smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1cc(-c2ccccc2)oc2cccc(O)c12 ZINC000000057676 342672086 /nfs/dbraw/zinc/67/20/86/342672086.db2.gz IYBLVRRCNVHZQJ-UHFFFAOYSA-N 0 2 238.242 3.166 50 0 biogenic,in-vivo BGAALN CSC(=S)Nc1ccc(F)cc1F ZINC000000091042 383824215 /nfs/dbraw/zinc/82/42/15/383824215.db2.gz NZPGCSVBJUFVEI-UHFFFAOYSA-N 0 2 219.281 3.025 50 0 BGAALN CSC(=S)Nc1ccc(Cl)cc1 ZINC000000091044 383824255 /nfs/dbraw/zinc/82/42/55/383824255.db2.gz KKVFZIARMREJRL-UHFFFAOYSA-N 0 2 217.746 3.400 50 0 BGAALN O=C(c1ccccc1)c1cc(Cl)ccc1O ZINC000000136128 342676486 /nfs/dbraw/zinc/67/64/86/342676486.db2.gz OMWSZDODENFLSV-UHFFFAOYSA-N 0 2 232.666 3.277 50 0 BGAALN COC(=S)Nc1ccc(C(C)C)cc1 ZINC000000138352 342676825 /nfs/dbraw/zinc/67/68/25/342676825.db2.gz ZDFJKZJSCNRRFU-UHFFFAOYSA-N 0 2 209.314 3.153 50 0 BGAALN COC(=S)Nc1cc(Cl)cc(Cl)c1 ZINC000000172818 342679321 /nfs/dbraw/zinc/67/93/21/342679321.db2.gz JJNYLPZFIRIGGB-UHFFFAOYSA-N 0 2 236.123 3.337 50 0 BGAALN S=c1[nH]nc(Cc2cccc3ccccc32)o1 ZINC000000233941 383845874 /nfs/dbraw/zinc/84/58/74/383845874.db2.gz YLRFXLNGPBLJIH-UHFFFAOYSA-N 0 2 242.303 3.102 50 0 BGAALN S=C1N=NC(Cc2cccc3ccccc32)O1 ZINC000000233941 383845873 /nfs/dbraw/zinc/84/58/73/383845873.db2.gz YLRFXLNGPBLJIH-UHFFFAOYSA-N 0 2 242.303 3.102 50 0 BGAALN Cc1ccc(C(O)=CC(=O)c2ccccc2)cc1 ZINC000000275248 187583039 /nfs/dbraw/zinc/58/30/39/187583039.db2.gz NWJSOXKGXZRQNV-UHFFFAOYSA-N 0 2 238.286 3.451 50 0 BGAALN Cc1c(Cl)c(=O)oc2cc(O)c(Cl)cc12 ZINC000000349486 383856736 /nfs/dbraw/zinc/85/67/36/383856736.db2.gz WQILGAJTSFVYMF-UHFFFAOYSA-N 0 2 245.061 3.114 50 0 BGAALN O=C(Nc1cc(Cl)c(O)c(Cl)c1)C1CC1 ZINC000000367794 182347540 /nfs/dbraw/zinc/34/75/40/182347540.db2.gz PVXIYXNULUTGEQ-UHFFFAOYSA-N 0 2 246.093 3.048 50 0 BGAALN O=C(c1ccccc1)c1ccc(O)c(Cl)c1 ZINC000000389950 342788315 /nfs/dbraw/zinc/78/83/15/342788315.db2.gz FUUHDAKJQKNBEF-UHFFFAOYSA-N 0 2 232.666 3.277 50 0 BGAALN Oc1csc2c1c(Cl)ccc2Cl ZINC000000398643 342686562 /nfs/dbraw/zinc/68/65/62/342686562.db2.gz RXBGQMAHSXLVLU-UHFFFAOYSA-N 0 2 219.092 3.282 50 0 BGAALN CCCc1cc(=O)oc2cc(O)c(Cl)cc12 ZINC000000434975 397915258 /nfs/dbraw/zinc/91/52/58/397915258.db2.gz IWVJNZCCZUEDEM-UHFFFAOYSA-N 0 2 238.670 3.105 50 0 BGAALN CC(C)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000001006410 346433171 /nfs/dbraw/zinc/43/31/71/346433171.db2.gz AEFGZQAKWONFNO-UHFFFAOYSA-N 0 2 248.109 3.294 50 0 BGAALN CC(C)OC(=S)Nc1cccc(Cl)c1 ZINC000001043251 167175038 /nfs/dbraw/zinc/17/50/38/167175038.db2.gz XWJMDNULPYVWGV-UHFFFAOYSA-N 0 2 229.732 3.462 50 0 BGAALN Cc1ccnc(Nc2nc3ccccc3s2)n1 ZINC000001312115 383893816 /nfs/dbraw/zinc/89/38/16/383893816.db2.gz YEKJCCQGZBAANY-UHFFFAOYSA-N 0 2 242.307 3.138 50 0 BGAALN CC(=O)C(=C(O)c1ccc(Cl)cc1)C(C)C ZINC000001403841 188335055 /nfs/dbraw/zinc/33/50/55/188335055.db2.gz CQRPNUKUZNHGRV-LBPRGKRZSA-N 0 2 238.714 3.384 50 0 BGAALN CC(=O)C(=C(O)c1ccc(Cl)cc1)C(C)C ZINC000001403842 353386859 /nfs/dbraw/zinc/38/68/59/353386859.db2.gz CQRPNUKUZNHGRV-GFCCVEGCSA-N 0 2 238.714 3.384 50 0 BGAALN Oc1c(Cl)cc(Br)cc1Cl ZINC000001621105 383913299 /nfs/dbraw/zinc/91/32/99/383913299.db2.gz KGURSDWHGSLAPP-UHFFFAOYSA-N 0 2 241.899 3.462 50 0 BGAALN Oc1c(Cl)cc(Cl)cc1Br ZINC000001657278 383917220 /nfs/dbraw/zinc/91/72/20/383917220.db2.gz FRPHJINKMDMSPH-UHFFFAOYSA-N 0 2 241.899 3.462 50 0 BGAALN O=C(c1ccccc1)c1ccc(Cl)cc1O ZINC000002002759 342714268 /nfs/dbraw/zinc/71/42/68/342714268.db2.gz JYFJHKRWGLEWKH-UHFFFAOYSA-N 0 2 232.666 3.277 50 0 BGAALN Oc1c(Cl)ccc(Cl)c1Br ZINC000002521511 342722312 /nfs/dbraw/zinc/72/23/12/342722312.db2.gz DBAONWMSNZNTMN-UHFFFAOYSA-N 0 2 241.899 3.462 50 0 BGAALN Oc1c(Cl)cc(Cl)cc1-c1cc[nH]n1 ZINC000002574005 342724973 /nfs/dbraw/zinc/72/49/73/342724973.db2.gz MZRAYBSAMAGCRX-UHFFFAOYSA-N 0 2 229.066 3.089 50 0 BGAALN O=C1CCCCC1=C(O)c1ccc(Cl)cc1 ZINC000002579290 368369313 /nfs/dbraw/zinc/36/93/13/368369313.db2.gz MNCFWYXCYZTXJU-NSHDSACASA-N 0 2 236.698 3.282 50 0 BGAALN c1csc(Nc2nc3ccccc3s2)n1 ZINC000003138909 388365680 /nfs/dbraw/zinc/36/56/80/388365680.db2.gz FDWWUXMHPKDNOT-UHFFFAOYSA-N 0 2 233.321 3.496 50 0 BGAALN CCOC(=S)Nc1cccc(C(F)(F)F)c1 ZINC000003187616 170311979 /nfs/dbraw/zinc/31/19/79/170311979.db2.gz SOYPMQLEJWZWBT-UHFFFAOYSA-N 0 2 249.257 3.439 50 0 BGAALN Cc1cc(C)c2c(c1)[nH+]c(C1CC1)cc2C(=O)[O-] ZINC000003756924 384025848 /nfs/dbraw/zinc/02/58/48/384025848.db2.gz IYYGTQJREKNORA-UHFFFAOYSA-N 0 2 241.290 3.427 50 0 BGAALN O=Nc1ccc2c(O)ccc(N=O)c2c1O ZINC000003845651 384873382 /nfs/dbraw/zinc/87/33/82/384873382.db2.gz DABKXPDBJSTVCM-UHFFFAOYSA-N 0 2 218.168 3.047 50 0 BGAALN O=C([O-])CCCCCc1[nH+]ccc2ccccc21 ZINC000004000258 398327532 /nfs/dbraw/zinc/32/75/32/398327532.db2.gz AQTYVBSCVZBJPM-UHFFFAOYSA-N 0 2 243.306 3.422 50 0 BGAALN O=C(C=C(O)c1ccccc1)c1ccccc1 ZINC000004530702 384067811 /nfs/dbraw/zinc/06/78/11/384067811.db2.gz NZZIMKJIVMHWJC-UHFFFAOYSA-N 0 2 224.259 3.142 50 0 aggregator,in-vitro BGAALN O=C([O-])c1ccc2c(c1)[nH+]cn2C1CCCCC1 ZINC000004638824 342749875 /nfs/dbraw/zinc/74/98/75/342749875.db2.gz VDTQDVBTYFQIPB-UHFFFAOYSA-N 0 2 244.294 3.240 50 0 BGAALN CCc1c(C)c2cc(Cl)c(O)cc2oc1=O ZINC000004749035 342751421 /nfs/dbraw/zinc/75/14/21/342751421.db2.gz UWJXDYHWZOIMHA-UHFFFAOYSA-N 0 2 238.670 3.023 50 0 BGAALN CN(C(=O)c1ccccc1S)c1ccccc1 ZINC000004919600 172342935 /nfs/dbraw/zinc/34/29/35/172342935.db2.gz IXJTZQKWVLTXPZ-UHFFFAOYSA-N 0 2 243.331 3.252 50 0 BGAALN S=c1[nH]nc(C23CC4CC(CC(C4)C2)C3)o1 ZINC000005480520 183315024 /nfs/dbraw/zinc/31/50/24/183315024.db2.gz QLRSPGHQEPSBOC-UHFFFAOYSA-N 0 2 236.340 3.200 50 0 BGAALN CCOC(=O)c1sc(=S)sc1S ZINC000005598515 170310350 /nfs/dbraw/zinc/31/03/50/170310350.db2.gz VXCYDSPJGRADOV-UHFFFAOYSA-N 0 2 238.380 3.004 50 0 BGAALN O=c1cc(-c2ccccc2)oc2cc(O)ccc12 ZINC000005934541 342771909 /nfs/dbraw/zinc/77/19/09/342771909.db2.gz MQGPSCMMNJKMHQ-UHFFFAOYSA-N 0 2 238.242 3.166 50 0 biogenic,in-vivo BGAALN CCCc1[nH+]c2ccccc2n1[C@@H](CC)C(=O)[O-] ZINC000006294313 342775776 /nfs/dbraw/zinc/77/57/76/342775776.db2.gz QDBNBNZBMVJKRE-NSHDSACASA-N 0 2 246.310 3.025 50 0 BGAALN CCCc1[nH+]c2ccccc2n1[C@H](CC)C(=O)[O-] ZINC000006294314 342776125 /nfs/dbraw/zinc/77/61/25/342776125.db2.gz QDBNBNZBMVJKRE-LLVKDONJSA-N 0 2 246.310 3.025 50 0 BGAALN COc1ccc(Cl)cc1-c1n[nH]c(=S)o1 ZINC000006492170 175119395 /nfs/dbraw/zinc/11/93/95/175119395.db2.gz FOBNNSSNVSMNMG-UHFFFAOYSA-N 0 2 242.687 3.061 50 0 BGAALN CCCCc1[nH+]c2ccccc2n1[C@@H](C)C(=O)[O-] ZINC000006721110 169027133 /nfs/dbraw/zinc/02/71/33/169027133.db2.gz LOBBYRADWOPOQD-JTQLQIEISA-N 0 2 246.310 3.025 50 0 BGAALN CCCCc1[nH+]c2ccccc2n1[C@H](C)C(=O)[O-] ZINC000006721111 169027057 /nfs/dbraw/zinc/02/70/57/169027057.db2.gz LOBBYRADWOPOQD-SNVBAGLBSA-N 0 2 246.310 3.025 50 0 BGAALN CC(C)c1[nH+]c2ccccc2n1CCCC(=O)[O-] ZINC000007467039 342791477 /nfs/dbraw/zinc/79/14/77/342791477.db2.gz HOROAWFPYVLWPM-UHFFFAOYSA-N 0 2 246.310 3.025 50 0 BGAALN CC(C)COC(=S)Nc1ccccc1 ZINC000008828801 167023371 /nfs/dbraw/zinc/02/33/71/167023371.db2.gz ZWNZTWZQIHCOAM-UHFFFAOYSA-N 