz POQMDJFANCABBO-UHFFFAOYSA-N 1 2 205.301 3.303 40 0 BGABLO CCOC(=[NH2+])CCc1ccc(Cl)cc1 ZINC000196759040 398263868 /nfs/dbraw/zinc/26/38/68/398263868.db2.gz DKHVVHJKMNHGLH-UHFFFAOYSA-N 1 2 211.692 3.286 40 0 BGABLO CCC(=O)c1cc(-n2c(C)ccc2C)cc[nH+]1 ZINC000199543763 521238953 /nfs/dbraw/zinc/23/89/53/521238953.db2.gz JMILSUVVNLRJJG-UHFFFAOYSA-N 1 2 228.295 3.082 40 0 BGABLO CCOC(=[NH2+])CCc1ccccc1Cl ZINC000199557602 170180487 /nfs/dbraw/zinc/18/04/87/170180487.db2.gz HGKVUUBUGXUBGS-UHFFFAOYSA-N 1 2 211.692 3.286 40 0 BGABLO Nc1cc2cc(-c3ccccc3)ccc2c[nH+]1 ZINC000199564959 384528628 /nfs/dbraw/zinc/52/86/28/384528628.db2.gz BQGOYWFZUYIGNN-UHFFFAOYSA-N 1 2 220.275 3.484 40 0 BGABLO Cc1cc[nH+]c(Nc2ccc(F)c(F)c2)c1 ZINC000199710436 179462485 /nfs/dbraw/zinc/46/24/85/179462485.db2.gz VUOCGYVZDUWKKW-UHFFFAOYSA-N 1 2 220.222 3.412 40 0 BGABLO Cc1cc[nH+]c(Nc2cc(F)cc(F)c2)c1 ZINC000199710676 411208155 /nfs/dbraw/zinc/20/81/55/411208155.db2.gz FXZRJNCRFMLKGI-UHFFFAOYSA-N 1 2 220.222 3.412 40 0 BGABLO COc1cc(Nc2cc(C)cc[nH+]2)cc(OC)c1 ZINC000199710768 411208075 /nfs/dbraw/zinc/20/80/75/411208075.db2.gz KOZLOQFCBBJHNO-UHFFFAOYSA-N 1 2 244.294 3.151 40 0 BGABLO COc1c(F)cccc1Nc1cc(C)cc[nH+]1 ZINC000199713694 388654658 /nfs/dbraw/zinc/65/46/58/388654658.db2.gz ASMWWSDUMWVWNB-UHFFFAOYSA-N 1 2 232.258 3.281 40 0 BGABLO Cc1cc[nH+]c(Nc2cccc(F)c2)c1 ZINC000199714022 388654653 /nfs/dbraw/zinc/65/46/53/388654653.db2.gz XMECVBNKZBRMJQ-UHFFFAOYSA-N 1 2 202.232 3.273 40 0 BGABLO COc1cccc(Nc2cc(C)cc[nH+]2)c1 ZINC000199714526 175280589 /nfs/dbraw/zinc/28/05/89/175280589.db2.gz APTWEHVXFMMHTK-UHFFFAOYSA-N 1 2 214.268 3.142 40 0 BGABLO CC(=O)c1cccc(Nc2cc(C)cc[nH+]2)c1 ZINC000199735579 388654750 /nfs/dbraw/zinc/65/47/50/388654750.db2.gz SQMNVEZJOPGHQX-UHFFFAOYSA-N 1 2 226.279 3.336 40 0 BGABLO CC(=O)c1ccc(Nc2cc(C)cc[nH+]2)cc1 ZINC000199735623 188007530 /nfs/dbraw/zinc/00/75/30/188007530.db2.gz MACRWTXJCQIOFY-UHFFFAOYSA-N 1 2 226.279 3.336 40 0 BGABLO C[NH2+]c1ccc2c(c1)C(C)=CC(C)(C)N2 ZINC000199825751 388654872 /nfs/dbraw/zinc/65/48/72/388654872.db2.gz XYYKLQROQQIXSQ-UHFFFAOYSA-N 1 2 202.301 3.336 40 0 BGABLO Fc1ccccc1-c1cn2c([nH+]1)CCCC2 ZINC000215527184 343792704 /nfs/dbraw/zinc/79/27/04/343792704.db2.gz FAXPBAWQVFPFKG-UHFFFAOYSA-N 1 2 216.259 3.026 40 0 BGABLO COc1cc(N)ccc1[N@@H+](C)C1CCCCC1 ZINC000216772534 386800809 /nfs/dbraw/zinc/80/08/09/386800809.db2.gz CNISCPCOFZLQFE-UHFFFAOYSA-N 1 2 234.343 3.046 40 0 BGABLO COc1cc(N)ccc1[N@H+](C)C1CCCCC1 ZINC000216772534 386800806 /nfs/dbraw/zinc/80/08/06/386800806.db2.gz CNISCPCOFZLQFE-UHFFFAOYSA-N 1 2 234.343 3.046 40 0 BGABLO Nc1ccc2[nH+]cn(C3CCCCC3)c2c1 ZINC000223767160 386100028 /nfs/dbraw/zinc/10/00/28/386100028.db2.gz XGZNJDMBEHFICN-UHFFFAOYSA-N 1 2 215.300 3.124 40 0 BGABLO Cc1cc2[nH+]cn(C3CCCC3)c2cc1N ZINC000223769154 178305747 /nfs/dbraw/zinc/30/57/47/178305747.db2.gz BQRNNSRCYNBBGE-UHFFFAOYSA-N 1 2 215.300 3.042 40 0 BGABLO Cc1cc2[nH+]cn(C3CCCCC3)c2cc1N ZINC000223769235 178305862 /nfs/dbraw/zinc/30/58/62/178305862.db2.gz QYOJPOQUHBBPIS-UHFFFAOYSA-N 1 2 229.327 3.432 40 0 BGABLO Cc1cc([NH2+]Cc2ccccc2)cc(C)c1N ZINC000223773135 178172985 /nfs/dbraw/zinc/17/29/85/178172985.db2.gz WGJNZFCTBNKWLZ-UHFFFAOYSA-N 1 2 226.323 3.498 40 0 BGABLO Cc1cc(C)c(N)c([N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000223777525 386100165 /nfs/dbraw/zinc/10/01/65/386100165.db2.gz DHTPMAAYSRPPKB-TXEJJXNPSA-N 1 2 232.371 3.368 40 0 BGABLO Cc1cc(C)c(N)c([N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000223777525 386100159 /nfs/dbraw/zinc/10/01/59/386100159.db2.gz DHTPMAAYSRPPKB-TXEJJXNPSA-N 1 2 232.371 3.368 40 0 BGABLO Cc1cc(C)c(N)c([NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000223777577 386099640 /nfs/dbraw/zinc/09/96/40/386099640.db2.gz DHTPMAAYSRPPKB-VXGBXAGGSA-N 1 2 232.371 3.368 40 0 BGABLO Cc1cc(C)c(N)c([NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000223777618 386100946 /nfs/dbraw/zinc/10/09/46/386100946.db2.gz DHTPMAAYSRPPKB-RYUDHWBXSA-N 1 2 232.371 3.368 40 0 BGABLO Cc1cc(C)c(N)c([NH+]2CCCCCC2)c1 ZINC000223777755 386099847 /nfs/dbraw/zinc/09/98/47/386099847.db2.gz OHUOALZYSOLABA-UHFFFAOYSA-N 1 2 218.344 3.266 40 0 BGABLO Cc1cc(NCc2ccccc2)c(C)cc1[NH3+] ZINC000223779992 178172465 /nfs/dbraw/zinc/17/24/65/178172465.db2.gz HLKWGLZTRSAKQZ-UHFFFAOYSA-N 1 2 226.323 3.498 40 0 BGABLO S=C(Nc1cc[nH+]cc1)NC1CCCCCC1 ZINC000224041240 183312315 /nfs/dbraw/zinc/31/23/15/183312315.db2.gz QCDAWGPBSNEXDP-UHFFFAOYSA-N 1 2 249.383 3.091 40 0 BGABLO Cc1ccc2n1-c1ccccc1C[NH+]=C2C ZINC000225374332 188357584 /nfs/dbraw/zinc/35/75/84/188357584.db2.gz FEIUXCPEZYOODJ-UHFFFAOYSA-N 1 2 210.280 3.108 40 0 BGABLO CCC1(NC(=S)Nc2cc[nH+]cc2)CCCC1 ZINC000225874504 386224444 /nfs/dbraw/zinc/22/44/44/386224444.db2.gz MHOUVZHBDYMCJI-UHFFFAOYSA-N 1 2 249.383 3.091 40 0 BGABLO CC1(NC(=S)Nc2cc[nH+]cc2)CCCCC1 ZINC000225874723 168063320 /nfs/dbraw/zinc/06/33/20/168063320.db2.gz LOCQJLBHCLPVKC-UHFFFAOYSA-N 1 2 249.383 3.091 40 0 BGABLO Cc1cc(N)c([N@H+]2CCC[C@@H](C)C2)cc1C ZINC000226218567 350408842 /nfs/dbraw/zinc/40/88/42/350408842.db2.gz HSVOPSAQZUKGBK-SNVBAGLBSA-N 1 2 218.344 3.122 40 0 BGABLO Cc1cc(N)c([N@@H+]2CCC[C@@H](C)C2)cc1C ZINC000226218567 350408837 /nfs/dbraw/zinc/40/88/37/350408837.db2.gz HSVOPSAQZUKGBK-SNVBAGLBSA-N 1 2 218.344 3.122 40 0 BGABLO Cc1cc(N)c([N@H+]2CCC[C@H](C)C2)cc1C ZINC000226218580 350408560 /nfs/dbraw/zinc/40/85/60/350408560.db2.gz HSVOPSAQZUKGBK-JTQLQIEISA-N 1 2 218.344 3.122 40 0 BGABLO Cc1cc(N)c([N@@H+]2CCC[C@H](C)C2)cc1C ZINC000226218580 350408558 /nfs/dbraw/zinc/40/85/58/350408558.db2.gz HSVOPSAQZUKGBK-JTQLQIEISA-N 1 2 218.344 3.122 40 0 BGABLO Cc1cc(N)c([N@H+]2C[C@H](C)C[C@H](C)C2)cc1C ZINC000226218597 350408609 /nfs/dbraw/zinc/40/86/09/350408609.db2.gz OWPMJYPKIRZOEV-PHIMTYICSA-N 1 2 232.371 3.368 40 0 BGABLO Cc1cc(N)c([N@@H+]2C[C@H](C)C[C@H](C)C2)cc1C ZINC000226218597 350408605 /nfs/dbraw/zinc/40/86/05/350408605.db2.gz OWPMJYPKIRZOEV-PHIMTYICSA-N 1 2 232.371 3.368 40 0 BGABLO Cc1cc(N)c([NH+]2C[C@H](C)C[C@@H](C)C2)cc1C ZINC000226218606 350408749 /nfs/dbraw/zinc/40/87/49/350408749.db2.gz OWPMJYPKIRZOEV-GHMZBOCLSA-N 1 2 232.371 3.368 40 0 BGABLO Cc1cc(N)c([NH+]2C[C@@H](C)C[C@H](C)C2)cc1C ZINC000226218617 350409240 /nfs/dbraw/zinc/40/92/40/350409240.db2.gz OWPMJYPKIRZOEV-QWRGUYRKSA-N 1 2 232.371 3.368 40 0 BGABLO Cc1cccn2cc(-c3ccsc3)[nH+]c12 ZINC000228018829 343793828 /nfs/dbraw/zinc/79/38/28/343793828.db2.gz RLUUPHMLEOYBAF-UHFFFAOYSA-N 1 2 214.293 3.371 40 0 BGABLO COc1ccc(Nc2cc(C)cc[nH+]2)c(OC)c1 ZINC000228955292 524713176 /nfs/dbraw/zinc/71/31/76/524713176.db2.gz YMZFAIHCTFGXQB-UHFFFAOYSA-N 1 2 