0 2 209.314 3.056 50 0 BGAALN CN(Cc1ccsc1)C(=O)c1cccc(F)c1 ZINC000012977133 172908782 /nfs/dbraw/zinc/90/87/82/172908782.db2.gz XYTQKKSEAQMVFE-UHFFFAOYSA-N 0 2 249.310 3.159 50 0 BGAALN O=c1c2ccc(O)cc2occ1-c1ccccc1 ZINC000013518422 342867251 /nfs/dbraw/zinc/86/72/51/342867251.db2.gz WMKOZARWBMFKAS-UHFFFAOYSA-N 0 2 238.242 3.166 50 0 biogenic,in-vitro BGAALN COC(=S)Nc1cccc(C(F)(F)F)c1 ZINC000013656711 346963023 /nfs/dbraw/zinc/96/30/23/346963023.db2.gz XDHFCEASWLXGMM-UHFFFAOYSA-N 0 2 235.230 3.049 50 0 BGAALN CCCCCc1coc2cc(O)ccc2c1=O ZINC000018285282 385121467 /nfs/dbraw/zinc/12/14/67/385121467.db2.gz HBIZJAYRFPIXHQ-UHFFFAOYSA-N 0 2 232.279 3.231 50 0 BGAALN CC[C@H](c1n[nH]c(=S)o1)c1ccccc1 ZINC000020584087 170955758 /nfs/dbraw/zinc/95/57/58/170955758.db2.gz NIZKCYBQPQHNBA-VIFPVBQESA-N 0 2 220.297 3.274 50 0 BGAALN CC[C@@H](c1n[nH]c(=S)o1)c1ccccc1 ZINC000020584089 342991659 /nfs/dbraw/zinc/99/16/59/342991659.db2.gz NIZKCYBQPQHNBA-SECBINFHSA-N 0 2 220.297 3.274 50 0 BGAALN Cc1cc(C)c(-c2n[nH]c(=S)o2)c(C)c1 ZINC000020584111 384623756 /nfs/dbraw/zinc/62/37/56/384623756.db2.gz XBPSHAKHRMRFHC-UHFFFAOYSA-N 0 2 220.297 3.324 50 0 BGAALN CCCC(=O)C=C(O)c1ccccc1Cl ZINC000034546545 582496246 /nfs/dbraw/zinc/49/62/46/582496246.db2.gz VKGDZHNCDRGWPE-UHFFFAOYSA-N 0 2 224.687 3.282 50 0 BGAALN S=c1[nH]nc(CCC2CCCCC2)o1 ZINC000034964288 183314532 /nfs/dbraw/zinc/31/45/32/183314532.db2.gz MAPBWVZZMBNBFL-UHFFFAOYSA-N 0 2 212.318 3.245 50 0 BGAALN Cc1[nH+]c2cc(C(=O)[O-])ccc2n1C1CCCC1 ZINC000037309724 180076633 /nfs/dbraw/zinc/07/66/33/180076633.db2.gz LPGAZCJFLBYFMV-UHFFFAOYSA-N 0 2 244.294 3.158 50 0 BGAALN CCC[C@@H](C)c1[nH]c2ccc(C(=O)[O-])cc2[nH+]1 ZINC000037400821 169375310 /nfs/dbraw/zinc/37/53/10/169375310.db2.gz VHTNAEYFGXHODS-MRVPVSSYSA-N 0 2 232.283 3.165 50 0 BGAALN CCC[C@H](C)c1[nH]c2ccc(C(=O)[O-])cc2[nH+]1 ZINC000037400823 383974673 /nfs/dbraw/zinc/97/46/73/383974673.db2.gz VHTNAEYFGXHODS-QMMMGPOBSA-N 0 2 232.283 3.165 50 0 BGAALN O=C1CCCCC1=C(O)c1ccc(Cl)cc1 ZINC000038885919 368376398 /nfs/dbraw/zinc/37/63/98/368376398.db2.gz MNCFWYXCYZTXJU-LLVKDONJSA-N 0 2 236.698 3.282 50 0 BGAALN O=c1c2ccc(O)cc2occ1C1CCCC1 ZINC000039191753 372900738 /nfs/dbraw/zinc/90/07/38/372900738.db2.gz MNVPXXPOLAQZCO-UHFFFAOYSA-N 0 2 230.263 3.156 50 0 BGAALN CC(C)(C)C(=O)c1ccc(O)c(Cl)c1 ZINC000041226450 166536805 /nfs/dbraw/zinc/53/68/05/166536805.db2.gz NIJLMTGUNHSAFD-UHFFFAOYSA-N 0 2 212.676 3.274 50 0 BGAALN CCCC(=O)C=C(O)c1ccc(Cl)cc1 ZINC000042413600 582703392 /nfs/dbraw/zinc/70/33/92/582703392.db2.gz VCEMXPSYVCYQRL-UHFFFAOYSA-N 0 2 224.687 3.282 50 0 BGAALN CCCC(=O)C=C(O)c1cccc(Cl)c1 ZINC000042413609 582703255 /nfs/dbraw/zinc/70/32/55/582703255.db2.gz SNXWURSCPBXQKT-UHFFFAOYSA-N 0 2 224.687 3.282 50 0 BGAALN O=C([O-])c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000042415616 343437084 /nfs/dbraw/zinc/43/70/84/343437084.db2.gz WIZXILWAOMTBPM-UHFFFAOYSA-N 0 2 249.653 3.226 50 0 BGAALN CC(C)[C@H](C)[N@@H+](Cc1c[nH+]c[nH]1)Cc1ccco1 ZINC000055245377 191000162 /nfs/dbraw/zinc/00/01/62/191000162.db2.gz MEGNGGJBCRQLLD-LBPRGKRZSA-N 0 2 247.342 3.049 50 0 BGAALN Nc1ccc(-c2ccc(N)c(S)c2)cc1S ZINC000056683669 384918302 /nfs/dbraw/zinc/91/83/02/384918302.db2.gz VIZZYYXBVQTVQS-UHFFFAOYSA-N 0 2 248.376 3.095 50 0 BGAALN Cc1ccc(Br)c(O)c1Cl ZINC000065337295 398083346 /nfs/dbraw/zinc/08/33/46/398083346.db2.gz CRIAEOOHQOVEDR-UHFFFAOYSA-N 0 2 221.481 3.117 50 0 BGAALN CC(C)C(=O)C=C(O)c1ccccc1Cl ZINC000070953035 566272677 /nfs/dbraw/zinc/27/26/77/566272677.db2.gz LZKKKHQDYVTLLY-UHFFFAOYSA-N 0 2 224.687 3.138 50 0 BGAALN CC(C)C(=O)C=C(O)c1cccc(Cl)c1 ZINC000070953039 566272895 /nfs/dbraw/zinc/27/28/95/566272895.db2.gz HNAWAPMXRNHGOE-UHFFFAOYSA-N 0 2 224.687 3.138 50 0 BGAALN CC(C)(C)OC(=O)Nc1ccc(S)cc1 ZINC000083255319 166670507 /nfs/dbraw/zinc/67/05/07/166670507.db2.gz YYZNFLXZNSOQHP-UHFFFAOYSA-N 0 2 225.313 3.322 50 0 BGAALN CCCC(=O)c1ccc(O)c(Br)c1 ZINC000088120932 644510369 /nfs/dbraw/zinc/51/03/69/644510369.db2.gz CTHJXQGMOMJGJG-UHFFFAOYSA-N 0 2 243.100 3.138 50 0 BGAALN C[C@@H]1CC(=O)c2c1c(Cl)cc(Cl)c2O ZINC000090225652 176050819 /nfs/dbraw/zinc/05/08/19/176050819.db2.gz XLNWOHSTQMVJCX-SCSAIBSYSA-N 0 2 231.078 3.389 50 0 BGAALN C[C@H]1CC(=O)c2c1c(Cl)cc(Cl)c2O ZINC000090225653 177063191 /nfs/dbraw/zinc/06/31/91/177063191.db2.gz XLNWOHSTQMVJCX-BYPYZUCNSA-N 0 2 231.078 3.389 50 0 BGAALN CC(C)(C)OC(=O)Nc1ccccc1S ZINC000095217956 384368932 /nfs/dbraw/zinc/36/89/32/384368932.db2.gz VYRPKHOYQLUMLP-UHFFFAOYSA-N 0 2 225.313 3.322 50 0 BGAALN CC(C)n1ccc2c1nc(Cl)nc2Cl ZINC000095743277 167766079 /nfs/dbraw/zinc/76/60/79/167766079.db2.gz CSWRJCCGUUJABM-UHFFFAOYSA-N 0 2 230.098 3.319 50 0 BGAALN Cc1ccc(Cl)c(O)c1Br ZINC000096675770 343875271 /nfs/dbraw/zinc/87/52/71/343875271.db2.gz MHFDHSSTNJYBSB-UHFFFAOYSA-N 0 2 221.481 3.117 50 0 BGAALN O=c1oc2ccccc2c(O)c1-c1ccccc1 ZINC000100051807 187290509 /nfs/dbraw/zinc/29/05/09/187290509.db2.gz CBHMYFPBBDCWSY-UHFFFAOYSA-N 0 2 238.242 3.166 50 0 BGAALN CC(C(=O)c1ccccc1)=C(O)c1ccccc1 ZINC000100084065 385674493 /nfs/dbraw/zinc/67/44/93/385674493.db2.gz ONGBXISBKSVVFS-UHFFFAOYSA-N 0 2 238.286 3.388 50 0 BGAALN Oc1c(Cl)cc(Cl)cc1-c1ccno1 ZINC000100139354 384618724 /nfs/dbraw/zinc/61/87/24/384618724.db2.gz NWTXPEMLVWSELN-UHFFFAOYSA-N 0 2 230.050 3.354 50 0 BGAALN CC(C)(C)n1[nH]c(-c2ccccc2)cc1=O ZINC000100241338 384625788 /nfs/dbraw/zinc/62/57/88/384625788.db2.gz MZVBKACNIITAMX-UHFFFAOYSA-N 0 2 216.284 3.011 50 0 BGAALN O=C1CC(c2ccccc2)=NN1c1ccccc1 ZINC000100431224 183256714 /nfs/dbraw/zinc/25/67/14/183256714.db2.gz BWLTYPQWNLIJTE-UHFFFAOYSA-N 0 2 236.274 3.245 50 0 BGAALN O=C(C=C(O)c1cccc2ccccc21)C(F)F ZINC000100497206 487945891 /nfs/dbraw/zinc/94/58/91/487945891.db2.gz JOTMPSMKROWDEZ-UHFFFAOYSA-N 0 2 248.228 3.247 50 0 BGAALN COc1ccc2cc(C(O)=CC(C)=O)ccc2c1 ZINC000100770016 175223978 /nfs/dbraw/zinc/22/39/78/175223978.db2.gz HGXDFGVHMYOSDC-UHFFFAOYSA-N 0 2 242.274 3.010 50 0 in-vitro BGAALN O=C(C=C(O)c1ccc(F)cc1)c1ccccc1 ZINC000101786019 181880447 /nfs/dbraw/zinc/88/04/47/181880447.db2.gz HLALCCQJLSROMO-UHFFFAOYSA-N 0 2 242.249 3.281 50 0 BGAALN Cc1ccc(C(O)=CC(=O)C(C)(C)C)s1 ZINC000106363794 582459695 /nfs/dbraw/zinc/45/96/95/582459695.db2.gz OILFTDAJEOZLHC-UHFFFAOYSA-N 0 2 224.325 3.245 50 0 BGAALN Oc1ccc(OCc2ccccc2)cc1S ZINC000118105136 370993777 /nfs/dbraw/zinc/99/37/77/370993777.db2.gz ZVTXBVHMXXIZNA-UHFFFAOYSA-N 0 2 232.304 3.260 50 0 BGAALN Oc1c(Cl)cc(OC(F)F)cc1Cl ZINC000141007693 349160678 /nfs/dbraw/zinc/16/06/78/349160678.db2.gz JWNZFNSHZOYKQH-UHFFFAOYSA-N 0 2 229.009 3.300 50 0 BGAALN Oc1c(Cl)ccc(OC(F)F)c1Cl ZINC000263623303 188020116 /nfs/dbraw/zinc/02/01/16/188020116.db2.gz GILYCNKTFNARSB-UHFFFAOYSA-N 0 2 229.009 3.300 50 0 BGAALN Oc1cc(Br)cc(Cl)c1Cl ZINC000263624855 183256727 /nfs/dbraw/zinc/25/67/27/183256727.db2.gz USLAKFKYMZGLHT-UHFFFAOYSA-N 0 2 241.899 3.462 50 0 BGAALN CCCCc1[nH]c(C[N@H+](C)CC2CCCC2)c[nH+]1 ZINC000670437238 491105278 /nfs/dbraw/zinc/10/52/78/491105278.db2.gz KKZABZRAZKSLCE-UHFFFAOYSA-N 0 2 249.402 3.374 50 0 BGAALN