244.294 3.151 40 0 BGABLO COc1ccc(OC)c(Nc2cc(C)cc[nH+]2)c1 ZINC000228955484 524870055 /nfs/dbraw/zinc/87/00/55/524870055.db2.gz JLVQECNSBSGWSE-UHFFFAOYSA-N 1 2 244.294 3.151 40 0 BGABLO Cc1cc[nH+]c(Nc2ccc(F)cc2F)c1 ZINC000228956609 525704114 /nfs/dbraw/zinc/70/41/14/525704114.db2.gz LVXGCHSDRCGJGN-UHFFFAOYSA-N 1 2 220.222 3.412 40 0 BGABLO COc1ccc(C)cc1Nc1cc(C)cc[nH+]1 ZINC000228957349 523846312 /nfs/dbraw/zinc/84/63/12/523846312.db2.gz XKVBBCPIRMBDSP-UHFFFAOYSA-N 1 2 228.295 3.451 40 0 BGABLO Cc1cc[nH+]c(Nc2ccccc2F)c1 ZINC000228965917 525704105 /nfs/dbraw/zinc/70/41/05/525704105.db2.gz IKQIMVZWOKQTAJ-UHFFFAOYSA-N 1 2 202.232 3.273 40 0 BGABLO COc1ccccc1Nc1cc(C)cc[nH+]1 ZINC000228967624 524648512 /nfs/dbraw/zinc/64/85/12/524648512.db2.gz KAQKSYKFFRLUGX-UHFFFAOYSA-N 1 2 214.268 3.142 40 0 BGABLO Cc1[nH]c2cc(C)c(C(F)(F)F)cc2[nH+]1 ZINC000238516712 180078231 /nfs/dbraw/zinc/07/82/31/180078231.db2.gz ZDIVCXJGLTYPKM-UHFFFAOYSA-N 1 2 214.190 3.199 40 0 BGABLO Cc1[nH]c2cc(C(F)(F)F)c(C)cc2[nH+]1 ZINC000238516712 180078228 /nfs/dbraw/zinc/07/82/28/180078228.db2.gz ZDIVCXJGLTYPKM-UHFFFAOYSA-N 1 2 214.190 3.199 40 0 BGABLO c1ccc(NCC2CC3(CCC3)C2)[nH+]c1 ZINC000242688374 372275523 /nfs/dbraw/zinc/27/55/23/372275523.db2.gz VOSKYHIWRWOTDH-UHFFFAOYSA-N 1 2 202.301 3.074 40 0 BGABLO Cc1c[nH]c([C@H]2CCC[N@H+]2Cc2ccsc2)n1 ZINC000257343282 385767872 /nfs/dbraw/zinc/76/78/72/385767872.db2.gz ZSGOQEBSFMVNNE-GFCCVEGCSA-N 1 2 247.367 3.117 40 0 BGABLO Cc1c[nH]c([C@H]2CCC[N@@H+]2Cc2ccsc2)n1 ZINC000257343282 385767866 /nfs/dbraw/zinc/76/78/66/385767866.db2.gz ZSGOQEBSFMVNNE-GFCCVEGCSA-N 1 2 247.367 3.117 40 0 BGABLO Cc1c[nH]c([C@@H]2CCC[N@H+]2Cc2ccsc2)n1 ZINC000257343283 385766564 /nfs/dbraw/zinc/76/65/64/385766564.db2.gz ZSGOQEBSFMVNNE-LBPRGKRZSA-N 1 2 247.367 3.117 40 0 BGABLO Cc1c[nH]c([C@@H]2CCC[N@@H+]2Cc2ccsc2)n1 ZINC000257343283 385766558 /nfs/dbraw/zinc/76/65/58/385766558.db2.gz ZSGOQEBSFMVNNE-LBPRGKRZSA-N 1 2 247.367 3.117 40 0 BGABLO C[C@H]1CCc2[nH+]c(-c3cccc(F)c3)cn2C1 ZINC000258055936 345779885 /nfs/dbraw/zinc/77/98/85/345779885.db2.gz ANYDYGBNBMINMV-JTQLQIEISA-N 1 2 230.286 3.272 40 0 BGABLO C[C@@H]1CCc2[nH+]c(-c3cccc(F)c3)cn2C1 ZINC000258055937 345779742 /nfs/dbraw/zinc/77/97/42/345779742.db2.gz ANYDYGBNBMINMV-SNVBAGLBSA-N 1 2 230.286 3.272 40 0 BGABLO CCN(CC)c1cc(C)c2cccc(O)c2[nH+]1 ZINC000258132974 538776860 /nfs/dbraw/zinc/77/68/60/538776860.db2.gz VUCQDUNYLJBCCB-UHFFFAOYSA-N 1 2 230.311 3.095 40 0 BGABLO Fc1cccc(-c2cn3c([nH+]2)CCCC3)c1 ZINC000258204393 345780983 /nfs/dbraw/zinc/78/09/83/345780983.db2.gz FXBUEOVJBOKXFM-UHFFFAOYSA-N 1 2 216.259 3.026 40 0 BGABLO C[C@H]1CCn2cc(-c3cccc(F)c3)[nH+]c2C1 ZINC000258209813 345780515 /nfs/dbraw/zinc/78/05/15/345780515.db2.gz GCKOYZFSJOPBSA-JTQLQIEISA-N 1 2 230.286 3.272 40 0 BGABLO C[C@@H]1CCn2cc(-c3cccc(F)c3)[nH+]c2C1 ZINC000258209815 345780854 /nfs/dbraw/zinc/78/08/54/345780854.db2.gz GCKOYZFSJOPBSA-SNVBAGLBSA-N 1 2 230.286 3.272 40 0 BGABLO C[C@@H]1CCn2cc(-c3cccs3)[nH+]c2C1 ZINC000258241469 345781775 /nfs/dbraw/zinc/78/17/75/345781775.db2.gz HGBWGDXRXGANBO-SECBINFHSA-N 1 2 218.325 3.194 40 0 BGABLO C[C@H]1CCn2cc(-c3cccs3)[nH+]c2C1 ZINC000258241470 345782200 /nfs/dbraw/zinc/78/22/00/345782200.db2.gz HGBWGDXRXGANBO-VIFPVBQESA-N 1 2 218.325 3.194 40 0 BGABLO Cc1cc(N2CCCCC2)[nH+]c2c(N)cccc12 ZINC000258244893 538778798 /nfs/dbraw/zinc/77/87/98/538778798.db2.gz MBRAIFWJLZXZIV-UHFFFAOYSA-N 1 2 241.338 3.116 40 0 BGABLO C[C@H]1CCn2cc(-c3ccccc3F)[nH+]c2C1 ZINC000258410345 345783780 /nfs/dbraw/zinc/78/37/80/345783780.db2.gz OAJSQOUVCBHHFK-JTQLQIEISA-N 1 2 230.286 3.272 40 0 BGABLO C[C@@H]1CCn2cc(-c3ccccc3F)[nH+]c2C1 ZINC000258410350 345784032 /nfs/dbraw/zinc/78/40/32/345784032.db2.gz OAJSQOUVCBHHFK-SNVBAGLBSA-N 1 2 230.286 3.272 40 0 BGABLO C[C@H]1CCc2[nH+]c(-c3ccccc3F)cn2C1 ZINC000258482448 345784469 /nfs/dbraw/zinc/78/44/69/345784469.db2.gz QOIYBUWPJHDICZ-JTQLQIEISA-N 1 2 230.286 3.272 40 0 BGABLO C[C@@H]1CCc2[nH+]c(-c3ccccc3F)cn2C1 ZINC000258482451 345784704 /nfs/dbraw/zinc/78/47/04/345784704.db2.gz QOIYBUWPJHDICZ-SNVBAGLBSA-N 1 2 230.286 3.272 40 0 BGABLO C[C@H]1CCCn2cc(-c3ccccc3N)[nH+]c21 ZINC000258485293 345784340 /nfs/dbraw/zinc/78/43/40/345784340.db2.gz QRQYOQVCPJCRIG-JTQLQIEISA-N 1 2 227.311 3.030 40 0 BGABLO C[C@@H]1CCCn2cc(-c3ccccc3N)[nH+]c21 ZINC000258485295 345784554 /nfs/dbraw/zinc/78/45/54/345784554.db2.gz QRQYOQVCPJCRIG-SNVBAGLBSA-N 1 2 227.311 3.030 40 0 BGABLO C[C@H]1CCc2[nH+]c(-c3ccc(F)cc3)cn2C1 ZINC000258545875 345784648 /nfs/dbraw/zinc/78/46/48/345784648.db2.gz SUUWPOZPRCRGGO-JTQLQIEISA-N 1 2 230.286 3.272 40 0 BGABLO C[C@@H]1CCc2[nH+]c(-c3ccc(F)cc3)cn2C1 ZINC000258545877 345784416 /nfs/dbraw/zinc/78/44/16/345784416.db2.gz SUUWPOZPRCRGGO-SNVBAGLBSA-N 1 2 230.286 3.272 40 0 BGABLO C[C@@H]1CCc2[nH+]c(-c3cccs3)cn2C1 ZINC000258552134 345784383 /nfs/dbraw/zinc/78/43/83/345784383.db2.gz TULXEAHHAMIARH-SECBINFHSA-N 1 2 218.325 3.194 40 0 BGABLO C[C@H]1CCc2[nH+]c(-c3cccs3)cn2C1 ZINC000258552137 345784688 /nfs/dbraw/zinc/78/46/88/345784688.db2.gz TULXEAHHAMIARH-VIFPVBQESA-N 1 2 218.325 3.194 40 0 BGABLO C[C@H]1CCCc2[nH+]c(-c3ccccc3N)cn21 ZINC000258557896 345784386 /nfs/dbraw/zinc/78/43/86/345784386.db2.gz TYLIZDPHGJBQEA-JTQLQIEISA-N 1 2 227.311 3.030 40 0 BGABLO C[C@@H]1CCCc2[nH+]c(-c3ccccc3N)cn21 ZINC000258557902 345784282 /nfs/dbraw/zinc/78/42/82/345784282.db2.gz TYLIZDPHGJBQEA-SNVBAGLBSA-N 1 2 227.311 3.030 40 0 BGABLO C[C@H]1CCn2cc(-c3ccc(F)cc3)[nH+]c2C1 ZINC000258757869 345786201 /nfs/dbraw/zinc/78/62/01/345786201.db2.gz ZUHNNWDBAJPTRE-JTQLQIEISA-N 1 2 230.286 3.272 40 0 BGABLO C[C@@H]1CCn2cc(-c3ccc(F)cc3)[nH+]c2C1 ZINC000258757873 345785991 /nfs/dbraw/zinc/78/59/91/345785991.db2.gz ZUHNNWDBAJPTRE-SNVBAGLBSA-N 1 2 230.286 3.272 40 0 BGABLO CCc1[nH+]c(C)ccc1Oc1ccncc1C#N ZINC000399405810 583173552 /nfs/dbraw/zinc/17/35/52/583173552.db2.gz UEODNUJZVPPWJI-UHFFFAOYSA-N 1 2 239.278 3.011 40 0 BGABLO c1cn2[nH]c(C3CC3)c(-c3ccccc3)c2[nH+]1 ZINC000409437012 343841784 /nfs/dbraw/zinc/84/17/84/343841784.db2.gz BDOJYOJZRWRKMM-UHFFFAOYSA-N 1 2 223.279 3.207 40 0 BGABLO C[C@@H]1CCn2cc(-c3ccsc3)[nH+]c2C1 ZINC000409437366 350481094 /nfs/dbraw/zinc/48/10/94/350481094.db2.gz FTINUKPAKIMPLN-SECBINFHSA-N 1 2 218.325 3.194 40 0 BGABLO C[C@H]1CCn2cc(-c3ccsc3)[nH+]c2C1 ZINC000409437367 343842951 /nfs/dbraw/zinc/84/29/51/343842951.db2.gz FTINUKPAKIMPLN-VIFPVBQESA-N 1 2 218.325 3.194 40 0 BGABLO FC(F)(F)c1ccn2cc(C3CC3)[nH+]c2c1 ZINC000409437604 343842379 /nfs/dbraw/zinc/84/23/79/343842379.db2.gz HPPSRUVVLAHMOD-UHFFFAOYSA-N 1 2 226.201 3.231 40 0 BGABLO FC(F)(F)[C@@H]1CCCn2cc(C3CC3)[nH+]c21 ZINC000409437614 350481079 /nfs/dbraw/zinc/48/10/79/350481079.db2.gz HUCIIRTZYVCPLQ-MRVPVSSYSA-N 1 2 230.233 3.200 40 0 BGABLO FC(F)(F)[C@H]1CCCn2cc(C3CC3)[nH+]c21 ZINC000409437620 343842716 /nfs/dbraw/zinc/84/27/16/343842716.db2.gz HUCIIRTZYVCPLQ-QMMMGPOBSA-N 1 2 230.233 3.200 40 0 BGABLO COC(=[NH2+])CCc1c(C)[nH]nc1-c1ccsc1 ZINC000409439065 343846417 /nfs/dbraw/zinc/84/64/17/343846417.db2.gz GKKNDJWVDFHIJV-UHFFFAOYSA-N 1 2 249.339 3.003 40 0 BGABLO C[C@@H]1CCc2[nH+]c(-c3ccsc3)cn2C1 ZINC000409439694 343848049 /nfs/dbraw/zinc/84/80/49/343848049.db2.gz SZABIOVENWEHNB-SECBINFHSA-N 1 2 218.325 3.194 40 0 BGABLO C[C@H]1CCc2[nH+]c(-c3ccsc3)cn2C1 ZINC000409439695 343848019 /nfs/dbraw/zinc/84/80/19/343848019.db2.gz SZABIOVENWEHNB-VIFPVBQESA-N 1 2 218.325 3.194 40 0 BGABLO FC(F)(F)c1ccc2[nH+]c(C3CC3)cn2c1 ZINC000409439774 343848403 /nfs/dbraw/zinc/84/84/03/343848403.db2.gz UKJNRAJRYORJID-UHFFFAOYSA-N 1 2 226.201 3.231 40 0 BGABLO COC(=[NH2+])CCc1c(C)[nH]nc1-c1cccs1 ZINC000409440704 343853423 /nfs/dbraw/zinc/85/34/23/343853423.db2.gz OBNKDCNEOUVUFH-UHFFFAOYSA-N 1 2 249.339 3.003 40 0 BGABLO COC(=[NH2+])c1cc(-c2cccs2)nn1C(C)C ZINC000409443733 343862968 /nfs/dbraw/zinc/86/29/68/343862968.db2.gz SOTMJDAYDMJSMM-UHFFFAOYSA-N 1 2 249.339 3.164 40 0 BGABLO COC(=[NH2+])c1cc(-c2ccsc2)nn1C(C)C ZINC000409443921 343863361 /nfs/dbraw/zinc/86/33/61/343863361.db2.gz WSBVDRARVFCODR-UHFFFAOYSA-N 1 2 249.339 3.164 40 0 BGABLO Cc1cc(C(C)C)c2cc(N)ccc2[nH+]1 ZINC000575424205 387040389 /nfs/dbraw/zinc/04/03/89/387040389.db2.gz XEYWPSDAIYGLHM-UHFFFAOYSA-N 1 2 200.285 3.249 40 0 BGABLO Nc1ccc(-c2ccc(C(F)F)s2)c[nH+]1 ZINC000575629278 387827355 /nfs/dbraw/zinc/82/73/55/387827355.db2.gz OMUILIQEMJIWPZ-UHFFFAOYSA-N 1 2 226.251 3.160 40 0 BGABLO Nc1ccc2[nH+]ccc(OC3CCCC3)c2c1 ZINC000685937697 538763661 /nfs/dbraw/zinc/76/36/61/538763661.db2.gz PCXWMHRNELKUHD-UHFFFAOYSA-N 1 2 228.295 3.138 40 0 BGABLO CC(C)c1cc(N(C)C)[nH+]c2c(N)cccc12 ZINC000685937912 538761944 /nfs/dbraw/zinc/76/19/44/538761944.db2.gz AMXCRPCBWQHJMI-UHFFFAOYSA-N 1 2 229.327 3.006 40 0 BGABLO CC(C)c1cc(N(C)C)[nH+]c2c(O)cccc12 ZINC000685938492 538765462 /nfs/dbraw/zinc/76/54/62/538765462.db2.gz VLVSSLJJIMKBMY-UHFFFAOYSA-N 1 2 230.311 3.130 40 0 BGABLO